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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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/raiA_ncRNA-12341df5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/raiA_ncRNA-12341df5/inputs/seq.fa: 1
curr_seq: _GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUUAAGUUAGGUUUGUGGUUGAAAGUCGAUGCCAGUCGCAGGCAAAACGAUCCACGUAAGUUAAACAAAGUUUUAAUGAGCAUGGUGCGGCUUAGAAGUAAGUCCUGCCGCUUUAGGCGAGAGUAUUAGUAGUGAGAGGGUAAUUCCGGGUAGCGAAACUUCCAGCAGGCGAGUGUGGGGUCAAAGACCAGGUCAACUAACUUA
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 205 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: 1030
n_atoms_counter: 1030
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 205.000000 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: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 1
Temperature: 1.100000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 1
Temperature: 1.250000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -816.390549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390549 (E_RNA)
where:
Base-Base interactions energy: -18.492
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.000
local terms energy: -797.897909
where:
bonds (distance) C4'-P energy: -199.173
bonds (distance) P-C4' energy: -184.298
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -172.174
tors. eta vs tors. theta energy: -91.736
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: 2
Temperature: 0.900000
Total energy: -986.355636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.355636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.355636 (E_RNA)
where:
Base-Base interactions energy: -405.073
where: short stacking energy: -403.590
Base-Backbone interact. energy: 0.986
local terms energy: -582.269349
where:
bonds (distance) C4'-P energy: -127.639
bonds (distance) P-C4' energy: -139.146
flat angles C4'-P-C4' energy: -129.099
flat angles P-C4'-P energy: -86.333
tors. eta vs tors. theta energy: -100.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -942.034891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.034891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.034891 (E_RNA)
where:
Base-Base interactions energy: -371.065
where: short stacking energy: -370.078
Base-Backbone interact. energy: -0.452
local terms energy: -570.517249
where:
bonds (distance) C4'-P energy: -128.829
bonds (distance) P-C4' energy: -142.452
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -83.009
tors. eta vs tors. theta energy: -93.124
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -881.481724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.481724 (E_RNA)
where:
Base-Base interactions energy: -364.296
where: short stacking energy: -354.218
Base-Backbone interact. energy: 0.469
local terms energy: -517.654758
where:
bonds (distance) C4'-P energy: -125.539
bonds (distance) P-C4' energy: -130.364
flat angles C4'-P-C4' energy: -119.995
flat angles P-C4'-P energy: -59.368
tors. eta vs tors. theta energy: -82.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -851.461609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.461609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.461609 (E_RNA)
where:
Base-Base interactions energy: -340.667
where: short stacking energy: -335.377
Base-Backbone interact. energy: -0.270
local terms energy: -510.524550
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -123.533
flat angles C4'-P-C4' energy: -116.813
flat angles P-C4'-P energy: -70.470
tors. eta vs tors. theta energy: -74.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -830.647388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.647388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.647388 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -126.125
Base-Backbone interact. energy: -0.000
local terms energy: -704.521649
where:
bonds (distance) C4'-P energy: -151.122
bonds (distance) P-C4' energy: -136.207
flat angles C4'-P-C4' energy: -154.756
flat angles P-C4'-P energy: -159.830
tors. eta vs tors. theta energy: -102.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -832.007481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.007481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.007481 (E_RNA)
where:
Base-Base interactions energy: -94.923
where: short stacking energy: -94.923
Base-Backbone interact. energy: -0.000
local terms energy: -737.084482
where:
bonds (distance) C4'-P energy: -174.989
bonds (distance) P-C4' energy: -145.602
flat angles C4'-P-C4' energy: -153.468
flat angles P-C4'-P energy: -161.992
tors. eta vs tors. theta energy: -101.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -843.153755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.153755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.153755 (E_RNA)
where:
Base-Base interactions energy: -92.097
where: short stacking energy: -92.097
Base-Backbone interact. energy: -0.000
local terms energy: -751.056949
where:
bonds (distance) C4'-P energy: -171.020
bonds (distance) P-C4' energy: -165.388
flat angles C4'-P-C4' energy: -150.986
flat angles P-C4'-P energy: -164.730
tors. eta vs tors. theta energy: -98.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -832.289597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.289597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.289597 (E_RNA)
where:
Base-Base interactions energy: -72.932
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.000
local terms energy: -759.357006
where:
bonds (distance) C4'-P energy: -176.420
bonds (distance) P-C4' energy: -166.688
flat angles C4'-P-C4' energy: -152.052
flat angles P-C4'-P energy: -166.801
tors. eta vs tors. theta energy: -97.397
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -836.153111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.153111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.153111 (E_RNA)
where:
Base-Base interactions energy: -93.795
where: short stacking energy: -93.795
Base-Backbone interact. energy: -0.000
local terms energy: -742.358225
where:
bonds (distance) C4'-P energy: -171.920
bonds (distance) P-C4' energy: -154.223
flat angles C4'-P-C4' energy: -154.903
flat angles P-C4'-P energy: -164.611
tors. eta vs tors. theta energy: -96.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -829.789765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.789765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.789765 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -107.423
Base-Backbone interact. energy: -0.000
local terms energy: -722.366323
where:
bonds (distance) C4'-P energy: -170.792
bonds (distance) P-C4' energy: -144.305
flat angles C4'-P-C4' energy: -149.147
flat angles P-C4'-P energy: -160.330
tors. eta vs tors. theta energy: -97.792
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1010.714197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.714197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.714197 (E_RNA)
where:
Base-Base interactions energy: -445.535
where: short stacking energy: -429.777
Base-Backbone interact. energy: -0.834
local terms energy: -564.344997
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -127.081
flat angles C4'-P-C4' energy: -119.911
flat angles P-C4'-P energy: -84.048
tors. eta vs tors. theta energy: -108.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -992.280508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.280508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.280508 (E_RNA)
where:
Base-Base interactions energy: -448.274
where: short stacking energy: -426.300
Base-Backbone interact. energy: -1.137
local terms energy: -542.869278
where:
bonds (distance) C4'-P energy: -134.239
bonds (distance) P-C4' energy: -120.727
flat angles C4'-P-C4' energy: -120.233
flat angles P-C4'-P energy: -71.290
tors. eta vs tors. theta energy: -96.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -903.770306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.770306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.770306 (E_RNA)
where:
Base-Base interactions energy: -376.409
where: short stacking energy: -373.147
Base-Backbone interact. energy: 1.714
local terms energy: -529.075322
where:
bonds (distance) C4'-P energy: -116.164
bonds (distance) P-C4' energy: -135.528
flat angles C4'-P-C4' energy: -128.819
flat angles P-C4'-P energy: -76.682
tors. eta vs tors. theta energy: -71.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -826.662590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.662590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.662590 (E_RNA)
where:
Base-Base interactions energy: -353.226
where: short stacking energy: -335.402
Base-Backbone interact. energy: -0.952
local terms energy: -472.483973
where:
bonds (distance) C4'-P energy: -116.596
bonds (distance) P-C4' energy: -111.483
flat angles C4'-P-C4' energy: -110.375
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: -63.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -747.492553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.492553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.492553 (E_RNA)
where:
Base-Base interactions energy: -317.558
where: short stacking energy: -293.095
Base-Backbone interact. energy: -0.594
local terms energy: -429.340676
where:
bonds (distance) C4'-P energy: -113.941
bonds (distance) P-C4' energy: -115.279
flat angles C4'-P-C4' energy: -100.902
flat angles P-C4'-P energy: -69.540
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -705.291351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.291351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.291351 (E_RNA)
where:
Base-Base interactions energy: -259.081
where: short stacking energy: -250.511
Base-Backbone interact. energy: -0.628
local terms energy: -445.582858
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -109.702
flat angles C4'-P-C4' energy: -108.650
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -36.580
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -636.902893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.902893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.902893 (E_RNA)
where:
Base-Base interactions energy: -261.778
where: short stacking energy: -233.422
Base-Backbone interact. energy: -1.574
local terms energy: -373.551430
where:
bonds (distance) C4'-P energy: -100.839
bonds (distance) P-C4' energy: -101.507
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -50.719
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -588.967496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.967496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.967496 (E_RNA)
where:
Base-Base interactions energy: -235.322
where: short stacking energy: -181.180
Base-Backbone interact. energy: -1.938
local terms energy: -351.708146
where:
bonds (distance) C4'-P energy: -101.594
bonds (distance) P-C4' energy: -113.528
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: 11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -538.941823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.941823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.941823 (E_RNA)
where:
Base-Base interactions energy: -216.440
where: short stacking energy: -164.979
Base-Backbone interact. energy: -1.221
local terms energy: -321.280696
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -110.280
flat angles C4'-P-C4' energy: -86.384
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: 18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -507.733480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.733480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.733480 (E_RNA)
where:
Base-Base interactions energy: -225.866
where: short stacking energy: -170.662
Base-Backbone interact. energy: 1.300
local terms energy: -283.166581
where:
bonds (distance) C4'-P energy: -90.611
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -37.706
tors. eta vs tors. theta energy: 23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1094.535587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.535587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.535587 (E_RNA)
where:
Base-Base interactions energy: -503.012
where: short stacking energy: -423.138
Base-Backbone interact. energy: -1.067
local terms energy: -590.456965
where:
bonds (distance) C4'-P energy: -130.136
bonds (distance) P-C4' energy: -135.110
flat angles C4'-P-C4' energy: -138.833
flat angles P-C4'-P energy: -75.920
tors. eta vs tors. theta energy: -110.458
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1042.701626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.701626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.701626 (E_RNA)
where:
Base-Base interactions energy: -474.151
where: short stacking energy: -405.715
Base-Backbone interact. energy: -1.005
local terms energy: -567.546397
where:
bonds (distance) C4'-P energy: -132.229
bonds (distance) P-C4' energy: -134.015
flat angles C4'-P-C4' energy: -127.904
flat angles P-C4'-P energy: -73.078
tors. eta vs tors. theta energy: -100.321
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -961.149308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.149308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.149308 (E_RNA)
where:
Base-Base interactions energy: -457.300
where: short stacking energy: -375.989
Base-Backbone interact. energy: -1.456
local terms energy: -502.393395
where:
bonds (distance) C4'-P energy: -102.546
bonds (distance) P-C4' energy: -117.229
flat angles C4'-P-C4' energy: -131.679
flat angles P-C4'-P energy: -79.092
tors. eta vs tors. theta energy: -71.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -878.560269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.560269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.560269 (E_RNA)
where:
Base-Base interactions energy: -388.305
where: short stacking energy: -328.610
Base-Backbone interact. energy: -1.452
local terms energy: -488.803752
where:
bonds (distance) C4'-P energy: -122.915
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -118.877
flat angles P-C4'-P energy: -65.375
tors. eta vs tors. theta energy: -59.271
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -808.516452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.516452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.516452 (E_RNA)
where:
Base-Base interactions energy: -328.419
where: short stacking energy: -323.207
Base-Backbone interact. energy: -0.765
local terms energy: -479.332003
where:
bonds (distance) C4'-P energy: -112.127
bonds (distance) P-C4' energy: -120.365
flat angles C4'-P-C4' energy: -116.936
flat angles P-C4'-P energy: -69.523
tors. eta vs tors. theta energy: -60.380
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -691.660151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.660151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.660151 (E_RNA)
where:
Base-Base interactions energy: -270.501
where: short stacking energy: -253.620
Base-Backbone interact. energy: 0.711
local terms energy: -421.869611
where:
bonds (distance) C4'-P energy: -102.928
bonds (distance) P-C4' energy: -129.750
flat angles C4'-P-C4' energy: -96.054
flat angles P-C4'-P energy: -61.270
tors. eta vs tors. theta energy: -31.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -634.904397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.904397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.904397 (E_RNA)
where:
Base-Base interactions energy: -260.976
where: short stacking energy: -215.812
Base-Backbone interact. energy: -1.709
local terms energy: -372.219129
where:
bonds (distance) C4'-P energy: -105.756
bonds (distance) P-C4' energy: -115.173
flat angles C4'-P-C4' energy: -90.144
flat angles P-C4'-P energy: -49.801
tors. eta vs tors. theta energy: -11.345
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -596.563530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.563530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.563530 (E_RNA)
where:
Base-Base interactions energy: -229.183
where: short stacking energy: -208.523
Base-Backbone interact. energy: 2.235
local terms energy: -369.615286
where:
bonds (distance) C4'-P energy: -107.379
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -90.475
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: -8.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -537.194577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.194577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.194577 (E_RNA)
where:
Base-Base interactions energy: -195.398
where: short stacking energy: -155.795
Base-Backbone interact. energy: 6.754
local terms energy: -348.550069
where:
bonds (distance) C4'-P energy: -107.444
bonds (distance) P-C4' energy: -111.276
flat angles C4'-P-C4' energy: -83.738
flat angles P-C4'-P energy: -59.153
tors. eta vs tors. theta energy: 13.061
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -544.515457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.515457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.515457 (E_RNA)
where:
Base-Base interactions energy: -168.548
where: short stacking energy: -145.767
Base-Backbone interact. energy: -1.733
local terms energy: -374.234069
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -116.761
flat angles C4'-P-C4' energy: -96.437
flat angles P-C4'-P energy: -59.780
tors. eta vs tors. theta energy: 6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1124.915265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.915265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.915265 (E_RNA)
where:
Base-Base interactions energy: -535.823
where: short stacking energy: -465.418
Base-Backbone interact. energy: -0.375
local terms energy: -588.717101
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -138.781
flat angles C4'-P-C4' energy: -124.700
flat angles P-C4'-P energy: -91.342
tors. eta vs tors. theta energy: -115.485
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1019.105772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.105772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.105772 (E_RNA)
where:
Base-Base interactions energy: -501.874
where: short stacking energy: -389.195
Base-Backbone interact. energy: 2.107
local terms energy: -519.339024
where:
bonds (distance) C4'-P energy: -120.711
bonds (distance) P-C4' energy: -128.799
flat angles C4'-P-C4' energy: -115.878
flat angles P-C4'-P energy: -79.907
tors. eta vs tors. theta energy: -74.043
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: 5
Temperature: 1.000000
Total energy: -933.986737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.986737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.986737 (E_RNA)
where:
Base-Base interactions energy: -413.018
where: short stacking energy: -373.969
Base-Backbone interact. energy: -0.954
local terms energy: -520.014567
where:
bonds (distance) C4'-P energy: -114.303
bonds (distance) P-C4' energy: -123.619
flat angles C4'-P-C4' energy: -122.469
flat angles P-C4'-P energy: -71.631
tors. eta vs tors. theta energy: -87.994
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -905.848398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.848398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.848398 (E_RNA)
where:
Base-Base interactions energy: -433.783
where: short stacking energy: -317.775
Base-Backbone interact. energy: -2.201
local terms energy: -469.864374
where:
bonds (distance) C4'-P energy: -114.723
bonds (distance) P-C4' energy: -124.306
flat angles C4'-P-C4' energy: -106.753
flat angles P-C4'-P energy: -54.499
tors. eta vs tors. theta energy: -69.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -820.647168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.647168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.647168 (E_RNA)
where:
Base-Base interactions energy: -379.599
where: short stacking energy: -279.202
Base-Backbone interact. energy: -0.179
local terms energy: -440.869121
where:
bonds (distance) C4'-P energy: -99.294
bonds (distance) P-C4' energy: -120.334
flat angles C4'-P-C4' energy: -123.879
flat angles P-C4'-P energy: -63.570
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -745.471173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.471173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.471173 (E_RNA)
where:
Base-Base interactions energy: -319.512
where: short stacking energy: -257.293
Base-Backbone interact. energy: -2.962
local terms energy: -422.996523
where:
bonds (distance) C4'-P energy: -100.832
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -102.400
flat angles P-C4'-P energy: -65.239
tors. eta vs tors. theta energy: -29.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -701.666533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.666533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.666533 (E_RNA)
where:
Base-Base interactions energy: -306.846
where: short stacking energy: -212.356
Base-Backbone interact. energy: 1.351
local terms energy: -396.172234
where:
bonds (distance) C4'-P energy: -101.501
bonds (distance) P-C4' energy: -130.301
flat angles C4'-P-C4' energy: -101.649
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -652.534719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.534719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.534719 (E_RNA)
where:
Base-Base interactions energy: -244.899
where: short stacking energy: -198.596
Base-Backbone interact. energy: 3.620
local terms energy: -411.256147
where:
bonds (distance) C4'-P energy: -117.748
bonds (distance) P-C4' energy: -100.501
flat angles C4'-P-C4' energy: -95.987
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -582.023314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.023314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.023314 (E_RNA)
where:
Base-Base interactions energy: -212.435
where: short stacking energy: -187.005
Base-Backbone interact. energy: -0.312
local terms energy: -369.276328
where:
bonds (distance) C4'-P energy: -112.143
bonds (distance) P-C4' energy: -111.205
flat angles C4'-P-C4' energy: -94.188
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -554.324320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.324320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.324320 (E_RNA)
where:
Base-Base interactions energy: -210.549
where: short stacking energy: -148.441
Base-Backbone interact. energy: 8.582
local terms energy: -352.357569
where:
bonds (distance) C4'-P energy: -103.948
bonds (distance) P-C4' energy: -115.136
flat angles C4'-P-C4' energy: -98.518
flat angles P-C4'-P energy: -54.427
tors. eta vs tors. theta energy: 19.671
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1140.372784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.372784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.372784 (E_RNA)
where:
Base-Base interactions energy: -560.775
where: short stacking energy: -431.903
Base-Backbone interact. energy: -1.115
local terms energy: -578.482945
where:
bonds (distance) C4'-P energy: -118.660
bonds (distance) P-C4' energy: -138.924
flat angles C4'-P-C4' energy: -137.546
flat angles P-C4'-P energy: -88.651
tors. eta vs tors. theta energy: -94.702
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1101.283293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.283293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.283293 (E_RNA)
where:
Base-Base interactions energy: -531.992
where: short stacking energy: -436.166
Base-Backbone interact. energy: 0.287
local terms energy: -569.578141
where:
bonds (distance) C4'-P energy: -123.817
bonds (distance) P-C4' energy: -134.281
flat angles C4'-P-C4' energy: -122.301
flat angles P-C4'-P energy: -77.636
tors. eta vs tors. theta energy: -111.543
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -958.650640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.650640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.650640 (E_RNA)
where:
Base-Base interactions energy: -436.707
where: short stacking energy: -355.948
Base-Backbone interact. energy: 1.131
local terms energy: -523.075020
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -125.306
flat angles C4'-P-C4' energy: -121.496
flat angles P-C4'-P energy: -76.551
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1018.599404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.599404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.599404 (E_RNA)
where:
Base-Base interactions energy: -556.771
where: short stacking energy: -335.384
Base-Backbone interact. energy: -2.662
local terms energy: -459.166429
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -115.189
flat angles C4'-P-C4' energy: -117.167
flat angles P-C4'-P energy: -55.487
tors. eta vs tors. theta energy: -60.047
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: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -819.732400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.732400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.732400 (E_RNA)
where:
Base-Base interactions energy: -383.604
where: short stacking energy: -290.504
Base-Backbone interact. energy: 1.785
local terms energy: -437.912591
where:
bonds (distance) C4'-P energy: -106.867
bonds (distance) P-C4' energy: -118.551
flat angles C4'-P-C4' energy: -105.829
flat angles P-C4'-P energy: -61.348
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -810.841425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.841425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.841425 (E_RNA)
where:
Base-Base interactions energy: -359.537
where: short stacking energy: -233.398
Base-Backbone interact. energy: 0.049
local terms energy: -451.353219
where:
bonds (distance) C4'-P energy: -116.333
bonds (distance) P-C4' energy: -132.231
flat angles C4'-P-C4' energy: -101.379
flat angles P-C4'-P energy: -70.966
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -690.183341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.183341 (E_RNA)
where:
Base-Base interactions energy: -268.928
where: short stacking energy: -203.132
Base-Backbone interact. energy: -2.933
local terms energy: -418.322606
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -109.619
flat angles C4'-P-C4' energy: -111.809
flat angles P-C4'-P energy: -75.908
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -665.320870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.320870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.320870 (E_RNA)
where:
Base-Base interactions energy: -296.962
where: short stacking energy: -192.328
Base-Backbone interact. energy: 5.556
local terms energy: -373.914544
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -104.980
flat angles C4'-P-C4' energy: -99.226
flat angles P-C4'-P energy: -68.765
tors. eta vs tors. theta energy: 3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -611.299984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.299984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.299984 (E_RNA)
where:
Base-Base interactions energy: -265.361
where: short stacking energy: -179.608
Base-Backbone interact. energy: -2.143
local terms energy: -343.795074
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -103.376
flat angles C4'-P-C4' energy: -93.329
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: 10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -486.795429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.795429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.795429 (E_RNA)
where:
Base-Base interactions energy: -166.816
where: short stacking energy: -139.115
Base-Backbone interact. energy: 5.744
local terms energy: -325.723063
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -104.633
flat angles C4'-P-C4' energy: -79.269
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: 18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1186.222024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.222024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.222024 (E_RNA)
where:
Base-Base interactions energy: -611.706
where: short stacking energy: -477.903
Base-Backbone interact. energy: -3.553
local terms energy: -570.963688
where:
bonds (distance) C4'-P energy: -116.403
bonds (distance) P-C4' energy: -132.816
flat angles C4'-P-C4' energy: -133.086
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -105.560
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1082.835376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.835376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.835376 (E_RNA)
where:
Base-Base interactions energy: -519.287
where: short stacking energy: -430.583
Base-Backbone interact. energy: -1.113
local terms energy: -562.434581
where:
bonds (distance) C4'-P energy: -126.744
bonds (distance) P-C4' energy: -125.757
flat angles C4'-P-C4' energy: -137.265
flat angles P-C4'-P energy: -69.608
tors. eta vs tors. theta energy: -103.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -990.991337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.991337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.991337 (E_RNA)
where:
Base-Base interactions energy: -477.215
where: short stacking energy: -392.025
Base-Backbone interact. energy: 3.092
local terms energy: -516.868350
where:
bonds (distance) C4'-P energy: -106.036
bonds (distance) P-C4' energy: -117.404
flat angles C4'-P-C4' energy: -124.144
flat angles P-C4'-P energy: -79.925
tors. eta vs tors. theta energy: -89.360
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1015.487640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.487640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.487640 (E_RNA)
where:
Base-Base interactions energy: -539.887
where: short stacking energy: -331.752
Base-Backbone interact. energy: -1.713
local terms energy: -473.887114
where:
bonds (distance) C4'-P energy: -119.915
bonds (distance) P-C4' energy: -103.967
flat angles C4'-P-C4' energy: -119.582
flat angles P-C4'-P energy: -66.915
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -871.576771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.576771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.576771 (E_RNA)
where:
Base-Base interactions energy: -438.215
where: short stacking energy: -313.115
Base-Backbone interact. energy: -2.042
local terms energy: -431.320010
where:
bonds (distance) C4'-P energy: -97.829
bonds (distance) P-C4' energy: -106.786
flat angles C4'-P-C4' energy: -110.148
flat angles P-C4'-P energy: -62.360
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: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -813.849309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.849309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.849309 (E_RNA)
where:
Base-Base interactions energy: -377.755
where: short stacking energy: -289.143
Base-Backbone interact. energy: -2.755
local terms energy: -433.339215
where:
bonds (distance) C4'-P energy: -108.867
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -110.915
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -37.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -720.611317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.611317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.611317 (E_RNA)
where:
Base-Base interactions energy: -329.379
where: short stacking energy: -226.051
Base-Backbone interact. energy: 3.638
local terms energy: -394.869851
where:
bonds (distance) C4'-P energy: -113.178
bonds (distance) P-C4' energy: -114.728
flat angles C4'-P-C4' energy: -92.387
flat angles P-C4'-P energy: -57.549
tors. eta vs tors. theta energy: -17.027
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: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -641.717137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.717137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.717137 (E_RNA)
where:
Base-Base interactions energy: -275.200
where: short stacking energy: -175.188
Base-Backbone interact. energy: -2.023
local terms energy: -364.493721
where:
bonds (distance) C4'-P energy: -113.405
bonds (distance) P-C4' energy: -113.190
flat angles C4'-P-C4' energy: -98.894
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -613.502874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.502874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.502874 (E_RNA)
where:
Base-Base interactions energy: -268.722
where: short stacking energy: -188.210
Base-Backbone interact. energy: 1.826
local terms energy: -346.607455
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -88.816
flat angles C4'-P-C4' energy: -90.482
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -495.970506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.970506 (E_RNA)
where:
Base-Base interactions energy: -177.759
where: short stacking energy: -141.523
Base-Backbone interact. energy: 1.419
local terms energy: -319.630444
where:
bonds (distance) C4'-P energy: -102.469
bonds (distance) P-C4' energy: -119.128
flat angles C4'-P-C4' energy: -79.883
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: 21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1243.314479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.314479 (E_RNA)
where:
Base-Base interactions energy: -628.924
where: short stacking energy: -442.509
Base-Backbone interact. energy: -1.697
local terms energy: -612.693492
where:
bonds (distance) C4'-P energy: -135.575
bonds (distance) P-C4' energy: -139.031
flat angles C4'-P-C4' energy: -135.982
flat angles P-C4'-P energy: -79.412
tors. eta vs tors. theta energy: -122.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1092.398107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.398107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.398107 (E_RNA)
where:
Base-Base interactions energy: -536.297
where: short stacking energy: -421.680
Base-Backbone interact. energy: -0.087
local terms energy: -556.013722
where:
bonds (distance) C4'-P energy: -116.078
bonds (distance) P-C4' energy: -129.916
flat angles C4'-P-C4' energy: -127.248
flat angles P-C4'-P energy: -86.226
tors. eta vs tors. theta energy: -96.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1007.809881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.809881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.809881 (E_RNA)
where:
Base-Base interactions energy: -476.387
where: short stacking energy: -391.633
Base-Backbone interact. energy: -3.357
local terms energy: -528.066238
where:
bonds (distance) C4'-P energy: -104.652
bonds (distance) P-C4' energy: -131.084
flat angles C4'-P-C4' energy: -134.087
flat angles P-C4'-P energy: -68.725
tors. eta vs tors. theta energy: -89.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1099.108610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.108610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.108610 (E_RNA)
where:
Base-Base interactions energy: -615.183
where: short stacking energy: -353.309
Base-Backbone interact. energy: -3.509
local terms energy: -480.416920
where:
bonds (distance) C4'-P energy: -108.712
bonds (distance) P-C4' energy: -125.957
flat angles C4'-P-C4' energy: -111.243
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -983.876734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.876734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.876734 (E_RNA)
where:
Base-Base interactions energy: -535.194
where: short stacking energy: -351.531
Base-Backbone interact. energy: -0.125
local terms energy: -448.557379
where:
bonds (distance) C4'-P energy: -101.246
bonds (distance) P-C4' energy: -124.040
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -40.725
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: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -832.568651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.568651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.568651 (E_RNA)
where:
Base-Base interactions energy: -404.448
where: short stacking energy: -268.777
Base-Backbone interact. energy: 2.454
local terms energy: -430.574628
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -119.802
flat angles C4'-P-C4' energy: -103.872
flat angles P-C4'-P energy: -62.689
tors. eta vs tors. theta energy: -29.280
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: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -784.876808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.876808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.876808 (E_RNA)
where:
Base-Base interactions energy: -411.884
where: short stacking energy: -260.469
Base-Backbone interact. energy: -3.943
local terms energy: -369.049518
where:
bonds (distance) C4'-P energy: -88.172
bonds (distance) P-C4' energy: -101.533
flat angles C4'-P-C4' energy: -106.576
flat angles P-C4'-P energy: -59.322
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -602.472316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.472316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.472316 (E_RNA)
where:
Base-Base interactions energy: -255.045
where: short stacking energy: -182.160
Base-Backbone interact. energy: -2.305
local terms energy: -345.121352
where:
bonds (distance) C4'-P energy: -87.592
bonds (distance) P-C4' energy: -116.285
flat angles C4'-P-C4' energy: -99.527
flat angles P-C4'-P energy: -66.044
tors. eta vs tors. theta energy: 24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -592.900854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.900854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.900854 (E_RNA)
where:
Base-Base interactions energy: -270.469
where: short stacking energy: -201.065
Base-Backbone interact. energy: -2.373
local terms energy: -320.058979
where:
bonds (distance) C4'-P energy: -87.727
bonds (distance) P-C4' energy: -98.146
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -54.810
tors. eta vs tors. theta energy: 18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -479.281384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.281384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.281384 (E_RNA)
where:
Base-Base interactions energy: -141.405
where: short stacking energy: -126.672
Base-Backbone interact. energy: 0.235
local terms energy: -338.111746
where:
bonds (distance) C4'-P energy: -109.075
bonds (distance) P-C4' energy: -110.806
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -57.563
tors. eta vs tors. theta energy: 27.932
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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1266.099465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.099465 (E_RNA)
where:
Base-Base interactions energy: -648.385
where: short stacking energy: -481.721
Base-Backbone interact. energy: -2.125
local terms energy: -615.589537
where:
bonds (distance) C4'-P energy: -130.900
bonds (distance) P-C4' energy: -133.729
flat angles C4'-P-C4' energy: -142.578
flat angles P-C4'-P energy: -86.592
tors. eta vs tors. theta energy: -121.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1134.398289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.398289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.398289 (E_RNA)
where:
Base-Base interactions energy: -595.885
where: short stacking energy: -361.660
Base-Backbone interact. energy: -0.651
local terms energy: -537.862822
where:
bonds (distance) C4'-P energy: -130.276
bonds (distance) P-C4' energy: -135.678
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -78.779
tors. eta vs tors. theta energy: -81.950
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1058.524708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.524708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.524708 (E_RNA)
where:
Base-Base interactions energy: -521.984
where: short stacking energy: -408.662
Base-Backbone interact. energy: -2.860
local terms energy: -533.680125
where:
bonds (distance) C4'-P energy: -117.833
bonds (distance) P-C4' energy: -124.154
flat angles C4'-P-C4' energy: -130.479
flat angles P-C4'-P energy: -63.404
tors. eta vs tors. theta energy: -97.810
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: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1065.741275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.741275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.741275 (E_RNA)
where:
Base-Base interactions energy: -573.551
where: short stacking energy: -355.055
Base-Backbone interact. energy: -1.618
local terms energy: -490.572226
where:
bonds (distance) C4'-P energy: -121.254
bonds (distance) P-C4' energy: -119.683
flat angles C4'-P-C4' energy: -117.626
flat angles P-C4'-P energy: -67.257
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: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -969.615929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.615929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.615929 (E_RNA)
where:
Base-Base interactions energy: -509.771
where: short stacking energy: -304.349
Base-Backbone interact. energy: 0.918
local terms energy: -460.762465
where:
bonds (distance) C4'-P energy: -112.944
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -118.142
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -36.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -812.430446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.430446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.430446 (E_RNA)
where:
Base-Base interactions energy: -389.326
where: short stacking energy: -232.061
Base-Backbone interact. energy: 0.384
local terms energy: -423.488059
where:
bonds (distance) C4'-P energy: -111.715
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -103.340
flat angles P-C4'-P energy: -74.712
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -789.384324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.384324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.384324 (E_RNA)
where:
Base-Base interactions energy: -388.865
where: short stacking energy: -268.293
Base-Backbone interact. energy: -0.730
local terms energy: -399.789722
where:
bonds (distance) C4'-P energy: -123.721
bonds (distance) P-C4' energy: -100.413
flat angles C4'-P-C4' energy: -105.503
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -28.468
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -662.782019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.782019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.782019 (E_RNA)
where:
Base-Base interactions energy: -259.797
where: short stacking energy: -191.163
Base-Backbone interact. energy: -1.054
local terms energy: -401.931367
where:
bonds (distance) C4'-P energy: -112.794
bonds (distance) P-C4' energy: -118.858
flat angles C4'-P-C4' energy: -107.116
flat angles P-C4'-P energy: -56.894
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -544.045531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.045531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.045531 (E_RNA)
where:
Base-Base interactions energy: -216.837
where: short stacking energy: -178.163
Base-Backbone interact. energy: 1.635
local terms energy: -328.842913
where:
bonds (distance) C4'-P energy: -115.580
bonds (distance) P-C4' energy: -107.979
flat angles C4'-P-C4' energy: -65.019
flat angles P-C4'-P energy: -52.627
tors. eta vs tors. theta energy: 12.362
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: 9
Temperature: 1.350000
Total energy: -527.249846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.249846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.249846 (E_RNA)
where:
Base-Base interactions energy: -187.606
where: short stacking energy: -154.473
Base-Backbone interact. energy: 1.252
local terms energy: -340.896579
where:
bonds (distance) C4'-P energy: -109.057
bonds (distance) P-C4' energy: -114.620
flat angles C4'-P-C4' energy: -87.055
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: 22.788
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: 10
Temperature: 0.900000
Total energy: -1258.434881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.434881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.434881 (E_RNA)
where:
Base-Base interactions energy: -636.927
where: short stacking energy: -468.949
Base-Backbone interact. energy: 0.599
local terms energy: -622.106323
where:
bonds (distance) C4'-P energy: -131.385
bonds (distance) P-C4' energy: -136.473
flat angles C4'-P-C4' energy: -142.599
flat angles P-C4'-P energy: -89.231
tors. eta vs tors. theta energy: -122.419
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1255.351684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.351684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.351684 (E_RNA)
where:
Base-Base interactions energy: -712.257
where: short stacking energy: -429.851
Base-Backbone interact. energy: -1.664
local terms energy: -541.430435
where:
bonds (distance) C4'-P energy: -108.891
bonds (distance) P-C4' energy: -130.315
flat angles C4'-P-C4' energy: -136.857
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -82.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1193.854809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.854809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.854809 (E_RNA)
where:
Base-Base interactions energy: -676.347
where: short stacking energy: -396.604
Base-Backbone interact. energy: -0.891
local terms energy: -516.617427
where:
bonds (distance) C4'-P energy: -123.160
bonds (distance) P-C4' energy: -120.190
flat angles C4'-P-C4' energy: -128.661
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -78.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -964.504268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.504268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.504268 (E_RNA)
where:
Base-Base interactions energy: -459.911
where: short stacking energy: -316.060
Base-Backbone interact. energy: -1.019
local terms energy: -503.574843
where:
bonds (distance) C4'-P energy: -119.305
bonds (distance) P-C4' energy: -128.959
flat angles C4'-P-C4' energy: -139.865
flat angles P-C4'-P energy: -61.453
tors. eta vs tors. theta energy: -53.995
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: 10
Temperature: 1.100000
Total energy: -922.795441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.795441 (E_RNA)
where:
Base-Base interactions energy: -470.130
where: short stacking energy: -278.257
Base-Backbone interact. energy: -0.180
local terms energy: -452.484581
where:
bonds (distance) C4'-P energy: -121.319
bonds (distance) P-C4' energy: -111.947
flat angles C4'-P-C4' energy: -113.989
flat angles P-C4'-P energy: -65.951
tors. eta vs tors. theta energy: -39.278
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: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -911.195578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.195578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.195578 (E_RNA)
where:
Base-Base interactions energy: -478.137
where: short stacking energy: -310.326
Base-Backbone interact. energy: -1.376
local terms energy: -431.681970
where:
bonds (distance) C4'-P energy: -99.568
bonds (distance) P-C4' energy: -119.115
flat angles C4'-P-C4' energy: -88.279
flat angles P-C4'-P energy: -78.537
tors. eta vs tors. theta energy: -46.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -809.773268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.773268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.773268 (E_RNA)
where:
Base-Base interactions energy: -411.497
where: short stacking energy: -246.035
Base-Backbone interact. energy: -3.199
local terms energy: -395.077363
where:
bonds (distance) C4'-P energy: -118.275
bonds (distance) P-C4' energy: -102.603
flat angles C4'-P-C4' energy: -103.341
flat angles P-C4'-P energy: -50.391
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -634.390572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.390572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.390572 (E_RNA)
where:
Base-Base interactions energy: -264.750
where: short stacking energy: -194.560
Base-Backbone interact. energy: -1.372
local terms energy: -368.268154
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -104.012
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -64.771
tors. eta vs tors. theta energy: 4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -564.119398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.119398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.119398 (E_RNA)
where:
Base-Base interactions energy: -191.484
where: short stacking energy: -177.750
Base-Backbone interact. energy: 1.608
local terms energy: -374.243422
where:
bonds (distance) C4'-P energy: -117.582
bonds (distance) P-C4' energy: -119.166
flat angles C4'-P-C4' energy: -94.636
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: 14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -495.221969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.221969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.221969 (E_RNA)
where:
Base-Base interactions energy: -180.431
where: short stacking energy: -138.539
Base-Backbone interact. energy: 4.952
local terms energy: -319.742895
where:
bonds (distance) C4'-P energy: -104.785
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -79.738
flat angles P-C4'-P energy: -59.038
tors. eta vs tors. theta energy: 25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1334.861666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.861666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.861666 (E_RNA)
where:
Base-Base interactions energy: -734.187
where: short stacking energy: -475.027
Base-Backbone interact. energy: -0.717
local terms energy: -599.958529
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -128.461
flat angles C4'-P-C4' energy: -138.505
flat angles P-C4'-P energy: -97.581
tors. eta vs tors. theta energy: -119.878
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1365.885801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.885801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.885801 (E_RNA)
where:
Base-Base interactions energy: -811.964
where: short stacking energy: -402.013
Base-Backbone interact. energy: -3.294
local terms energy: -550.627042
where:
bonds (distance) C4'-P energy: -118.484
bonds (distance) P-C4' energy: -124.521
flat angles C4'-P-C4' energy: -135.864
flat angles P-C4'-P energy: -89.141
tors. eta vs tors. theta energy: -82.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1307.287554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.287554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.287554 (E_RNA)
where:
Base-Base interactions energy: -757.780
where: short stacking energy: -461.974
Base-Backbone interact. energy: -0.246
local terms energy: -549.262055
where:
bonds (distance) C4'-P energy: -116.322
bonds (distance) P-C4' energy: -115.327
flat angles C4'-P-C4' energy: -127.853
flat angles P-C4'-P energy: -88.500
tors. eta vs tors. theta energy: -101.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1030.987617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.987617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.987617 (E_RNA)
where:
Base-Base interactions energy: -551.055
where: short stacking energy: -386.315
Base-Backbone interact. energy: -1.966
local terms energy: -477.966154
where:
bonds (distance) C4'-P energy: -112.169
bonds (distance) P-C4' energy: -104.603
flat angles C4'-P-C4' energy: -131.814
flat angles P-C4'-P energy: -65.576
tors. eta vs tors. theta energy: -63.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -924.964946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.964946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.964946 (E_RNA)
where:
Base-Base interactions energy: -475.832
where: short stacking energy: -293.828
Base-Backbone interact. energy: 4.146
local terms energy: -453.278913
where:
bonds (distance) C4'-P energy: -106.554
bonds (distance) P-C4' energy: -115.971
flat angles C4'-P-C4' energy: -108.987
flat angles P-C4'-P energy: -72.265
tors. eta vs tors. theta energy: -49.502
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -995.351261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.351261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.351261 (E_RNA)
where:
Base-Base interactions energy: -585.835
where: short stacking energy: -302.507
Base-Backbone interact. energy: -0.492
local terms energy: -409.024239
where:
bonds (distance) C4'-P energy: -88.961
bonds (distance) P-C4' energy: -112.291
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -39.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -851.694503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.694503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.694503 (E_RNA)
where:
Base-Base interactions energy: -448.451
where: short stacking energy: -258.219
Base-Backbone interact. energy: -3.898
local terms energy: -399.346255
where:
bonds (distance) C4'-P energy: -113.927
bonds (distance) P-C4' energy: -117.076
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -25.529
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: 11
Temperature: 1.250000
Total energy: -682.022705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.022705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.022705 (E_RNA)
where:
Base-Base interactions energy: -314.176
where: short stacking energy: -221.970
Base-Backbone interact. energy: 2.766
local terms energy: -370.613105
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -96.675
flat angles C4'-P-C4' energy: -96.459
flat angles P-C4'-P energy: -59.578
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -554.235273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.235273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.235273 (E_RNA)
where:
Base-Base interactions energy: -238.918
where: short stacking energy: -179.194
Base-Backbone interact. energy: -4.302
local terms energy: -311.015973
where:
bonds (distance) C4'-P energy: -101.549
bonds (distance) P-C4' energy: -100.228
flat angles C4'-P-C4' energy: -78.007
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: 15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -497.164361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.164361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.164361 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -138.942
Base-Backbone interact. energy: 1.798
local terms energy: -320.063330
where:
bonds (distance) C4'-P energy: -120.728
bonds (distance) P-C4' energy: -99.259
flat angles C4'-P-C4' energy: -69.753
flat angles P-C4'-P energy: -54.559
tors. eta vs tors. theta energy: 24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1385.154745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.154745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.154745 (E_RNA)
where:
Base-Base interactions energy: -771.114
where: short stacking energy: -517.539
Base-Backbone interact. energy: 1.855
local terms energy: -615.895849
where:
bonds (distance) C4'-P energy: -121.603
bonds (distance) P-C4' energy: -132.134
flat angles C4'-P-C4' energy: -142.372
flat angles P-C4'-P energy: -82.190
tors. eta vs tors. theta energy: -137.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1437.482530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.482530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.482530 (E_RNA)
where:
Base-Base interactions energy: -883.959
where: short stacking energy: -464.702
Base-Backbone interact. energy: -1.752
local terms energy: -551.771792
where:
bonds (distance) C4'-P energy: -117.193
bonds (distance) P-C4' energy: -142.643
flat angles C4'-P-C4' energy: -114.329
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -103.505
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: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1290.406944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.406944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.406944 (E_RNA)
where:
Base-Base interactions energy: -748.018
where: short stacking energy: -443.964
Base-Backbone interact. energy: -2.355
local terms energy: -540.034051
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -121.057
flat angles C4'-P-C4' energy: -135.541
flat angles P-C4'-P energy: -72.914
tors. eta vs tors. theta energy: -92.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1103.807082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.807082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.807082 (E_RNA)
where:
Base-Base interactions energy: -646.212
where: short stacking energy: -381.871
Base-Backbone interact. energy: 1.047
local terms energy: -458.642081
where:
bonds (distance) C4'-P energy: -105.613
bonds (distance) P-C4' energy: -110.794
flat angles C4'-P-C4' energy: -108.860
flat angles P-C4'-P energy: -65.735
tors. eta vs tors. theta energy: -67.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1026.462679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.462679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.462679 (E_RNA)
where:
Base-Base interactions energy: -575.425
where: short stacking energy: -293.037
Base-Backbone interact. energy: -2.600
local terms energy: -448.438560
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -122.659
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: -37.710
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: 12
Temperature: 1.150000
Total energy: -883.009727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.009727 (E_RNA)
where:
Base-Base interactions energy: -441.880
where: short stacking energy: -275.254
Base-Backbone interact. energy: 2.455
local terms energy: -443.584550
where:
bonds (distance) C4'-P energy: -103.369
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -106.645
flat angles P-C4'-P energy: -68.368
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -900.313776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.313776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.313776 (E_RNA)
where:
Base-Base interactions energy: -469.368
where: short stacking energy: -284.779
Base-Backbone interact. energy: 5.099
local terms energy: -436.044836
where:
bonds (distance) C4'-P energy: -101.974
bonds (distance) P-C4' energy: -121.933
flat angles C4'-P-C4' energy: -120.007
flat angles P-C4'-P energy: -62.265
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -689.651641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.651641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.651641 (E_RNA)
where:
Base-Base interactions energy: -303.954
where: short stacking energy: -197.350
Base-Backbone interact. energy: -1.766
local terms energy: -383.931081
where:
bonds (distance) C4'-P energy: -124.143
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -93.775
flat angles P-C4'-P energy: -62.088
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -542.853448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.853448 (E_RNA)
where:
Base-Base interactions energy: -217.366
where: short stacking energy: -189.026
Base-Backbone interact. energy: -1.689
local terms energy: -323.798290
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -45.763
tors. eta vs tors. theta energy: 6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -543.853143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.853143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.853143 (E_RNA)
where:
Base-Base interactions energy: -238.012
where: short stacking energy: -169.126
Base-Backbone interact. energy: -2.021
local terms energy: -303.819853
where:
bonds (distance) C4'-P energy: -92.876
bonds (distance) P-C4' energy: -108.316
flat angles C4'-P-C4' energy: -93.666
flat angles P-C4'-P energy: -32.007
tors. eta vs tors. theta energy: 23.045
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1381.099114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.099114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.099114 (E_RNA)
where:
Base-Base interactions energy: -763.469
where: short stacking energy: -509.535
Base-Backbone interact. energy: -1.505
local terms energy: -616.124714
where:
bonds (distance) C4'-P energy: -128.120
bonds (distance) P-C4' energy: -133.995
flat angles C4'-P-C4' energy: -143.804
flat angles P-C4'-P energy: -69.542
tors. eta vs tors. theta energy: -140.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1439.448785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.448785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.448785 (E_RNA)
where:
Base-Base interactions energy: -872.123
where: short stacking energy: -469.906
Base-Backbone interact. energy: -0.470
local terms energy: -566.856309
where:
bonds (distance) C4'-P energy: -125.299
bonds (distance) P-C4' energy: -104.673
flat angles C4'-P-C4' energy: -139.681
flat angles P-C4'-P energy: -88.472
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: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1314.908506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.908506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.908506 (E_RNA)
where:
Base-Base interactions energy: -791.204
where: short stacking energy: -420.848
Base-Backbone interact. energy: 0.701
local terms energy: -524.405371
where:
bonds (distance) C4'-P energy: -115.454
bonds (distance) P-C4' energy: -143.342
flat angles C4'-P-C4' energy: -118.668
flat angles P-C4'-P energy: -64.587
tors. eta vs tors. theta energy: -82.354
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1168.467875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.467875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.467875 (E_RNA)
where:
Base-Base interactions energy: -647.673
where: short stacking energy: -402.214
Base-Backbone interact. energy: -1.149
local terms energy: -519.645996
where:
bonds (distance) C4'-P energy: -117.271
bonds (distance) P-C4' energy: -132.290
flat angles C4'-P-C4' energy: -119.505
flat angles P-C4'-P energy: -64.589
tors. eta vs tors. theta energy: -85.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1029.904938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.904938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.904938 (E_RNA)
where:
Base-Base interactions energy: -566.188
where: short stacking energy: -323.470
Base-Backbone interact. energy: 2.565
local terms energy: -466.282594
where:
bonds (distance) C4'-P energy: -103.497
bonds (distance) P-C4' energy: -127.135
flat angles C4'-P-C4' energy: -102.949
flat angles P-C4'-P energy: -78.003
tors. eta vs tors. theta energy: -54.698
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: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -971.317111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.317111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.317111 (E_RNA)
where:
Base-Base interactions energy: -531.988
where: short stacking energy: -309.676
Base-Backbone interact. energy: 0.495
local terms energy: -439.823977
where:
bonds (distance) C4'-P energy: -105.566
bonds (distance) P-C4' energy: -121.444
flat angles C4'-P-C4' energy: -106.832
flat angles P-C4'-P energy: -68.799
tors. eta vs tors. theta energy: -37.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -881.894541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.894541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.894541 (E_RNA)
where:
Base-Base interactions energy: -471.116
where: short stacking energy: -255.079
Base-Backbone interact. energy: -0.220
local terms energy: -410.558629
where:
bonds (distance) C4'-P energy: -102.369
bonds (distance) P-C4' energy: -123.446
flat angles C4'-P-C4' energy: -101.327
flat angles P-C4'-P energy: -65.301
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -666.787795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.787795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.787795 (E_RNA)
where:
Base-Base interactions energy: -290.886
where: short stacking energy: -192.033
Base-Backbone interact. energy: -0.272
local terms energy: -375.629941
where:
bonds (distance) C4'-P energy: -108.850
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -102.616
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: 11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -514.892801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.892801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.892801 (E_RNA)
where:
Base-Base interactions energy: -189.589
where: short stacking energy: -164.564
Base-Backbone interact. energy: 0.013
local terms energy: -325.317214
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -107.048
flat angles C4'-P-C4' energy: -82.864
flat angles P-C4'-P energy: -46.537
tors. eta vs tors. theta energy: 5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -530.196466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.196466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.196466 (E_RNA)
where:
Base-Base interactions energy: -193.593
where: short stacking energy: -156.730
Base-Backbone interact. energy: -2.372
local terms energy: -334.231829
where:
bonds (distance) C4'-P energy: -99.270
bonds (distance) P-C4' energy: -100.662
flat angles C4'-P-C4' energy: -108.513
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: 8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1545.443493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.443493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.443493 (E_RNA)
where:
Base-Base interactions energy: -978.437
where: short stacking energy: -475.643
Base-Backbone interact. energy: -4.944
local terms energy: -562.062678
where:
bonds (distance) C4'-P energy: -119.614
bonds (distance) P-C4' energy: -128.793
flat angles C4'-P-C4' energy: -124.559
flat angles P-C4'-P energy: -88.999
tors. eta vs tors. theta energy: -100.098
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: 14
Temperature: 0.950000
Total energy: -1356.833177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.833177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.833177 (E_RNA)
where:
Base-Base interactions energy: -757.434
where: short stacking energy: -500.485
Base-Backbone interact. energy: -0.547
local terms energy: -598.852563
where:
bonds (distance) C4'-P energy: -123.965
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -135.884
flat angles P-C4'-P energy: -86.066
tors. eta vs tors. theta energy: -133.008
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: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1338.094336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.094336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.094336 (E_RNA)
where:
Base-Base interactions energy: -791.196
where: short stacking energy: -424.628
Base-Backbone interact. energy: -1.016
local terms energy: -545.882236
where:
bonds (distance) C4'-P energy: -116.197
bonds (distance) P-C4' energy: -117.874
flat angles C4'-P-C4' energy: -118.497
flat angles P-C4'-P energy: -92.582
tors. eta vs tors. theta energy: -100.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1218.423876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.423876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.423876 (E_RNA)
where:
Base-Base interactions energy: -693.318
where: short stacking energy: -390.043
Base-Backbone interact. energy: 1.423
local terms energy: -526.528628
where:
bonds (distance) C4'-P energy: -126.024
bonds (distance) P-C4' energy: -123.382
flat angles C4'-P-C4' energy: -121.518
flat angles P-C4'-P energy: -71.674
tors. eta vs tors. theta energy: -83.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1102.430639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.430639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.430639 (E_RNA)
where:
Base-Base interactions energy: -631.450
where: short stacking energy: -329.419
Base-Backbone interact. energy: -3.477
local terms energy: -467.504133
where:
bonds (distance) C4'-P energy: -101.104
bonds (distance) P-C4' energy: -105.562
flat angles C4'-P-C4' energy: -119.682
flat angles P-C4'-P energy: -73.789
tors. eta vs tors. theta energy: -67.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1044.376033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.376033 (E_RNA)
where:
Base-Base interactions energy: -601.103
where: short stacking energy: -321.809
Base-Backbone interact. energy: 1.262
local terms energy: -444.535421
where:
bonds (distance) C4'-P energy: -121.042
bonds (distance) P-C4' energy: -104.236
flat angles C4'-P-C4' energy: -98.406
flat angles P-C4'-P energy: -66.973
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: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -930.261838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.261838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.261838 (E_RNA)
where:
Base-Base interactions energy: -529.671
where: short stacking energy: -277.913
Base-Backbone interact. energy: 1.425
local terms energy: -402.015363
where:
bonds (distance) C4'-P energy: -96.352
bonds (distance) P-C4' energy: -102.286
flat angles C4'-P-C4' energy: -107.011
flat angles P-C4'-P energy: -79.199
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -737.332787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.332787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.332787 (E_RNA)
where:
Base-Base interactions energy: -336.678
where: short stacking energy: -210.217
Base-Backbone interact. energy: 2.572
local terms energy: -403.226322
where:
bonds (distance) C4'-P energy: -118.933
bonds (distance) P-C4' energy: -124.243
flat angles C4'-P-C4' energy: -88.383
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -551.953442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.953442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.953442 (E_RNA)
where:
Base-Base interactions energy: -217.170
where: short stacking energy: -175.644
Base-Backbone interact. energy: -2.127
local terms energy: -332.656749
where:
bonds (distance) C4'-P energy: -92.562
bonds (distance) P-C4' energy: -115.499
flat angles C4'-P-C4' energy: -85.115
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: 5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -476.689139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.689139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.689139 (E_RNA)
where:
Base-Base interactions energy: -178.856
where: short stacking energy: -141.403
Base-Backbone interact. energy: 3.039
local terms energy: -300.871556
where:
bonds (distance) C4'-P energy: -87.697
bonds (distance) P-C4' energy: -102.178
flat angles C4'-P-C4' energy: -84.114
flat angles P-C4'-P energy: -47.705
tors. eta vs tors. theta energy: 20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1565.591867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.591867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.591867 (E_RNA)
where:
Base-Base interactions energy: -980.644
where: short stacking energy: -470.854
Base-Backbone interact. energy: -4.796
local terms energy: -580.151329
where:
bonds (distance) C4'-P energy: -118.924
bonds (distance) P-C4' energy: -135.048
flat angles C4'-P-C4' energy: -138.579
flat angles P-C4'-P energy: -75.699
tors. eta vs tors. theta energy: -111.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1295.020580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.020580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.020580 (E_RNA)
where:
Base-Base interactions energy: -731.135
where: short stacking energy: -477.987
Base-Backbone interact. energy: -1.020
local terms energy: -562.865277
where:
bonds (distance) C4'-P energy: -112.597
bonds (distance) P-C4' energy: -123.508
flat angles C4'-P-C4' energy: -126.648
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -123.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1374.006305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.006305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.006305 (E_RNA)
where:
Base-Base interactions energy: -822.844
where: short stacking energy: -440.929
Base-Backbone interact. energy: 0.032
local terms energy: -551.194279
where:
bonds (distance) C4'-P energy: -114.267
bonds (distance) P-C4' energy: -123.699
flat angles C4'-P-C4' energy: -127.868
flat angles P-C4'-P energy: -81.542
tors. eta vs tors. theta energy: -103.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1279.975653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.975653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.975653 (E_RNA)
where:
Base-Base interactions energy: -737.233
where: short stacking energy: -388.548
Base-Backbone interact. energy: -0.552
local terms energy: -542.190185
where:
bonds (distance) C4'-P energy: -118.116
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -143.723
flat angles P-C4'-P energy: -66.888
tors. eta vs tors. theta energy: -88.117
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: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1133.923711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.923711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.923711 (E_RNA)
where:
Base-Base interactions energy: -657.477
where: short stacking energy: -365.176
Base-Backbone interact. energy: -2.910
local terms energy: -473.536904
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -114.166
flat angles C4'-P-C4' energy: -109.438
flat angles P-C4'-P energy: -63.209
tors. eta vs tors. theta energy: -77.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1101.768058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.768058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.768058 (E_RNA)
where:
Base-Base interactions energy: -642.241
where: short stacking energy: -346.663
Base-Backbone interact. energy: 0.155
local terms energy: -459.681786
where:
bonds (distance) C4'-P energy: -102.630
bonds (distance) P-C4' energy: -119.437
flat angles C4'-P-C4' energy: -111.330
flat angles P-C4'-P energy: -59.755
tors. eta vs tors. theta energy: -66.529
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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -929.355050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.355050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.355050 (E_RNA)
where:
Base-Base interactions energy: -523.063
where: short stacking energy: -293.132
Base-Backbone interact. energy: -2.064
local terms energy: -404.227467
where:
bonds (distance) C4'-P energy: -89.639
bonds (distance) P-C4' energy: -108.858
flat angles C4'-P-C4' energy: -103.357
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -723.722036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.722036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.722036 (E_RNA)
where:
Base-Base interactions energy: -326.753
where: short stacking energy: -209.078
Base-Backbone interact. energy: 0.276
local terms energy: -397.244759
where:
bonds (distance) C4'-P energy: -105.599
bonds (distance) P-C4' energy: -120.043
flat angles C4'-P-C4' energy: -111.087
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -10.220
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: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -569.101040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.101040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.101040 (E_RNA)
where:
Base-Base interactions energy: -237.486
where: short stacking energy: -178.667
Base-Backbone interact. energy: 2.033
local terms energy: -333.648540
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -114.431
flat angles C4'-P-C4' energy: -74.325
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: 18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -493.590423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.590423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.590423 (E_RNA)
where:
Base-Base interactions energy: -163.451
where: short stacking energy: -148.455
Base-Backbone interact. energy: 0.078
local terms energy: -330.218105
where:
bonds (distance) C4'-P energy: -89.893
bonds (distance) P-C4' energy: -103.158
flat angles C4'-P-C4' energy: -94.844
flat angles P-C4'-P energy: -51.473
tors. eta vs tors. theta energy: 9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1629.924030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.924030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.924030 (E_RNA)
where:
Base-Base interactions energy: -1017.939
where: short stacking energy: -518.062
Base-Backbone interact. energy: -1.868
local terms energy: -610.117469
where:
bonds (distance) C4'-P energy: -130.806
bonds (distance) P-C4' energy: -123.503
flat angles C4'-P-C4' energy: -133.702
flat angles P-C4'-P energy: -84.709
tors. eta vs tors. theta energy: -137.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1376.331438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.331438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.331438 (E_RNA)
where:
Base-Base interactions energy: -799.717
where: short stacking energy: -448.933
Base-Backbone interact. energy: -1.144
local terms energy: -575.470246
where:
bonds (distance) C4'-P energy: -125.166
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -133.956
flat angles P-C4'-P energy: -76.704
tors. eta vs tors. theta energy: -112.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1330.702657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.702657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.702657 (E_RNA)
where:
Base-Base interactions energy: -800.530
where: short stacking energy: -413.080
Base-Backbone interact. energy: -1.716
local terms energy: -528.456465
where:
bonds (distance) C4'-P energy: -116.834
bonds (distance) P-C4' energy: -116.961
flat angles C4'-P-C4' energy: -127.409
flat angles P-C4'-P energy: -77.263
tors. eta vs tors. theta energy: -89.990
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: 16
Temperature: 1.050000
Total energy: -1338.263423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.263423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.263423 (E_RNA)
where:
Base-Base interactions energy: -845.382
where: short stacking energy: -382.752
Base-Backbone interact. energy: 2.498
local terms energy: -495.378759
where:
bonds (distance) C4'-P energy: -104.478
bonds (distance) P-C4' energy: -125.710
flat angles C4'-P-C4' energy: -127.300
flat angles P-C4'-P energy: -62.448
tors. eta vs tors. theta energy: -75.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1150.018304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.018304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.018304 (E_RNA)
where:
Base-Base interactions energy: -674.626
where: short stacking energy: -370.956
Base-Backbone interact. energy: 1.402
local terms energy: -476.794834
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -118.597
flat angles C4'-P-C4' energy: -119.028
flat angles P-C4'-P energy: -72.649
tors. eta vs tors. theta energy: -62.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1000.950399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.950399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.950399 (E_RNA)
where:
Base-Base interactions energy: -542.158
where: short stacking energy: -322.896
Base-Backbone interact. energy: -1.459
local terms energy: -457.333044
where:
bonds (distance) C4'-P energy: -111.121
bonds (distance) P-C4' energy: -118.213
flat angles C4'-P-C4' energy: -102.096
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -52.859
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: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1049.175269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.175269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.175269 (E_RNA)
where:
Base-Base interactions energy: -599.188
where: short stacking energy: -308.842
Base-Backbone interact. energy: -1.260
local terms energy: -448.727073
where:
bonds (distance) C4'-P energy: -126.557
bonds (distance) P-C4' energy: -114.878
flat angles C4'-P-C4' energy: -108.929
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -41.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -701.658011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.658011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.658011 (E_RNA)
where:
Base-Base interactions energy: -304.667
where: short stacking energy: -199.221
Base-Backbone interact. energy: -0.069
local terms energy: -396.922261
where:
bonds (distance) C4'-P energy: -101.845
bonds (distance) P-C4' energy: -106.894
flat angles C4'-P-C4' energy: -93.337
flat angles P-C4'-P energy: -78.038
tors. eta vs tors. theta energy: -16.808
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -548.920477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.920477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.920477 (E_RNA)
where:
Base-Base interactions energy: -223.662
where: short stacking energy: -178.232
Base-Backbone interact. energy: 2.129
local terms energy: -327.387780
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -103.547
flat angles C4'-P-C4' energy: -89.900
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: 7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -501.872863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.872863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.872863 (E_RNA)
where:
Base-Base interactions energy: -159.816
where: short stacking energy: -134.580
Base-Backbone interact. energy: 3.391
local terms energy: -345.447762
where:
bonds (distance) C4'-P energy: -101.458
bonds (distance) P-C4' energy: -114.976
flat angles C4'-P-C4' energy: -80.211
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: 9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1668.708098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.708098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.708098 (E_RNA)
where:
Base-Base interactions energy: -1066.956
where: short stacking energy: -509.056
Base-Backbone interact. energy: -3.335
local terms energy: -598.417085
where:
bonds (distance) C4'-P energy: -130.899
bonds (distance) P-C4' energy: -126.364
flat angles C4'-P-C4' energy: -130.709
flat angles P-C4'-P energy: -72.195
tors. eta vs tors. theta energy: -138.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1425.463005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.463005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.463005 (E_RNA)
where:
Base-Base interactions energy: -858.930
where: short stacking energy: -456.347
Base-Backbone interact. energy: -1.534
local terms energy: -564.998719
where:
bonds (distance) C4'-P energy: -102.913
bonds (distance) P-C4' energy: -142.835
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -91.888
tors. eta vs tors. theta energy: -104.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1408.324384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.324384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.324384 (E_RNA)
where:
Base-Base interactions energy: -870.791
where: short stacking energy: -454.865
Base-Backbone interact. energy: -1.079
local terms energy: -536.453971
where:
bonds (distance) C4'-P energy: -101.252
bonds (distance) P-C4' energy: -128.463
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -76.871
tors. eta vs tors. theta energy: -99.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1331.862225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.862225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.862225 (E_RNA)
where:
Base-Base interactions energy: -831.870
where: short stacking energy: -398.712
Base-Backbone interact. energy: -0.109
local terms energy: -499.883223
where:
bonds (distance) C4'-P energy: -101.199
bonds (distance) P-C4' energy: -118.730
flat angles C4'-P-C4' energy: -123.914
flat angles P-C4'-P energy: -73.446
tors. eta vs tors. theta energy: -82.594
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: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1172.468985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.468985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.468985 (E_RNA)
where:
Base-Base interactions energy: -668.637
where: short stacking energy: -401.131
Base-Backbone interact. energy: -0.673
local terms energy: -503.159477
where:
bonds (distance) C4'-P energy: -113.591
bonds (distance) P-C4' energy: -124.602
flat angles C4'-P-C4' energy: -109.218
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -78.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1057.164080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.164080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.164080 (E_RNA)
where:
Base-Base interactions energy: -617.270
where: short stacking energy: -333.073
Base-Backbone interact. energy: -2.392
local terms energy: -437.502476
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -114.792
flat angles C4'-P-C4' energy: -101.474
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -56.002
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -994.555321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.555321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.555321 (E_RNA)
where:
Base-Base interactions energy: -541.851
where: short stacking energy: -297.238
Base-Backbone interact. energy: -0.506
local terms energy: -452.197654
where:
bonds (distance) C4'-P energy: -105.489
bonds (distance) P-C4' energy: -107.648
flat angles C4'-P-C4' energy: -118.678
flat angles P-C4'-P energy: -71.852
tors. eta vs tors. theta energy: -48.531
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: 17
Temperature: 1.250000
Total energy: -661.533131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.533131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.533131 (E_RNA)
where:
Base-Base interactions energy: -264.445
where: short stacking energy: -187.420
Base-Backbone interact. energy: -0.086
local terms energy: -397.002061
where:
bonds (distance) C4'-P energy: -103.121
bonds (distance) P-C4' energy: -107.494
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -71.612
tors. eta vs tors. theta energy: -10.132
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: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -515.286386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.286386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.286386 (E_RNA)
where:
Base-Base interactions energy: -205.980
where: short stacking energy: -144.169
Base-Backbone interact. energy: -0.560
local terms energy: -308.746567
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -110.578
flat angles C4'-P-C4' energy: -67.186
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: 20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -511.756771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.756771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.756771 (E_RNA)
where:
Base-Base interactions energy: -187.864
where: short stacking energy: -149.733
Base-Backbone interact. energy: -0.453
local terms energy: -323.439603
where:
bonds (distance) C4'-P energy: -110.914
bonds (distance) P-C4' energy: -94.129
flat angles C4'-P-C4' energy: -92.185
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: 12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1653.135306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.135306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.135306 (E_RNA)
where:
Base-Base interactions energy: -1038.978
where: short stacking energy: -543.000
Base-Backbone interact. energy: -4.589
local terms energy: -609.568384
where:
bonds (distance) C4'-P energy: -132.311
bonds (distance) P-C4' energy: -128.624
flat angles C4'-P-C4' energy: -127.759
flat angles P-C4'-P energy: -86.351
tors. eta vs tors. theta energy: -134.523
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1483.691324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.691324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.691324 (E_RNA)
where:
Base-Base interactions energy: -923.278
where: short stacking energy: -500.739
Base-Backbone interact. energy: -2.262
local terms energy: -558.151037
where:
bonds (distance) C4'-P energy: -124.984
bonds (distance) P-C4' energy: -119.083
flat angles C4'-P-C4' energy: -132.717
flat angles P-C4'-P energy: -70.582
tors. eta vs tors. theta energy: -110.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1422.577845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.577845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.577845 (E_RNA)
where:
Base-Base interactions energy: -879.864
where: short stacking energy: -449.855
Base-Backbone interact. energy: -2.690
local terms energy: -540.024418
where:
bonds (distance) C4'-P energy: -109.313
bonds (distance) P-C4' energy: -119.227
flat angles C4'-P-C4' energy: -122.782
flat angles P-C4'-P energy: -74.172
tors. eta vs tors. theta energy: -114.530
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: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1395.205912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.205912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.205912 (E_RNA)
where:
Base-Base interactions energy: -873.395
where: short stacking energy: -434.117
Base-Backbone interact. energy: -1.562
local terms energy: -520.248942
where:
bonds (distance) C4'-P energy: -122.808
bonds (distance) P-C4' energy: -112.469
flat angles C4'-P-C4' energy: -111.116
flat angles P-C4'-P energy: -77.591
tors. eta vs tors. theta energy: -96.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1191.145820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.145820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.145820 (E_RNA)
where:
Base-Base interactions energy: -679.326
where: short stacking energy: -371.288
Base-Backbone interact. energy: -2.397
local terms energy: -509.422885
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -118.622
flat angles C4'-P-C4' energy: -123.008
flat angles P-C4'-P energy: -81.991
tors. eta vs tors. theta energy: -72.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1013.560587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.560587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.560587 (E_RNA)
where:
Base-Base interactions energy: -571.234
where: short stacking energy: -332.056
Base-Backbone interact. energy: 0.767
local terms energy: -443.093274
where:
bonds (distance) C4'-P energy: -105.395
bonds (distance) P-C4' energy: -98.010
flat angles C4'-P-C4' energy: -106.731
flat angles P-C4'-P energy: -78.295
tors. eta vs tors. theta energy: -54.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -998.686677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.686677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.686677 (E_RNA)
where:
Base-Base interactions energy: -569.107
where: short stacking energy: -289.962
Base-Backbone interact. energy: -3.125
local terms energy: -426.455473
where:
bonds (distance) C4'-P energy: -104.701
bonds (distance) P-C4' energy: -120.532
flat angles C4'-P-C4' energy: -103.797
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -38.011
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: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -666.499094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.499094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.499094 (E_RNA)
where:
Base-Base interactions energy: -280.808
where: short stacking energy: -183.076
Base-Backbone interact. energy: 0.311
local terms energy: -386.001734
where:
bonds (distance) C4'-P energy: -104.319
bonds (distance) P-C4' energy: -110.834
flat angles C4'-P-C4' energy: -94.058
flat angles P-C4'-P energy: -69.396
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -522.821810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.821810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.821810 (E_RNA)
where:
Base-Base interactions energy: -172.620
where: short stacking energy: -149.629
Base-Backbone interact. energy: 0.094
local terms energy: -350.295224
where:
bonds (distance) C4'-P energy: -79.392
bonds (distance) P-C4' energy: -113.019
flat angles C4'-P-C4' energy: -106.963
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: 5.276
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: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -511.551457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.551457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.551457 (E_RNA)
where:
Base-Base interactions energy: -165.685
where: short stacking energy: -129.285
Base-Backbone interact. energy: -0.961
local terms energy: -344.905973
where:
bonds (distance) C4'-P energy: -97.555
bonds (distance) P-C4' energy: -115.977
flat angles C4'-P-C4' energy: -96.651
flat angles P-C4'-P energy: -47.019
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: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1670.046976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.046976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.046976 (E_RNA)
where:
Base-Base interactions energy: -1068.806
where: short stacking energy: -506.756
Base-Backbone interact. energy: -0.079
local terms energy: -601.162148
where:
bonds (distance) C4'-P energy: -125.258
bonds (distance) P-C4' energy: -131.067
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -80.810
tors. eta vs tors. theta energy: -127.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1545.182296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.182296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.182296 (E_RNA)
where:
Base-Base interactions energy: -988.264
where: short stacking energy: -482.053
Base-Backbone interact. energy: 1.821
local terms energy: -558.739287
where:
bonds (distance) C4'-P energy: -116.660
bonds (distance) P-C4' energy: -127.737
flat angles C4'-P-C4' energy: -127.694
flat angles P-C4'-P energy: -84.575
tors. eta vs tors. theta energy: -102.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1342.434307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.434307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.434307 (E_RNA)
where:
Base-Base interactions energy: -783.342
where: short stacking energy: -429.926
Base-Backbone interact. energy: 2.665
local terms energy: -561.757867
where:
bonds (distance) C4'-P energy: -110.503
bonds (distance) P-C4' energy: -120.946
flat angles C4'-P-C4' energy: -141.610
flat angles P-C4'-P energy: -91.447
tors. eta vs tors. theta energy: -97.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1411.547565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.547565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.547565 (E_RNA)
where:
Base-Base interactions energy: -900.620
where: short stacking energy: -420.173
Base-Backbone interact. energy: -2.037
local terms energy: -508.890255
where:
bonds (distance) C4'-P energy: -114.352
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -127.936
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -77.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1202.117451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.117451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.117451 (E_RNA)
where:
Base-Base interactions energy: -702.726
where: short stacking energy: -376.337
Base-Backbone interact. energy: -1.586
local terms energy: -497.804972
where:
bonds (distance) C4'-P energy: -118.243
bonds (distance) P-C4' energy: -129.343
flat angles C4'-P-C4' energy: -120.043
flat angles P-C4'-P energy: -62.910
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: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1090.527265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.527265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.527265 (E_RNA)
where:
Base-Base interactions energy: -612.186
where: short stacking energy: -323.860
Base-Backbone interact. energy: -2.485
local terms energy: -475.856428
where:
bonds (distance) C4'-P energy: -115.394
bonds (distance) P-C4' energy: -108.287
flat angles C4'-P-C4' energy: -118.955
flat angles P-C4'-P energy: -72.228
tors. eta vs tors. theta energy: -60.992
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1046.102146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.102146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.102146 (E_RNA)
where:
Base-Base interactions energy: -623.438
where: short stacking energy: -324.722
Base-Backbone interact. energy: -2.952
local terms energy: -419.712581
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -121.100
flat angles C4'-P-C4' energy: -83.868
flat angles P-C4'-P energy: -90.246
tors. eta vs tors. theta energy: -33.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -740.841570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.841570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.841570 (E_RNA)
where:
Base-Base interactions energy: -343.714
where: short stacking energy: -218.217
Base-Backbone interact. energy: -3.084
local terms energy: -394.044395
where:
bonds (distance) C4'-P energy: -105.266
bonds (distance) P-C4' energy: -102.026
flat angles C4'-P-C4' energy: -115.952
flat angles P-C4'-P energy: -58.530
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -566.401038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.401038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.401038 (E_RNA)
where:
Base-Base interactions energy: -181.883
where: short stacking energy: -161.073
Base-Backbone interact. energy: 0.377
local terms energy: -384.894644
where:
bonds (distance) C4'-P energy: -114.197
bonds (distance) P-C4' energy: -106.869
flat angles C4'-P-C4' energy: -107.680
flat angles P-C4'-P energy: -49.414
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -494.213401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.213401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.213401 (E_RNA)
where:
Base-Base interactions energy: -160.016
where: short stacking energy: -126.324
Base-Backbone interact. energy: -2.327
local terms energy: -331.870820
where:
bonds (distance) C4'-P energy: -118.426
bonds (distance) P-C4' energy: -99.722
flat angles C4'-P-C4' energy: -86.016
flat angles P-C4'-P energy: -60.383
tors. eta vs tors. theta energy: 32.676
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1679.033897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.033897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.033897 (E_RNA)
where:
Base-Base interactions energy: -1057.634
where: short stacking energy: -515.249
Base-Backbone interact. energy: -2.878
local terms energy: -618.521877
where:
bonds (distance) C4'-P energy: -127.758
bonds (distance) P-C4' energy: -133.177
flat angles C4'-P-C4' energy: -135.532
flat angles P-C4'-P energy: -91.106
tors. eta vs tors. theta energy: -130.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1590.201002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.201002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.201002 (E_RNA)
where:
Base-Base interactions energy: -1000.802
where: short stacking energy: -474.752
Base-Backbone interact. energy: 1.049
local terms energy: -590.447896
where:
bonds (distance) C4'-P energy: -129.880
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -142.583
flat angles P-C4'-P energy: -69.413
tors. eta vs tors. theta energy: -115.731
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: 20
Temperature: 1.000000
Total energy: -1530.452525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.452525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.452525 (E_RNA)
where:
Base-Base interactions energy: -978.976
where: short stacking energy: -430.872
Base-Backbone interact. energy: -0.838
local terms energy: -550.638423
where:
bonds (distance) C4'-P energy: -112.733
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -123.830
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -101.108
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1232.492502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.492502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.492502 (E_RNA)
where:
Base-Base interactions energy: -720.771
where: short stacking energy: -406.593
Base-Backbone interact. energy: -1.880
local terms energy: -509.842208
where:
bonds (distance) C4'-P energy: -100.651
bonds (distance) P-C4' energy: -128.300
flat angles C4'-P-C4' energy: -130.168
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -76.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1239.821767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.821767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.821767 (E_RNA)
where:
Base-Base interactions energy: -734.691
where: short stacking energy: -373.090
Base-Backbone interact. energy: -4.024
local terms energy: -501.106779
where:
bonds (distance) C4'-P energy: -113.815
bonds (distance) P-C4' energy: -120.982
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -81.555
tors. eta vs tors. theta energy: -68.392
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1051.972028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.972028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.972028 (E_RNA)
where:
Base-Base interactions energy: -596.167
where: short stacking energy: -312.987
Base-Backbone interact. energy: -2.733
local terms energy: -453.071472
where:
bonds (distance) C4'-P energy: -114.632
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -104.269
flat angles P-C4'-P energy: -71.378
tors. eta vs tors. theta energy: -64.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1002.186154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.186154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.186154 (E_RNA)
where:
Base-Base interactions energy: -586.146
where: short stacking energy: -317.048
Base-Backbone interact. energy: -1.726
local terms energy: -414.314263
where:
bonds (distance) C4'-P energy: -101.039
bonds (distance) P-C4' energy: -98.783
flat angles C4'-P-C4' energy: -112.873
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -34.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -727.677394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.677394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.677394 (E_RNA)
where:
Base-Base interactions energy: -340.036
where: short stacking energy: -208.390
Base-Backbone interact. energy: -3.634
local terms energy: -384.008017
where:
bonds (distance) C4'-P energy: -106.650
bonds (distance) P-C4' energy: -107.528
flat angles C4'-P-C4' energy: -95.694
flat angles P-C4'-P energy: -63.182
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -535.160589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.160589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.160589 (E_RNA)
where:
Base-Base interactions energy: -194.299
where: short stacking energy: -157.164
Base-Backbone interact. energy: 7.213
local terms energy: -348.074199
where:
bonds (distance) C4'-P energy: -100.884
bonds (distance) P-C4' energy: -103.129
flat angles C4'-P-C4' energy: -98.944
flat angles P-C4'-P energy: -58.920
tors. eta vs tors. theta energy: 13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -489.600597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.600597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.600597 (E_RNA)
where:
Base-Base interactions energy: -140.927
where: short stacking energy: -116.128
Base-Backbone interact. energy: 0.240
local terms energy: -348.913389
where:
bonds (distance) C4'-P energy: -117.766
bonds (distance) P-C4' energy: -104.297
flat angles C4'-P-C4' energy: -87.284
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: 17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1772.336165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.336165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.336165 (E_RNA)
where:
Base-Base interactions energy: -1138.599
where: short stacking energy: -554.607
Base-Backbone interact. energy: -9.280
local terms energy: -624.458063
where:
bonds (distance) C4'-P energy: -122.618
bonds (distance) P-C4' energy: -130.235
flat angles C4'-P-C4' energy: -136.338
flat angles P-C4'-P energy: -90.560
tors. eta vs tors. theta energy: -144.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1638.615915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.615915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.615915 (E_RNA)
where:
Base-Base interactions energy: -1043.378
where: short stacking energy: -488.808
Base-Backbone interact. energy: -2.636
local terms energy: -592.601276
where:
bonds (distance) C4'-P energy: -120.729
bonds (distance) P-C4' energy: -128.132
flat angles C4'-P-C4' energy: -125.751
flat angles P-C4'-P energy: -90.388
tors. eta vs tors. theta energy: -127.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1539.445752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.445752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.445752 (E_RNA)
where:
Base-Base interactions energy: -954.833
where: short stacking energy: -437.032
Base-Backbone interact. energy: -3.407
local terms energy: -581.204961
where:
bonds (distance) C4'-P energy: -120.441
bonds (distance) P-C4' energy: -130.465
flat angles C4'-P-C4' energy: -123.902
flat angles P-C4'-P energy: -98.440
tors. eta vs tors. theta energy: -107.957
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: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1369.769622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.769622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.769622 (E_RNA)
where:
Base-Base interactions energy: -855.440
where: short stacking energy: -430.018
Base-Backbone interact. energy: -3.739
local terms energy: -510.590530
where:
bonds (distance) C4'-P energy: -99.550
bonds (distance) P-C4' energy: -114.597
flat angles C4'-P-C4' energy: -114.018
flat angles P-C4'-P energy: -87.528
tors. eta vs tors. theta energy: -94.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1204.782755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.782755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.782755 (E_RNA)
where:
Base-Base interactions energy: -711.857
where: short stacking energy: -377.778
Base-Backbone interact. energy: -2.036
local terms energy: -490.889416
where:
bonds (distance) C4'-P energy: -97.678
bonds (distance) P-C4' energy: -122.745
flat angles C4'-P-C4' energy: -118.989
flat angles P-C4'-P energy: -79.185
tors. eta vs tors. theta energy: -72.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1072.695194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.695194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.695194 (E_RNA)
where:
Base-Base interactions energy: -616.130
where: short stacking energy: -340.912
Base-Backbone interact. energy: -2.473
local terms energy: -454.092500
where:
bonds (distance) C4'-P energy: -117.274
bonds (distance) P-C4' energy: -104.179
flat angles C4'-P-C4' energy: -113.839
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1006.322856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.322856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.322856 (E_RNA)
where:
Base-Base interactions energy: -574.997
where: short stacking energy: -298.539
Base-Backbone interact. energy: -3.595
local terms energy: -427.730397
where:
bonds (distance) C4'-P energy: -114.346
bonds (distance) P-C4' energy: -108.471
flat angles C4'-P-C4' energy: -96.188
flat angles P-C4'-P energy: -68.497
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -769.934734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.934734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.934734 (E_RNA)
where:
Base-Base interactions energy: -386.236
where: short stacking energy: -243.462
Base-Backbone interact. energy: 0.034
local terms energy: -383.732107
where:
bonds (distance) C4'-P energy: -104.876
bonds (distance) P-C4' energy: -111.243
flat angles C4'-P-C4' energy: -97.518
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -533.343371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.343371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.343371 (E_RNA)
where:
Base-Base interactions energy: -211.358
where: short stacking energy: -175.680
Base-Backbone interact. energy: 7.382
local terms energy: -329.367239
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -90.193
flat angles C4'-P-C4' energy: -96.873
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: 8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -490.789824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.789824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.789824 (E_RNA)
where:
Base-Base interactions energy: -173.355
where: short stacking energy: -139.570
Base-Backbone interact. energy: -0.582
local terms energy: -316.853147
where:
bonds (distance) C4'-P energy: -100.224
bonds (distance) P-C4' energy: -111.407
flat angles C4'-P-C4' energy: -72.036
flat angles P-C4'-P energy: -63.222
tors. eta vs tors. theta energy: 30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1752.416287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.416287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.416287 (E_RNA)
where:
Base-Base interactions energy: -1125.413
where: short stacking energy: -516.577
Base-Backbone interact. energy: -6.621
local terms energy: -620.382244
where:
bonds (distance) C4'-P energy: -140.672
bonds (distance) P-C4' energy: -121.875
flat angles C4'-P-C4' energy: -137.583
flat angles P-C4'-P energy: -83.330
tors. eta vs tors. theta energy: -136.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1619.582186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.582186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.582186 (E_RNA)
where:
Base-Base interactions energy: -1022.903
where: short stacking energy: -486.333
Base-Backbone interact. energy: -1.901
local terms energy: -594.777407
where:
bonds (distance) C4'-P energy: -130.208
bonds (distance) P-C4' energy: -132.157
flat angles C4'-P-C4' energy: -126.238
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -121.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1557.661749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.661749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.661749 (E_RNA)
where:
Base-Base interactions energy: -979.181
where: short stacking energy: -465.062
Base-Backbone interact. energy: 0.599
local terms energy: -579.079428
where:
bonds (distance) C4'-P energy: -118.363
bonds (distance) P-C4' energy: -127.798
flat angles C4'-P-C4' energy: -142.553
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -116.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1393.496913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.496913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.496913 (E_RNA)
where:
Base-Base interactions energy: -881.687
where: short stacking energy: -425.470
Base-Backbone interact. energy: 1.297
local terms energy: -513.107065
where:
bonds (distance) C4'-P energy: -122.721
bonds (distance) P-C4' energy: -106.380
flat angles C4'-P-C4' energy: -109.172
flat angles P-C4'-P energy: -82.137
tors. eta vs tors. theta energy: -92.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1141.236044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.236044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.236044 (E_RNA)
where:
Base-Base interactions energy: -644.450
where: short stacking energy: -350.551
Base-Backbone interact. energy: -1.987
local terms energy: -494.798591
where:
bonds (distance) C4'-P energy: -118.527
bonds (distance) P-C4' energy: -119.311
flat angles C4'-P-C4' energy: -117.967
flat angles P-C4'-P energy: -73.726
tors. eta vs tors. theta energy: -65.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1125.293588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.293588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.293588 (E_RNA)
where:
Base-Base interactions energy: -638.177
where: short stacking energy: -322.673
Base-Backbone interact. energy: -2.322
local terms energy: -484.794177
where:
bonds (distance) C4'-P energy: -103.157
bonds (distance) P-C4' energy: -104.101
flat angles C4'-P-C4' energy: -113.464
flat angles P-C4'-P energy: -99.915
tors. eta vs tors. theta energy: -64.158
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: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -999.559383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.559383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.559383 (E_RNA)
where:
Base-Base interactions energy: -574.491
where: short stacking energy: -296.321
Base-Backbone interact. energy: -3.869
local terms energy: -421.199375
where:
bonds (distance) C4'-P energy: -111.401
bonds (distance) P-C4' energy: -106.805
flat angles C4'-P-C4' energy: -112.705
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -31.833
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: 22
Temperature: 1.250000
Total energy: -788.235586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.235586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.235586 (E_RNA)
where:
Base-Base interactions energy: -378.487
where: short stacking energy: -238.538
Base-Backbone interact. energy: 4.316
local terms energy: -414.064432
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -125.617
flat angles C4'-P-C4' energy: -90.010
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -13.100
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -545.676446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.676446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.676446 (E_RNA)
where:
Base-Base interactions energy: -208.650
where: short stacking energy: -180.597
Base-Backbone interact. energy: -2.077
local terms energy: -334.949453
where:
bonds (distance) C4'-P energy: -103.723
bonds (distance) P-C4' energy: -114.434
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: 15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -501.907608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.907608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.907608 (E_RNA)
where:
Base-Base interactions energy: -189.676
where: short stacking energy: -160.534
Base-Backbone interact. energy: 0.226
local terms energy: -312.457578
where:
bonds (distance) C4'-P energy: -105.956
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -95.310
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: 33.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1722.243917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.243917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.243917 (E_RNA)
where:
Base-Base interactions energy: -1111.020
where: short stacking energy: -517.158
Base-Backbone interact. energy: -5.107
local terms energy: -606.116790
where:
bonds (distance) C4'-P energy: -111.705
bonds (distance) P-C4' energy: -126.097
flat angles C4'-P-C4' energy: -133.280
flat angles P-C4'-P energy: -100.528
tors. eta vs tors. theta energy: -134.508
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: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1686.486341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.486341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.486341 (E_RNA)
where:
Base-Base interactions energy: -1115.784
where: short stacking energy: -529.073
Base-Backbone interact. energy: -2.282
local terms energy: -568.420770
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -121.933
flat angles C4'-P-C4' energy: -127.056
flat angles P-C4'-P energy: -77.400
tors. eta vs tors. theta energy: -133.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1564.741524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.741524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.741524 (E_RNA)
where:
Base-Base interactions energy: -1030.975
where: short stacking energy: -481.725
Base-Backbone interact. energy: -1.094
local terms energy: -532.672380
where:
bonds (distance) C4'-P energy: -112.714
bonds (distance) P-C4' energy: -117.292
flat angles C4'-P-C4' energy: -110.531
flat angles P-C4'-P energy: -72.087
tors. eta vs tors. theta energy: -120.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1398.794292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.794292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.794292 (E_RNA)
where:
Base-Base interactions energy: -844.650
where: short stacking energy: -432.602
Base-Backbone interact. energy: 0.384
local terms energy: -554.528455
where:
bonds (distance) C4'-P energy: -125.720
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -117.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1184.967120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.967120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.967120 (E_RNA)
where:
Base-Base interactions energy: -705.501
where: short stacking energy: -379.868
Base-Backbone interact. energy: -0.944
local terms energy: -478.522204
where:
bonds (distance) C4'-P energy: -92.299
bonds (distance) P-C4' energy: -113.169
flat angles C4'-P-C4' energy: -125.040
flat angles P-C4'-P energy: -69.185
tors. eta vs tors. theta energy: -78.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1135.933157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.933157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.933157 (E_RNA)
where:
Base-Base interactions energy: -655.981
where: short stacking energy: -335.393
Base-Backbone interact. energy: -2.802
local terms energy: -477.150158
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -71.735
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -995.275985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.275985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.275985 (E_RNA)
where:
Base-Base interactions energy: -590.050
where: short stacking energy: -304.485
Base-Backbone interact. energy: -0.996
local terms energy: -404.230050
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -38.001
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: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -733.109632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.109632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.109632 (E_RNA)
where:
Base-Base interactions energy: -340.432
where: short stacking energy: -196.951
Base-Backbone interact. energy: -0.997
local terms energy: -391.679954
where:
bonds (distance) C4'-P energy: -117.062
bonds (distance) P-C4' energy: -124.120
flat angles C4'-P-C4' energy: -90.797
flat angles P-C4'-P energy: -58.419
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -529.956025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.956025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.956025 (E_RNA)
where:
Base-Base interactions energy: -193.372
where: short stacking energy: -168.058
Base-Backbone interact. energy: -1.146
local terms energy: -335.438525
where:
bonds (distance) C4'-P energy: -87.819
bonds (distance) P-C4' energy: -104.859
flat angles C4'-P-C4' energy: -97.487
flat angles P-C4'-P energy: -59.945
tors. eta vs tors. theta energy: 14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -511.403755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.403755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.403755 (E_RNA)
where:
Base-Base interactions energy: -176.172
where: short stacking energy: -148.837
Base-Backbone interact. energy: -2.084
local terms energy: -333.147669
where:
bonds (distance) C4'-P energy: -98.129
bonds (distance) P-C4' energy: -111.191
flat angles C4'-P-C4' energy: -97.180
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: 19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1822.200523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.200523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.200523 (E_RNA)
where:
Base-Base interactions energy: -1197.862
where: short stacking energy: -566.142
Base-Backbone interact. energy: -0.109
local terms energy: -624.229221
where:
bonds (distance) C4'-P energy: -119.371
bonds (distance) P-C4' energy: -129.832
flat angles C4'-P-C4' energy: -144.428
flat angles P-C4'-P energy: -77.648
tors. eta vs tors. theta energy: -152.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1680.933881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.933881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.933881 (E_RNA)
where:
Base-Base interactions energy: -1070.936
where: short stacking energy: -466.985
Base-Backbone interact. energy: -4.624
local terms energy: -605.373245
where:
bonds (distance) C4'-P energy: -139.529
bonds (distance) P-C4' energy: -117.911
flat angles C4'-P-C4' energy: -144.308
flat angles P-C4'-P energy: -81.818
tors. eta vs tors. theta energy: -121.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1578.611781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.611781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.611781 (E_RNA)
where:
Base-Base interactions energy: -1035.502
where: short stacking energy: -452.316
Base-Backbone interact. energy: -1.684
local terms energy: -541.426163
where:
bonds (distance) C4'-P energy: -112.218
bonds (distance) P-C4' energy: -121.715
flat angles C4'-P-C4' energy: -119.045
flat angles P-C4'-P energy: -89.066
tors. eta vs tors. theta energy: -99.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1435.742710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.742710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.742710 (E_RNA)
where:
Base-Base interactions energy: -895.592
where: short stacking energy: -422.143
Base-Backbone interact. energy: -4.594
local terms energy: -535.557317
where:
bonds (distance) C4'-P energy: -112.435
bonds (distance) P-C4' energy: -129.714
flat angles C4'-P-C4' energy: -122.516
flat angles P-C4'-P energy: -67.325
tors. eta vs tors. theta energy: -103.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1208.887012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.887012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.887012 (E_RNA)
where:
Base-Base interactions energy: -723.900
where: short stacking energy: -403.267
Base-Backbone interact. energy: -0.412
local terms energy: -484.575045
where:
bonds (distance) C4'-P energy: -108.104
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -116.611
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -74.316
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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1109.271492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.271492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.271492 (E_RNA)
where:
Base-Base interactions energy: -625.326
where: short stacking energy: -311.592
Base-Backbone interact. energy: 2.720
local terms energy: -486.665479
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -129.464
flat angles C4'-P-C4' energy: -105.562
flat angles P-C4'-P energy: -76.490
tors. eta vs tors. theta energy: -63.070
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: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -986.676918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.676918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.676918 (E_RNA)
where:
Base-Base interactions energy: -555.631
where: short stacking energy: -276.428
Base-Backbone interact. energy: 1.302
local terms energy: -432.347491
where:
bonds (distance) C4'-P energy: -92.126
bonds (distance) P-C4' energy: -114.134
flat angles C4'-P-C4' energy: -109.800
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -43.142
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: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -760.900510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.900510 (E_RNA)
where:
Base-Base interactions energy: -390.323
where: short stacking energy: -232.717
Base-Backbone interact. energy: 3.098
local terms energy: -373.675552
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -116.670
flat angles C4'-P-C4' energy: -94.487
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -568.116205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.116205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.116205 (E_RNA)
where:
Base-Base interactions energy: -244.490
where: short stacking energy: -171.188
Base-Backbone interact. energy: -1.242
local terms energy: -322.384176
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -108.618
flat angles C4'-P-C4' energy: -71.447
flat angles P-C4'-P energy: -59.391
tors. eta vs tors. theta energy: 15.518
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: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -484.220706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.220706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.220706 (E_RNA)
where:
Base-Base interactions energy: -164.919
where: short stacking energy: -150.301
Base-Backbone interact. energy: 2.449
local terms energy: -321.750314
where:
bonds (distance) C4'-P energy: -89.027
bonds (distance) P-C4' energy: -110.270
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -49.719
tors. eta vs tors. theta energy: 13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1809.566315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.566315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.566315 (E_RNA)
where:
Base-Base interactions energy: -1184.774
where: short stacking energy: -555.407
Base-Backbone interact. energy: 1.004
local terms energy: -625.796365
where:
bonds (distance) C4'-P energy: -130.491
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -142.549
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -147.496
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1694.379794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.379794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.379794 (E_RNA)
where:
Base-Base interactions energy: -1098.058
where: short stacking energy: -502.561
Base-Backbone interact. energy: 0.091
local terms energy: -596.412974
where:
bonds (distance) C4'-P energy: -120.828
bonds (distance) P-C4' energy: -117.915
flat angles C4'-P-C4' energy: -133.640
flat angles P-C4'-P energy: -97.870
tors. eta vs tors. theta energy: -126.160
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: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1573.984214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.984214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.984214 (E_RNA)
where:
Base-Base interactions energy: -1025.227
where: short stacking energy: -466.032
Base-Backbone interact. energy: -2.629
local terms energy: -546.128337
where:
bonds (distance) C4'-P energy: -116.135
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -126.434
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -111.146
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1466.675919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.675919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.675919 (E_RNA)
where:
Base-Base interactions energy: -943.812
where: short stacking energy: -423.493
Base-Backbone interact. energy: 3.050
local terms energy: -525.913446
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -128.937
flat angles C4'-P-C4' energy: -106.978
flat angles P-C4'-P energy: -72.613
tors. eta vs tors. theta energy: -103.204
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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1216.661768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.661768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.661768 (E_RNA)
where:
Base-Base interactions energy: -728.776
where: short stacking energy: -376.613
Base-Backbone interact. energy: -2.439
local terms energy: -485.447251
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -119.157
flat angles P-C4'-P energy: -62.274
tors. eta vs tors. theta energy: -73.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1146.756460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.756460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.756460 (E_RNA)
where:
Base-Base interactions energy: -669.541
where: short stacking energy: -334.562
Base-Backbone interact. energy: -2.488
local terms energy: -474.727006
where:
bonds (distance) C4'-P energy: -126.452
bonds (distance) P-C4' energy: -116.473
flat angles C4'-P-C4' energy: -117.840
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -971.314234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.314234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.314234 (E_RNA)
where:
Base-Base interactions energy: -539.634
where: short stacking energy: -288.712
Base-Backbone interact. energy: -1.851
local terms energy: -429.829206
where:
bonds (distance) C4'-P energy: -104.901
bonds (distance) P-C4' energy: -113.431
flat angles C4'-P-C4' energy: -114.507
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -49.523
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -769.447309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.447309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.447309 (E_RNA)
where:
Base-Base interactions energy: -375.385
where: short stacking energy: -251.899
Base-Backbone interact. energy: -1.546
local terms energy: -392.516823
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -118.360
flat angles C4'-P-C4' energy: -96.659
flat angles P-C4'-P energy: -57.615
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -558.418503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.418503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.418503 (E_RNA)
where:
Base-Base interactions energy: -215.324
where: short stacking energy: -184.286
Base-Backbone interact. energy: 4.610
local terms energy: -347.704108
where:
bonds (distance) C4'-P energy: -114.315
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -73.705
flat angles P-C4'-P energy: -58.588
tors. eta vs tors. theta energy: 23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -531.812194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.812194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.812194 (E_RNA)
where:
Base-Base interactions energy: -209.537
where: short stacking energy: -153.775
Base-Backbone interact. energy: -0.894
local terms energy: -321.381239
where:
bonds (distance) C4'-P energy: -99.847
bonds (distance) P-C4' energy: -116.331
flat angles C4'-P-C4' energy: -77.850
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: 12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1837.297261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.297261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.297261 (E_RNA)
where:
Base-Base interactions energy: -1200.937
where: short stacking energy: -537.419
Base-Backbone interact. energy: -3.089
local terms energy: -633.271847
where:
bonds (distance) C4'-P energy: -133.396
bonds (distance) P-C4' energy: -137.461
flat angles C4'-P-C4' energy: -136.776
flat angles P-C4'-P energy: -84.921
tors. eta vs tors. theta energy: -140.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1707.407100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.407100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.407100 (E_RNA)
where:
Base-Base interactions energy: -1094.486
where: short stacking energy: -495.512
Base-Backbone interact. energy: 2.080
local terms energy: -615.001530
where:
bonds (distance) C4'-P energy: -125.400
bonds (distance) P-C4' energy: -126.715
flat angles C4'-P-C4' energy: -144.746
flat angles P-C4'-P energy: -81.484
tors. eta vs tors. theta energy: -136.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1558.401218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.401218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.401218 (E_RNA)
where:
Base-Base interactions energy: -1010.682
where: short stacking energy: -447.951
Base-Backbone interact. energy: -4.972
local terms energy: -542.746615
where:
bonds (distance) C4'-P energy: -103.999
bonds (distance) P-C4' energy: -115.513
flat angles C4'-P-C4' energy: -122.364
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -115.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1486.129316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.129316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.129316 (E_RNA)
where:
Base-Base interactions energy: -941.461
where: short stacking energy: -445.484
Base-Backbone interact. energy: 2.155
local terms energy: -546.823103
where:
bonds (distance) C4'-P energy: -118.717
bonds (distance) P-C4' energy: -127.508
flat angles C4'-P-C4' energy: -119.900
flat angles P-C4'-P energy: -79.252
tors. eta vs tors. theta energy: -101.446
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: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1272.870897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.870897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.870897 (E_RNA)
where:
Base-Base interactions energy: -780.953
where: short stacking energy: -373.951
Base-Backbone interact. energy: 5.747
local terms energy: -497.664517
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -132.127
flat angles C4'-P-C4' energy: -115.575
flat angles P-C4'-P energy: -74.126
tors. eta vs tors. theta energy: -67.236
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1190.340454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.340454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.340454 (E_RNA)
where:
Base-Base interactions energy: -726.788
where: short stacking energy: -367.594
Base-Backbone interact. energy: 0.922
local terms energy: -464.474272
where:
bonds (distance) C4'-P energy: -90.155
bonds (distance) P-C4' energy: -119.448
flat angles C4'-P-C4' energy: -113.193
flat angles P-C4'-P energy: -77.399
tors. eta vs tors. theta energy: -64.280
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -974.701497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.701497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.701497 (E_RNA)
where:
Base-Base interactions energy: -546.575
where: short stacking energy: -284.148
Base-Backbone interact. energy: 0.668
local terms energy: -428.794594
where:
bonds (distance) C4'-P energy: -115.196
bonds (distance) P-C4' energy: -122.933
flat angles C4'-P-C4' energy: -112.604
flat angles P-C4'-P energy: -54.928
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -691.727980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.727980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.727980 (E_RNA)
where:
Base-Base interactions energy: -289.747
where: short stacking energy: -197.811
Base-Backbone interact. energy: -3.271
local terms energy: -398.710412
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -112.006
flat angles C4'-P-C4' energy: -113.771
flat angles P-C4'-P energy: -66.065
tors. eta vs tors. theta energy: -1.777
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -624.251320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.251320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.251320 (E_RNA)
where:
Base-Base interactions energy: -252.509
where: short stacking energy: -184.788
Base-Backbone interact. energy: -0.992
local terms energy: -370.750448
where:
bonds (distance) C4'-P energy: -116.872
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -98.488
flat angles P-C4'-P energy: -50.986
tors. eta vs tors. theta energy: 8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -493.033592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.033592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.033592 (E_RNA)
where:
Base-Base interactions energy: -152.305
where: short stacking energy: -118.805
Base-Backbone interact. energy: 0.253
local terms energy: -340.982247
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -112.563
flat angles C4'-P-C4' energy: -99.100
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: 23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1851.284338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.284338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.284338 (E_RNA)
where:
Base-Base interactions energy: -1227.315
where: short stacking energy: -550.835
Base-Backbone interact. energy: 0.956
local terms energy: -624.925893
where:
bonds (distance) C4'-P energy: -125.284
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -132.602
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -149.271
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1670.028294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.028294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.028294 (E_RNA)
where:
Base-Base interactions energy: -1061.266
where: short stacking energy: -508.545
Base-Backbone interact. energy: -2.193
local terms energy: -606.568784
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -125.637
flat angles C4'-P-C4' energy: -127.991
flat angles P-C4'-P energy: -93.969
tors. eta vs tors. theta energy: -126.607
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1590.930890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.930890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.930890 (E_RNA)
where:
Base-Base interactions energy: -1013.097
where: short stacking energy: -480.500
Base-Backbone interact. energy: -3.545
local terms energy: -574.289130
where:
bonds (distance) C4'-P energy: -104.002
bonds (distance) P-C4' energy: -132.598
flat angles C4'-P-C4' energy: -134.449
flat angles P-C4'-P energy: -67.881
tors. eta vs tors. theta energy: -135.360
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1481.896234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.896234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.896234 (E_RNA)
where:
Base-Base interactions energy: -955.776
where: short stacking energy: -434.353
Base-Backbone interact. energy: -0.368
local terms energy: -525.751585
where:
bonds (distance) C4'-P energy: -106.535
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -118.417
flat angles P-C4'-P energy: -81.465
tors. eta vs tors. theta energy: -105.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1193.946798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.946798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.946798 (E_RNA)
where:
Base-Base interactions energy: -707.214
where: short stacking energy: -357.675
Base-Backbone interact. energy: 0.224
local terms energy: -486.956885
where:
bonds (distance) C4'-P energy: -112.483
bonds (distance) P-C4' energy: -108.080
flat angles C4'-P-C4' energy: -129.391
flat angles P-C4'-P energy: -80.612
tors. eta vs tors. theta energy: -56.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1137.829390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.829390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.829390 (E_RNA)
where:
Base-Base interactions energy: -674.659
where: short stacking energy: -361.860
Base-Backbone interact. energy: -3.463
local terms energy: -459.706888
where:
bonds (distance) C4'-P energy: -107.826
bonds (distance) P-C4' energy: -108.841
flat angles C4'-P-C4' energy: -109.387
flat angles P-C4'-P energy: -57.387
tors. eta vs tors. theta energy: -76.266
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: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1012.350938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.350938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.350938 (E_RNA)
where:
Base-Base interactions energy: -603.123
where: short stacking energy: -287.927
Base-Backbone interact. energy: -0.955
local terms energy: -408.272964
where:
bonds (distance) C4'-P energy: -118.689
bonds (distance) P-C4' energy: -101.780
flat angles C4'-P-C4' energy: -97.107
flat angles P-C4'-P energy: -50.308
tors. eta vs tors. theta energy: -40.389
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: 27
Temperature: 1.250000
Total energy: -715.887933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.887933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.887933 (E_RNA)
where:
Base-Base interactions energy: -311.940
where: short stacking energy: -221.472
Base-Backbone interact. energy: -2.518
local terms energy: -401.429491
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -125.159
flat angles C4'-P-C4' energy: -98.480
flat angles P-C4'-P energy: -53.270
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -577.941340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.941340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.941340 (E_RNA)
where:
Base-Base interactions energy: -212.503
where: short stacking energy: -156.944
Base-Backbone interact. energy: -3.000
local terms energy: -362.438194
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -103.402
flat angles C4'-P-C4' energy: -94.292
flat angles P-C4'-P energy: -67.333
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -490.222130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.222130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.222130 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -144.422
Base-Backbone interact. energy: 7.451
local terms energy: -307.781195
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -92.312
flat angles C4'-P-C4' energy: -78.938
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: 25.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1811.032561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.032561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.032561 (E_RNA)
where:
Base-Base interactions energy: -1175.219
where: short stacking energy: -519.547
Base-Backbone interact. energy: -5.762
local terms energy: -630.051387
where:
bonds (distance) C4'-P energy: -127.663
bonds (distance) P-C4' energy: -126.919
flat angles C4'-P-C4' energy: -136.722
flat angles P-C4'-P energy: -92.283
tors. eta vs tors. theta energy: -146.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1701.450401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.450401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.450401 (E_RNA)
where:
Base-Base interactions energy: -1113.684
where: short stacking energy: -489.025
Base-Backbone interact. energy: 3.025
local terms energy: -590.791871
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -126.202
flat angles C4'-P-C4' energy: -139.069
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -122.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1661.051588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.051588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.051588 (E_RNA)
where:
Base-Base interactions energy: -1100.451
where: short stacking energy: -502.437
Base-Backbone interact. energy: -2.520
local terms energy: -558.080864
where:
bonds (distance) C4'-P energy: -114.912
bonds (distance) P-C4' energy: -115.190
flat angles C4'-P-C4' energy: -127.165
flat angles P-C4'-P energy: -75.086
tors. eta vs tors. theta energy: -125.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1480.614352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.614352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.614352 (E_RNA)
where:
Base-Base interactions energy: -943.615
where: short stacking energy: -472.851
Base-Backbone interact. energy: -2.238
local terms energy: -534.761381
where:
bonds (distance) C4'-P energy: -114.171
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -128.572
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -110.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1264.322904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.322904 (E_RNA)
where:
Base-Base interactions energy: -779.867
where: short stacking energy: -361.980
Base-Backbone interact. energy: -3.058
local terms energy: -481.398225
where:
bonds (distance) C4'-P energy: -99.718
bonds (distance) P-C4' energy: -110.321
flat angles C4'-P-C4' energy: -125.868
flat angles P-C4'-P energy: -81.165
tors. eta vs tors. theta energy: -64.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1200.116978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.116978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.116978 (E_RNA)
where:
Base-Base interactions energy: -695.312
where: short stacking energy: -376.142
Base-Backbone interact. energy: -4.204
local terms energy: -500.600930
where:
bonds (distance) C4'-P energy: -120.562
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -112.029
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -83.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -955.974251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.974251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.974251 (E_RNA)
where:
Base-Base interactions energy: -521.838
where: short stacking energy: -274.091
Base-Backbone interact. energy: -3.049
local terms energy: -431.086718
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -105.221
flat angles P-C4'-P energy: -59.129
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -699.179957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.179957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.179957 (E_RNA)
where:
Base-Base interactions energy: -312.559
where: short stacking energy: -205.215
Base-Backbone interact. energy: 3.288
local terms energy: -389.908771
where:
bonds (distance) C4'-P energy: -89.967
bonds (distance) P-C4' energy: -100.445
flat angles C4'-P-C4' energy: -123.550
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -544.839284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.839284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.839284 (E_RNA)
where:
Base-Base interactions energy: -229.610
where: short stacking energy: -165.570
Base-Backbone interact. energy: -3.712
local terms energy: -311.517321
where:
bonds (distance) C4'-P energy: -92.239
bonds (distance) P-C4' energy: -102.021
flat angles C4'-P-C4' energy: -84.382
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: 21.116
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: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -492.299890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.299890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.299890 (E_RNA)
where:
Base-Base interactions energy: -186.142
where: short stacking energy: -147.109
Base-Backbone interact. energy: 2.363
local terms energy: -308.520372
where:
bonds (distance) C4'-P energy: -99.805
bonds (distance) P-C4' energy: -94.487
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -51.023
tors. eta vs tors. theta energy: 12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1827.619535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.619535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.619535 (E_RNA)
where:
Base-Base interactions energy: -1203.789
where: short stacking energy: -532.304
Base-Backbone interact. energy: -2.090
local terms energy: -621.740493
where:
bonds (distance) C4'-P energy: -120.972
bonds (distance) P-C4' energy: -138.898
flat angles C4'-P-C4' energy: -123.919
flat angles P-C4'-P energy: -95.300
tors. eta vs tors. theta energy: -142.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1726.201466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.201466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.201466 (E_RNA)
where:
Base-Base interactions energy: -1108.996
where: short stacking energy: -502.667
Base-Backbone interact. energy: -2.421
local terms energy: -614.784391
where:
bonds (distance) C4'-P energy: -136.311
bonds (distance) P-C4' energy: -126.768
flat angles C4'-P-C4' energy: -138.116
flat angles P-C4'-P energy: -83.223
tors. eta vs tors. theta energy: -130.366
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: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1650.877747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.877747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.877747 (E_RNA)
where:
Base-Base interactions energy: -1074.697
where: short stacking energy: -528.104
Base-Backbone interact. energy: -4.272
local terms energy: -571.909043
where:
bonds (distance) C4'-P energy: -102.344
bonds (distance) P-C4' energy: -134.349
flat angles C4'-P-C4' energy: -136.141
flat angles P-C4'-P energy: -68.983
tors. eta vs tors. theta energy: -130.091
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: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1489.441581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.441581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.441581 (E_RNA)
where:
Base-Base interactions energy: -953.647
where: short stacking energy: -465.292
Base-Backbone interact. energy: -3.269
local terms energy: -532.525456
where:
bonds (distance) C4'-P energy: -117.558
bonds (distance) P-C4' energy: -113.175
flat angles C4'-P-C4' energy: -127.796
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -103.676
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: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1246.147205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.147205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.147205 (E_RNA)
where:
Base-Base interactions energy: -747.068
where: short stacking energy: -355.558
Base-Backbone interact. energy: -3.340
local terms energy: -495.738958
where:
bonds (distance) C4'-P energy: -111.396
bonds (distance) P-C4' energy: -127.652
flat angles C4'-P-C4' energy: -115.931
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -58.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1178.731713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.731713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.731713 (E_RNA)
where:
Base-Base interactions energy: -697.123
where: short stacking energy: -344.559
Base-Backbone interact. energy: 4.110
local terms energy: -485.719055
where:
bonds (distance) C4'-P energy: -109.807
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -103.140
flat angles P-C4'-P energy: -87.097
tors. eta vs tors. theta energy: -64.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -981.829937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.829937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.829937 (E_RNA)
where:
Base-Base interactions energy: -541.656
where: short stacking energy: -266.433
Base-Backbone interact. energy: -1.197
local terms energy: -438.976691
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -102.123
flat angles C4'-P-C4' energy: -104.520
flat angles P-C4'-P energy: -70.097
tors. eta vs tors. theta energy: -47.142
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: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -713.041499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.041499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.041499 (E_RNA)
where:
Base-Base interactions energy: -335.839
where: short stacking energy: -220.665
Base-Backbone interact. energy: -1.421
local terms energy: -375.780837
where:
bonds (distance) C4'-P energy: -102.829
bonds (distance) P-C4' energy: -113.081
flat angles C4'-P-C4' energy: -89.255
flat angles P-C4'-P energy: -50.768
tors. eta vs tors. theta energy: -19.849
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -537.012988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.012988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.012988 (E_RNA)
where:
Base-Base interactions energy: -222.365
where: short stacking energy: -148.083
Base-Backbone interact. energy: 1.294
local terms energy: -315.941930
where:
bonds (distance) C4'-P energy: -94.835
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -93.313
flat angles P-C4'-P energy: -55.574
tors. eta vs tors. theta energy: 36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -531.844349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.844349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.844349 (E_RNA)
where:
Base-Base interactions energy: -200.011
where: short stacking energy: -150.666
Base-Backbone interact. energy: -1.450
local terms energy: -330.383447
where:
bonds (distance) C4'-P energy: -93.264
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -83.684
flat angles P-C4'-P energy: -54.291
tors. eta vs tors. theta energy: 0.676
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: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1811.648213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.648213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.648213 (E_RNA)
where:
Base-Base interactions energy: -1174.837
where: short stacking energy: -511.012
Base-Backbone interact. energy: -7.213
local terms energy: -629.598139
where:
bonds (distance) C4'-P energy: -123.575
bonds (distance) P-C4' energy: -142.701
flat angles C4'-P-C4' energy: -138.171
flat angles P-C4'-P energy: -88.342
tors. eta vs tors. theta energy: -136.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1708.431830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.431830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.431830 (E_RNA)
where:
Base-Base interactions energy: -1136.422
where: short stacking energy: -517.631
Base-Backbone interact. energy: -1.582
local terms energy: -570.427862
where:
bonds (distance) C4'-P energy: -107.964
bonds (distance) P-C4' energy: -119.896
flat angles C4'-P-C4' energy: -134.890
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -117.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1665.667306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.667306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.667306 (E_RNA)
where:
Base-Base interactions energy: -1094.590
where: short stacking energy: -513.455
Base-Backbone interact. energy: -0.830
local terms energy: -570.246860
where:
bonds (distance) C4'-P energy: -108.808
bonds (distance) P-C4' energy: -117.882
flat angles C4'-P-C4' energy: -116.603
flat angles P-C4'-P energy: -84.191
tors. eta vs tors. theta energy: -142.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1462.103968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.103968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.103968 (E_RNA)
where:
Base-Base interactions energy: -929.060
where: short stacking energy: -434.105
Base-Backbone interact. energy: -1.646
local terms energy: -531.398557
where:
bonds (distance) C4'-P energy: -110.789
bonds (distance) P-C4' energy: -125.756
flat angles C4'-P-C4' energy: -109.015
flat angles P-C4'-P energy: -75.169
tors. eta vs tors. theta energy: -110.671
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: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1256.898300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.898300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.898300 (E_RNA)
where:
Base-Base interactions energy: -739.644
where: short stacking energy: -381.434
Base-Backbone interact. energy: -2.520
local terms energy: -514.734020
where:
bonds (distance) C4'-P energy: -121.884
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -79.370
tors. eta vs tors. theta energy: -95.769
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: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1161.945651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.945651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.945651 (E_RNA)
where:
Base-Base interactions energy: -695.679
where: short stacking energy: -365.012
Base-Backbone interact. energy: -3.213
local terms energy: -463.053724
where:
bonds (distance) C4'-P energy: -111.023
bonds (distance) P-C4' energy: -112.447
flat angles C4'-P-C4' energy: -102.403
flat angles P-C4'-P energy: -70.148
tors. eta vs tors. theta energy: -67.033
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: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -977.831369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.831369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.831369 (E_RNA)
where:
Base-Base interactions energy: -551.671
where: short stacking energy: -272.582
Base-Backbone interact. energy: 1.854
local terms energy: -428.014986
where:
bonds (distance) C4'-P energy: -111.717
bonds (distance) P-C4' energy: -124.124
flat angles C4'-P-C4' energy: -95.345
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -28.473
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: 30
Temperature: 1.250000
Total energy: -751.321463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.321463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.321463 (E_RNA)
where:
Base-Base interactions energy: -381.241
where: short stacking energy: -215.595
Base-Backbone interact. energy: 4.648
local terms energy: -374.728859
where:
bonds (distance) C4'-P energy: -109.109
bonds (distance) P-C4' energy: -113.720
flat angles C4'-P-C4' energy: -83.964
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -519.046168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.046168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.046168 (E_RNA)
where:
Base-Base interactions energy: -213.980
where: short stacking energy: -162.316
Base-Backbone interact. energy: -0.161
local terms energy: -304.904844
where:
bonds (distance) C4'-P energy: -91.908
bonds (distance) P-C4' energy: -107.804
flat angles C4'-P-C4' energy: -95.567
flat angles P-C4'-P energy: -48.088
tors. eta vs tors. theta energy: 38.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -520.271848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.271848 (E_RNA)
where:
Base-Base interactions energy: -189.780
where: short stacking energy: -141.941
Base-Backbone interact. energy: 3.109
local terms energy: -333.600909
where:
bonds (distance) C4'-P energy: -114.624
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -81.207
flat angles P-C4'-P energy: -49.818
tors. eta vs tors. theta energy: 4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1791.946259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.946259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.946259 (E_RNA)
where:
Base-Base interactions energy: -1186.957
where: short stacking energy: -518.365
Base-Backbone interact. energy: -0.148
local terms energy: -604.840642
where:
bonds (distance) C4'-P energy: -131.650
bonds (distance) P-C4' energy: -125.395
flat angles C4'-P-C4' energy: -129.841
flat angles P-C4'-P energy: -91.320
tors. eta vs tors. theta energy: -126.635
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1720.328293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.328293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.328293 (E_RNA)
where:
Base-Base interactions energy: -1119.735
where: short stacking energy: -497.045
Base-Backbone interact. energy: -3.263
local terms energy: -597.330570
where:
bonds (distance) C4'-P energy: -118.768
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -134.052
flat angles P-C4'-P energy: -91.054
tors. eta vs tors. theta energy: -116.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1729.053788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.053788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.053788 (E_RNA)
where:
Base-Base interactions energy: -1114.108
where: short stacking energy: -511.807
Base-Backbone interact. energy: -7.945
local terms energy: -606.999902
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -121.822
flat angles C4'-P-C4' energy: -129.756
flat angles P-C4'-P energy: -89.125
tors. eta vs tors. theta energy: -145.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1543.292429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.292429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.292429 (E_RNA)
where:
Base-Base interactions energy: -996.484
where: short stacking energy: -468.389
Base-Backbone interact. energy: -2.408
local terms energy: -544.400610
where:
bonds (distance) C4'-P energy: -106.956
bonds (distance) P-C4' energy: -124.208
flat angles C4'-P-C4' energy: -131.699
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -101.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1302.221732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.221732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.221732 (E_RNA)
where:
Base-Base interactions energy: -776.836
where: short stacking energy: -381.041
Base-Backbone interact. energy: -2.779
local terms energy: -522.607030
where:
bonds (distance) C4'-P energy: -126.394
bonds (distance) P-C4' energy: -130.336
flat angles C4'-P-C4' energy: -119.106
flat angles P-C4'-P energy: -63.073
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: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1210.802219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.802219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.802219 (E_RNA)
where:
Base-Base interactions energy: -733.378
where: short stacking energy: -317.239
Base-Backbone interact. energy: -0.041
local terms energy: -477.383080
where:
bonds (distance) C4'-P energy: -117.387
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -115.963
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -61.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -933.959004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.959004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.959004 (E_RNA)
where:
Base-Base interactions energy: -538.023
where: short stacking energy: -268.122
Base-Backbone interact. energy: -1.087
local terms energy: -394.849168
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -113.989
flat angles C4'-P-C4' energy: -111.476
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -790.956630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.956630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.956630 (E_RNA)
where:
Base-Base interactions energy: -372.327
where: short stacking energy: -205.159
Base-Backbone interact. energy: -2.379
local terms energy: -416.251213
where:
bonds (distance) C4'-P energy: -102.668
bonds (distance) P-C4' energy: -120.454
flat angles C4'-P-C4' energy: -108.225
flat angles P-C4'-P energy: -67.096
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -551.526559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.526559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.526559 (E_RNA)
where:
Base-Base interactions energy: -222.534
where: short stacking energy: -190.379
Base-Backbone interact. energy: -1.180
local terms energy: -327.812466
where:
bonds (distance) C4'-P energy: -99.201
bonds (distance) P-C4' energy: -119.888
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: 14.208
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -499.995156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.995156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.995156 (E_RNA)
where:
Base-Base interactions energy: -180.466
where: short stacking energy: -138.977
Base-Backbone interact. energy: 1.910
local terms energy: -321.438667
where:
bonds (distance) C4'-P energy: -95.278
bonds (distance) P-C4' energy: -118.083
flat angles C4'-P-C4' energy: -80.984
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: 28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1810.187970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.187970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.187970 (E_RNA)
where:
Base-Base interactions energy: -1194.168
where: short stacking energy: -522.224
Base-Backbone interact. energy: -3.912
local terms energy: -612.107768
where:
bonds (distance) C4'-P energy: -131.640
bonds (distance) P-C4' energy: -132.529
flat angles C4'-P-C4' energy: -132.055
flat angles P-C4'-P energy: -89.540
tors. eta vs tors. theta energy: -126.343
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1748.156745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.156745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.156745 (E_RNA)
where:
Base-Base interactions energy: -1178.502
where: short stacking energy: -487.953
Base-Backbone interact. energy: -2.296
local terms energy: -567.358428
where:
bonds (distance) C4'-P energy: -118.342
bonds (distance) P-C4' energy: -120.489
flat angles C4'-P-C4' energy: -118.158
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: -124.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1703.830995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.830995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.830995 (E_RNA)
where:
Base-Base interactions energy: -1105.398
where: short stacking energy: -513.688
Base-Backbone interact. energy: -2.081
local terms energy: -596.352018
where:
bonds (distance) C4'-P energy: -122.966
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -136.121
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -124.188
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1560.572785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.572785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.572785 (E_RNA)
where:
Base-Base interactions energy: -1002.257
where: short stacking energy: -473.886
Base-Backbone interact. energy: 2.256
local terms energy: -560.571929
where:
bonds (distance) C4'-P energy: -122.511
bonds (distance) P-C4' energy: -111.722
flat angles C4'-P-C4' energy: -128.762
flat angles P-C4'-P energy: -88.480
tors. eta vs tors. theta energy: -109.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1398.391680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.391680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.391680 (E_RNA)
where:
Base-Base interactions energy: -897.479
where: short stacking energy: -430.300
Base-Backbone interact. energy: 5.579
local terms energy: -506.492205
where:
bonds (distance) C4'-P energy: -121.470
bonds (distance) P-C4' energy: -112.390
flat angles C4'-P-C4' energy: -113.602
flat angles P-C4'-P energy: -56.097
tors. eta vs tors. theta energy: -102.933
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: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1243.671524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.671524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.671524 (E_RNA)
where:
Base-Base interactions energy: -766.598
where: short stacking energy: -381.469
Base-Backbone interact. energy: 0.757
local terms energy: -477.830870
where:
bonds (distance) C4'-P energy: -94.481
bonds (distance) P-C4' energy: -107.136
flat angles C4'-P-C4' energy: -119.971
flat angles P-C4'-P energy: -73.986
tors. eta vs tors. theta energy: -82.257
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -997.529082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.529082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.529082 (E_RNA)
where:
Base-Base interactions energy: -540.245
where: short stacking energy: -313.386
Base-Backbone interact. energy: -1.357
local terms energy: -455.927020
where:
bonds (distance) C4'-P energy: -113.171
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -66.140
tors. eta vs tors. theta energy: -59.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -758.937506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.937506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.937506 (E_RNA)
where:
Base-Base interactions energy: -413.333
where: short stacking energy: -240.739
Base-Backbone interact. energy: -2.320
local terms energy: -343.283984
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -96.566
flat angles C4'-P-C4' energy: -104.974
flat angles P-C4'-P energy: -37.450
tors. eta vs tors. theta energy: -1.004
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: 32
Temperature: 1.300000
Total energy: -528.849153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.849153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.849153 (E_RNA)
where:
Base-Base interactions energy: -160.222
where: short stacking energy: -117.426
Base-Backbone interact. energy: 0.288
local terms energy: -368.915057
where:
bonds (distance) C4'-P energy: -118.157
bonds (distance) P-C4' energy: -120.348
flat angles C4'-P-C4' energy: -101.514
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: 23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -509.819935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.819935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.819935 (E_RNA)
where:
Base-Base interactions energy: -205.637
where: short stacking energy: -140.951
Base-Backbone interact. energy: 4.911
local terms energy: -309.093870
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -122.301
flat angles C4'-P-C4' energy: -91.468
flat angles P-C4'-P energy: -51.894
tors. eta vs tors. theta energy: 47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1835.621026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.621026 (E_RNA)
where:
Base-Base interactions energy: -1222.464
where: short stacking energy: -532.748
Base-Backbone interact. energy: -2.207
local terms energy: -610.949808
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -126.771
flat angles C4'-P-C4' energy: -131.204
flat angles P-C4'-P energy: -91.394
tors. eta vs tors. theta energy: -132.653
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1823.069207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.069207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.069207 (E_RNA)
where:
Base-Base interactions energy: -1197.089
where: short stacking energy: -565.888
Base-Backbone interact. energy: -0.241
local terms energy: -625.739190
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -132.557
flat angles C4'-P-C4' energy: -136.789
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -154.471
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: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1657.693754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.693754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.693754 (E_RNA)
where:
Base-Base interactions energy: -1111.780
where: short stacking energy: -479.971
Base-Backbone interact. energy: -2.504
local terms energy: -543.409860
where:
bonds (distance) C4'-P energy: -126.930
bonds (distance) P-C4' energy: -111.247
flat angles C4'-P-C4' energy: -124.537
flat angles P-C4'-P energy: -73.699
tors. eta vs tors. theta energy: -106.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1572.170867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.170867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.170867 (E_RNA)
where:
Base-Base interactions energy: -1029.899
where: short stacking energy: -456.754
Base-Backbone interact. energy: -3.824
local terms energy: -538.448156
where:
bonds (distance) C4'-P energy: -105.831
bonds (distance) P-C4' energy: -125.078
flat angles C4'-P-C4' energy: -128.854
flat angles P-C4'-P energy: -70.424
tors. eta vs tors. theta energy: -108.261
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: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1390.044317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.044317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.044317 (E_RNA)
where:
Base-Base interactions energy: -851.144
where: short stacking energy: -436.677
Base-Backbone interact. energy: 0.078
local terms energy: -538.977978
where:
bonds (distance) C4'-P energy: -113.976
bonds (distance) P-C4' energy: -124.653
flat angles C4'-P-C4' energy: -112.866
flat angles P-C4'-P energy: -82.431
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: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1304.550427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.550427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.550427 (E_RNA)
where:
Base-Base interactions energy: -821.677
where: short stacking energy: -370.640
Base-Backbone interact. energy: 1.404
local terms energy: -484.277324
where:
bonds (distance) C4'-P energy: -117.234
bonds (distance) P-C4' energy: -101.729
flat angles C4'-P-C4' energy: -129.136
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -81.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -876.418393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.418393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.418393 (E_RNA)
where:
Base-Base interactions energy: -440.206
where: short stacking energy: -261.563
Base-Backbone interact. energy: -0.566
local terms energy: -435.646171
where:
bonds (distance) C4'-P energy: -100.860
bonds (distance) P-C4' energy: -106.359
flat angles C4'-P-C4' energy: -106.703
flat angles P-C4'-P energy: -79.039
tors. eta vs tors. theta energy: -42.685
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -754.617290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.617290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.617290 (E_RNA)
where:
Base-Base interactions energy: -374.764
where: short stacking energy: -223.852
Base-Backbone interact. energy: 0.260
local terms energy: -380.114055
where:
bonds (distance) C4'-P energy: -89.213
bonds (distance) P-C4' energy: -114.457
flat angles C4'-P-C4' energy: -90.901
flat angles P-C4'-P energy: -66.849
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -572.101588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.101588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.101588 (E_RNA)
where:
Base-Base interactions energy: -247.127
where: short stacking energy: -170.696
Base-Backbone interact. energy: -0.647
local terms energy: -324.327291
where:
bonds (distance) C4'-P energy: -96.362
bonds (distance) P-C4' energy: -109.838
flat angles C4'-P-C4' energy: -86.470
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: 15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -535.890034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.890034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.890034 (E_RNA)
where:
Base-Base interactions energy: -196.997
where: short stacking energy: -134.218
Base-Backbone interact. energy: 5.043
local terms energy: -343.935801
where:
bonds (distance) C4'-P energy: -104.383
bonds (distance) P-C4' energy: -109.440
flat angles C4'-P-C4' energy: -100.928
flat angles P-C4'-P energy: -45.853
tors. eta vs tors. theta energy: 16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1906.300148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.300148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.300148 (E_RNA)
where:
Base-Base interactions energy: -1269.902
where: short stacking energy: -593.970
Base-Backbone interact. energy: -2.954
local terms energy: -633.444372
where:
bonds (distance) C4'-P energy: -118.656
bonds (distance) P-C4' energy: -112.549
flat angles C4'-P-C4' energy: -147.420
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -167.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1765.367864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.367864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.367864 (E_RNA)
where:
Base-Base interactions energy: -1161.523
where: short stacking energy: -514.746
Base-Backbone interact. energy: -2.484
local terms energy: -601.361573
where:
bonds (distance) C4'-P energy: -122.960
bonds (distance) P-C4' energy: -128.473
flat angles C4'-P-C4' energy: -136.796
flat angles P-C4'-P energy: -82.294
tors. eta vs tors. theta energy: -130.837
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1650.696703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.696703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.696703 (E_RNA)
where:
Base-Base interactions energy: -1120.262
where: short stacking energy: -497.744
Base-Backbone interact. energy: -7.260
local terms energy: -523.173910
where:
bonds (distance) C4'-P energy: -101.240
bonds (distance) P-C4' energy: -119.970
flat angles C4'-P-C4' energy: -120.240
flat angles P-C4'-P energy: -61.363
tors. eta vs tors. theta energy: -120.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1566.069094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.069094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.069094 (E_RNA)
where:
Base-Base interactions energy: -1009.601
where: short stacking energy: -431.184
Base-Backbone interact. energy: -5.988
local terms energy: -550.479829
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -121.236
flat angles C4'-P-C4' energy: -126.573
flat angles P-C4'-P energy: -76.281
tors. eta vs tors. theta energy: -107.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1379.381627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.381627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.381627 (E_RNA)
where:
Base-Base interactions energy: -864.321
where: short stacking energy: -406.234
Base-Backbone interact. energy: -5.079
local terms energy: -509.982493
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -115.326
flat angles C4'-P-C4' energy: -112.015
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -91.574
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: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1242.507080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.507080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.507080 (E_RNA)
where:
Base-Base interactions energy: -777.444
where: short stacking energy: -349.062
Base-Backbone interact. energy: -1.305
local terms energy: -463.758246
where:
bonds (distance) C4'-P energy: -89.523
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -99.496
flat angles P-C4'-P energy: -76.777
tors. eta vs tors. theta energy: -76.158
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -917.257444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.257444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.257444 (E_RNA)
where:
Base-Base interactions energy: -502.629
where: short stacking energy: -278.095
Base-Backbone interact. energy: -1.397
local terms energy: -413.231226
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -120.921
flat angles C4'-P-C4' energy: -87.552
flat angles P-C4'-P energy: -57.626
tors. eta vs tors. theta energy: -32.233
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: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -719.287587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.287587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.287587 (E_RNA)
where:
Base-Base interactions energy: -314.804
where: short stacking energy: -183.219
Base-Backbone interact. energy: -4.423
local terms energy: -400.060658
where:
bonds (distance) C4'-P energy: -88.881
bonds (distance) P-C4' energy: -117.775
flat angles C4'-P-C4' energy: -110.718
flat angles P-C4'-P energy: -66.789
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -570.224324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.224324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.224324 (E_RNA)
where:
Base-Base interactions energy: -256.760
where: short stacking energy: -166.705
Base-Backbone interact. energy: 3.552
local terms energy: -317.016246
where:
bonds (distance) C4'-P energy: -103.975
bonds (distance) P-C4' energy: -94.714
flat angles C4'-P-C4' energy: -88.604
flat angles P-C4'-P energy: -52.731
tors. eta vs tors. theta energy: 23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -547.720410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.720410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.720410 (E_RNA)
where:
Base-Base interactions energy: -235.456
where: short stacking energy: -152.403
Base-Backbone interact. energy: 4.587
local terms energy: -316.852137
where:
bonds (distance) C4'-P energy: -100.597
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -87.802
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: 18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1917.827501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.827501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.827501 (E_RNA)
where:
Base-Base interactions energy: -1279.305
where: short stacking energy: -587.925
Base-Backbone interact. energy: -4.923
local terms energy: -633.599421
where:
bonds (distance) C4'-P energy: -136.350
bonds (distance) P-C4' energy: -125.107
flat angles C4'-P-C4' energy: -142.119
flat angles P-C4'-P energy: -77.158
tors. eta vs tors. theta energy: -152.865
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: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1738.281479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.281479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.281479 (E_RNA)
where:
Base-Base interactions energy: -1161.530
where: short stacking energy: -463.141
Base-Backbone interact. energy: -2.913
local terms energy: -573.838200
where:
bonds (distance) C4'-P energy: -122.421
bonds (distance) P-C4' energy: -140.825
flat angles C4'-P-C4' energy: -128.516
flat angles P-C4'-P energy: -69.410
tors. eta vs tors. theta energy: -112.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1677.391476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.391476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.391476 (E_RNA)
where:
Base-Base interactions energy: -1103.916
where: short stacking energy: -512.806
Base-Backbone interact. energy: -4.873
local terms energy: -568.602137
where:
bonds (distance) C4'-P energy: -97.025
bonds (distance) P-C4' energy: -118.307
flat angles C4'-P-C4' energy: -131.387
flat angles P-C4'-P energy: -84.908
tors. eta vs tors. theta energy: -136.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1615.475285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.475285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.475285 (E_RNA)
where:
Base-Base interactions energy: -1062.858
where: short stacking energy: -482.596
Base-Backbone interact. energy: 4.893
local terms energy: -557.510789
where:
bonds (distance) C4'-P energy: -124.140
bonds (distance) P-C4' energy: -116.575
flat angles C4'-P-C4' energy: -121.497
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -106.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1364.788326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.788326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.788326 (E_RNA)
where:
Base-Base interactions energy: -865.688
where: short stacking energy: -437.568
Base-Backbone interact. energy: 0.927
local terms energy: -500.028152
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -126.915
flat angles C4'-P-C4' energy: -110.077
flat angles P-C4'-P energy: -67.543
tors. eta vs tors. theta energy: -100.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1279.663159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.663159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.663159 (E_RNA)
where:
Base-Base interactions energy: -788.685
where: short stacking energy: -406.565
Base-Backbone interact. energy: 0.753
local terms energy: -491.730393
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -119.379
flat angles C4'-P-C4' energy: -113.387
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -103.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -966.435505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.435505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.435505 (E_RNA)
where:
Base-Base interactions energy: -544.157
where: short stacking energy: -305.572
Base-Backbone interact. energy: -2.041
local terms energy: -420.237844
where:
bonds (distance) C4'-P energy: -90.281
bonds (distance) P-C4' energy: -107.990
flat angles C4'-P-C4' energy: -114.703
flat angles P-C4'-P energy: -68.551
tors. eta vs tors. theta energy: -38.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -729.551554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.551554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.551554 (E_RNA)
where:
Base-Base interactions energy: -347.179
where: short stacking energy: -217.504
Base-Backbone interact. energy: 0.874
local terms energy: -383.246501
where:
bonds (distance) C4'-P energy: -92.014
bonds (distance) P-C4' energy: -109.049
flat angles C4'-P-C4' energy: -100.069
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -621.847485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.847485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.847485 (E_RNA)
where:
Base-Base interactions energy: -267.386
where: short stacking energy: -179.395
Base-Backbone interact. energy: 7.195
local terms energy: -361.657046
where:
bonds (distance) C4'-P energy: -100.124
bonds (distance) P-C4' energy: -114.403
flat angles C4'-P-C4' energy: -100.198
flat angles P-C4'-P energy: -48.262
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -502.676219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.676219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.676219 (E_RNA)
where:
Base-Base interactions energy: -202.465
where: short stacking energy: -181.134
Base-Backbone interact. energy: 6.131
local terms energy: -306.341373
where:
bonds (distance) C4'-P energy: -87.908
bonds (distance) P-C4' energy: -103.415
flat angles C4'-P-C4' energy: -73.833
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: 4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1883.549062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.549062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.549062 (E_RNA)
where:
Base-Base interactions energy: -1231.820
where: short stacking energy: -564.520
Base-Backbone interact. energy: -4.391
local terms energy: -647.337994
where:
bonds (distance) C4'-P energy: -117.638
bonds (distance) P-C4' energy: -129.463
flat angles C4'-P-C4' energy: -142.922
flat angles P-C4'-P energy: -97.156
tors. eta vs tors. theta energy: -160.160
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1750.663793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.663793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.663793 (E_RNA)
where:
Base-Base interactions energy: -1185.619
where: short stacking energy: -481.955
Base-Backbone interact. energy: -0.911
local terms energy: -564.133438
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -131.770
flat angles C4'-P-C4' energy: -122.238
flat angles P-C4'-P energy: -78.889
tors. eta vs tors. theta energy: -121.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1648.513862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.513862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.513862 (E_RNA)
where:
Base-Base interactions energy: -1061.459
where: short stacking energy: -498.238
Base-Backbone interact. energy: -3.921
local terms energy: -583.133973
where:
bonds (distance) C4'-P energy: -116.777
bonds (distance) P-C4' energy: -124.703
flat angles C4'-P-C4' energy: -128.922
flat angles P-C4'-P energy: -93.476
tors. eta vs tors. theta energy: -119.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1605.144013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.144013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.144013 (E_RNA)
where:
Base-Base interactions energy: -1047.410
where: short stacking energy: -483.760
Base-Backbone interact. energy: -2.900
local terms energy: -554.834273
where:
bonds (distance) C4'-P energy: -129.743
bonds (distance) P-C4' energy: -109.656
flat angles C4'-P-C4' energy: -126.485
flat angles P-C4'-P energy: -67.816
tors. eta vs tors. theta energy: -121.135
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: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1407.316177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.316177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.316177 (E_RNA)
where:
Base-Base interactions energy: -874.743
where: short stacking energy: -404.981
Base-Backbone interact. energy: 0.019
local terms energy: -532.591852
where:
bonds (distance) C4'-P energy: -116.708
bonds (distance) P-C4' energy: -125.447
flat angles C4'-P-C4' energy: -106.436
flat angles P-C4'-P energy: -75.605
tors. eta vs tors. theta energy: -108.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1233.936613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.936613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.936613 (E_RNA)
where:
Base-Base interactions energy: -769.942
where: short stacking energy: -394.273
Base-Backbone interact. energy: -0.814
local terms energy: -463.181530
where:
bonds (distance) C4'-P energy: -90.780
bonds (distance) P-C4' energy: -113.878
flat angles C4'-P-C4' energy: -104.202
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -104.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1006.160076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.160076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.160076 (E_RNA)
where:
Base-Base interactions energy: -565.195
where: short stacking energy: -290.752
Base-Backbone interact. energy: -1.703
local terms energy: -439.261324
where:
bonds (distance) C4'-P energy: -121.339
bonds (distance) P-C4' energy: -107.819
flat angles C4'-P-C4' energy: -107.769
flat angles P-C4'-P energy: -65.181
tors. eta vs tors. theta energy: -37.153
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: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -729.924479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.924479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.924479 (E_RNA)
where:
Base-Base interactions energy: -350.762
where: short stacking energy: -222.132
Base-Backbone interact. energy: -1.589
local terms energy: -377.573228
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -105.712
flat angles C4'-P-C4' energy: -103.333
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -553.183506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.183506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.183506 (E_RNA)
where:
Base-Base interactions energy: -210.007
where: short stacking energy: -175.909
Base-Backbone interact. energy: -1.271
local terms energy: -341.905480
where:
bonds (distance) C4'-P energy: -103.764
bonds (distance) P-C4' energy: -101.252
flat angles C4'-P-C4' energy: -89.621
flat angles P-C4'-P energy: -47.618
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -561.848911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.848911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.848911 (E_RNA)
where:
Base-Base interactions energy: -253.328
where: short stacking energy: -179.241
Base-Backbone interact. energy: -3.008
local terms energy: -305.512455
where:
bonds (distance) C4'-P energy: -104.165
bonds (distance) P-C4' energy: -90.853
flat angles C4'-P-C4' energy: -92.164
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: 15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1896.519212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.519212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.519212 (E_RNA)
where:
Base-Base interactions energy: -1242.899
where: short stacking energy: -542.476
Base-Backbone interact. energy: -3.051
local terms energy: -650.569317
where:
bonds (distance) C4'-P energy: -129.272
bonds (distance) P-C4' energy: -134.166
flat angles C4'-P-C4' energy: -145.206
flat angles P-C4'-P energy: -90.544
tors. eta vs tors. theta energy: -151.381
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1777.926271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.926271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.926271 (E_RNA)
where:
Base-Base interactions energy: -1173.574
where: short stacking energy: -491.607
Base-Backbone interact. energy: -4.563
local terms energy: -599.789572
where:
bonds (distance) C4'-P energy: -122.005
bonds (distance) P-C4' energy: -129.198
flat angles C4'-P-C4' energy: -137.203
flat angles P-C4'-P energy: -84.883
tors. eta vs tors. theta energy: -126.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1682.535381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.535381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.535381 (E_RNA)
where:
Base-Base interactions energy: -1096.145
where: short stacking energy: -502.686
Base-Backbone interact. energy: 0.184
local terms energy: -586.575115
where:
bonds (distance) C4'-P energy: -126.849
bonds (distance) P-C4' energy: -126.162
flat angles C4'-P-C4' energy: -125.834
flat angles P-C4'-P energy: -81.356
tors. eta vs tors. theta energy: -126.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1616.899800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.899800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.899800 (E_RNA)
where:
Base-Base interactions energy: -1089.700
where: short stacking energy: -488.427
Base-Backbone interact. energy: -3.454
local terms energy: -523.746413
where:
bonds (distance) C4'-P energy: -123.081
bonds (distance) P-C4' energy: -109.039
flat angles C4'-P-C4' energy: -124.705
flat angles P-C4'-P energy: -59.818
tors. eta vs tors. theta energy: -107.103
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: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1441.492753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.492753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.492753 (E_RNA)
where:
Base-Base interactions energy: -913.584
where: short stacking energy: -420.480
Base-Backbone interact. energy: -0.386
local terms energy: -527.522872
where:
bonds (distance) C4'-P energy: -114.117
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -121.747
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -97.858
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: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1236.734955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.734955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.734955 (E_RNA)
where:
Base-Base interactions energy: -747.888
where: short stacking energy: -366.439
Base-Backbone interact. energy: 3.181
local terms energy: -492.028378
where:
bonds (distance) C4'-P energy: -116.262
bonds (distance) P-C4' energy: -111.712
flat angles C4'-P-C4' energy: -108.205
flat angles P-C4'-P energy: -70.416
tors. eta vs tors. theta energy: -85.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1070.179292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.179292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.179292 (E_RNA)
where:
Base-Base interactions energy: -614.004
where: short stacking energy: -306.220
Base-Backbone interact. energy: -3.596
local terms energy: -452.579291
where:
bonds (distance) C4'-P energy: -119.982
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -107.010
flat angles P-C4'-P energy: -58.071
tors. eta vs tors. theta energy: -48.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -685.991723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.991723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.991723 (E_RNA)
where:
Base-Base interactions energy: -343.696
where: short stacking energy: -215.927
Base-Backbone interact. energy: -1.793
local terms energy: -340.502507
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -100.656
flat angles C4'-P-C4' energy: -82.041
flat angles P-C4'-P energy: -61.094
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -528.606805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.606805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.606805 (E_RNA)
where:
Base-Base interactions energy: -199.921
where: short stacking energy: -178.804
Base-Backbone interact. energy: 4.742
local terms energy: -333.427834
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -88.237
flat angles C4'-P-C4' energy: -95.850
flat angles P-C4'-P energy: -49.896
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: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -553.991603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.991603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.991603 (E_RNA)
where:
Base-Base interactions energy: -247.464
where: short stacking energy: -161.376
Base-Backbone interact. energy: 1.038
local terms energy: -307.565915
where:
bonds (distance) C4'-P energy: -102.535
bonds (distance) P-C4' energy: -86.831
flat angles C4'-P-C4' energy: -82.067
flat angles P-C4'-P energy: -69.710
tors. eta vs tors. theta energy: 33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1916.959668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.959668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.959668 (E_RNA)
where:
Base-Base interactions energy: -1268.255
where: short stacking energy: -574.433
Base-Backbone interact. energy: -3.514
local terms energy: -645.190465
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -136.772
flat angles C4'-P-C4' energy: -141.465
flat angles P-C4'-P energy: -93.321
tors. eta vs tors. theta energy: -151.685
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1784.783013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.783013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.783013 (E_RNA)
where:
Base-Base interactions energy: -1182.040
where: short stacking energy: -514.728
Base-Backbone interact. energy: -5.141
local terms energy: -597.602526
where:
bonds (distance) C4'-P energy: -131.593
bonds (distance) P-C4' energy: -130.794
flat angles C4'-P-C4' energy: -130.491
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -137.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1682.550985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.550985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.550985 (E_RNA)
where:
Base-Base interactions energy: -1109.555
where: short stacking energy: -519.606
Base-Backbone interact. energy: -1.056
local terms energy: -571.939929
where:
bonds (distance) C4'-P energy: -115.913
bonds (distance) P-C4' energy: -125.139
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -71.758
tors. eta vs tors. theta energy: -120.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1544.880419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.880419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.880419 (E_RNA)
where:
Base-Base interactions energy: -981.551
where: short stacking energy: -449.425
Base-Backbone interact. energy: 0.007
local terms energy: -563.335935
where:
bonds (distance) C4'-P energy: -118.773
bonds (distance) P-C4' energy: -127.101
flat angles C4'-P-C4' energy: -123.601
flat angles P-C4'-P energy: -82.437
tors. eta vs tors. theta energy: -111.424
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: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1425.731507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.731507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.731507 (E_RNA)
where:
Base-Base interactions energy: -920.562
where: short stacking energy: -426.315
Base-Backbone interact. energy: 0.514
local terms energy: -505.683345
where:
bonds (distance) C4'-P energy: -106.327
bonds (distance) P-C4' energy: -111.883
flat angles C4'-P-C4' energy: -121.409
flat angles P-C4'-P energy: -66.257
tors. eta vs tors. theta energy: -99.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1186.567175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.567175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.567175 (E_RNA)
where:
Base-Base interactions energy: -747.597
where: short stacking energy: -345.784
Base-Backbone interact. energy: 1.292
local terms energy: -440.261796
where:
bonds (distance) C4'-P energy: -113.549
bonds (distance) P-C4' energy: -92.030
flat angles C4'-P-C4' energy: -101.420
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: -67.812
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: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1074.256719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.256719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.256719 (E_RNA)
where:
Base-Base interactions energy: -644.625
where: short stacking energy: -295.950
Base-Backbone interact. energy: -0.128
local terms energy: -429.503467
where:
bonds (distance) C4'-P energy: -95.789
bonds (distance) P-C4' energy: -123.088
flat angles C4'-P-C4' energy: -94.926
flat angles P-C4'-P energy: -66.660
tors. eta vs tors. theta energy: -49.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -759.820796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.820796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.820796 (E_RNA)
where:
Base-Base interactions energy: -395.178
where: short stacking energy: -214.952
Base-Backbone interact. energy: -1.600
local terms energy: -363.043166
where:
bonds (distance) C4'-P energy: -115.771
bonds (distance) P-C4' energy: -95.464
flat angles C4'-P-C4' energy: -101.781
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -1.259
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -542.074902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.074902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.074902 (E_RNA)
where:
Base-Base interactions energy: -218.112
where: short stacking energy: -158.618
Base-Backbone interact. energy: -0.014
local terms energy: -323.949151
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -107.746
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -61.813
tors. eta vs tors. theta energy: 24.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -549.519284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.519284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.519284 (E_RNA)
where:
Base-Base interactions energy: -220.988
where: short stacking energy: -175.398
Base-Backbone interact. energy: 3.582
local terms energy: -332.112704
where:
bonds (distance) C4'-P energy: -102.517
bonds (distance) P-C4' energy: -101.311
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: 12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1892.667388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.667388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.667388 (E_RNA)
where:
Base-Base interactions energy: -1241.850
where: short stacking energy: -570.338
Base-Backbone interact. energy: -3.721
local terms energy: -647.096333
where:
bonds (distance) C4'-P energy: -132.942
bonds (distance) P-C4' energy: -124.393
flat angles C4'-P-C4' energy: -140.807
flat angles P-C4'-P energy: -96.547
tors. eta vs tors. theta energy: -152.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1850.548125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.548125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.548125 (E_RNA)
where:
Base-Base interactions energy: -1242.690
where: short stacking energy: -520.547
Base-Backbone interact. energy: -7.803
local terms energy: -600.055085
where:
bonds (distance) C4'-P energy: -122.853
bonds (distance) P-C4' energy: -126.514
flat angles C4'-P-C4' energy: -126.347
flat angles P-C4'-P energy: -81.032
tors. eta vs tors. theta energy: -143.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1721.270929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.270929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.270929 (E_RNA)
where:
Base-Base interactions energy: -1128.225
where: short stacking energy: -515.005
Base-Backbone interact. energy: -0.288
local terms energy: -592.757092
where:
bonds (distance) C4'-P energy: -117.054
bonds (distance) P-C4' energy: -133.986
flat angles C4'-P-C4' energy: -127.365
flat angles P-C4'-P energy: -82.542
tors. eta vs tors. theta energy: -131.810
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1566.930168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.930168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.930168 (E_RNA)
where:
Base-Base interactions energy: -1026.149
where: short stacking energy: -460.497
Base-Backbone interact. energy: -3.377
local terms energy: -537.404738
where:
bonds (distance) C4'-P energy: -113.810
bonds (distance) P-C4' energy: -115.390
flat angles C4'-P-C4' energy: -116.032
flat angles P-C4'-P energy: -78.114
tors. eta vs tors. theta energy: -114.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1434.295011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.295011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.295011 (E_RNA)
where:
Base-Base interactions energy: -911.030
where: short stacking energy: -412.138
Base-Backbone interact. energy: 1.014
local terms energy: -524.279532
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -117.224
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -90.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1177.149959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.149959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.149959 (E_RNA)
where:
Base-Base interactions energy: -718.058
where: short stacking energy: -349.317
Base-Backbone interact. energy: 0.374
local terms energy: -459.466000
where:
bonds (distance) C4'-P energy: -118.428
bonds (distance) P-C4' energy: -97.631
flat angles C4'-P-C4' energy: -100.277
flat angles P-C4'-P energy: -71.794
tors. eta vs tors. theta energy: -71.337
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1129.473687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.473687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.473687 (E_RNA)
where:
Base-Base interactions energy: -695.329
where: short stacking energy: -346.286
Base-Backbone interact. energy: -2.382
local terms energy: -431.763029
where:
bonds (distance) C4'-P energy: -80.643
bonds (distance) P-C4' energy: -112.794
flat angles C4'-P-C4' energy: -112.391
flat angles P-C4'-P energy: -58.472
tors. eta vs tors. theta energy: -67.463
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -850.596173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.596173 (E_RNA)
where:
Base-Base interactions energy: -465.491
where: short stacking energy: -269.473
Base-Backbone interact. energy: 1.778
local terms energy: -386.883327
where:
bonds (distance) C4'-P energy: -105.451
bonds (distance) P-C4' energy: -106.246
flat angles C4'-P-C4' energy: -92.130
flat angles P-C4'-P energy: -58.015
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -635.826412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.826412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.826412 (E_RNA)
where:
Base-Base interactions energy: -298.340
where: short stacking energy: -184.957
Base-Backbone interact. energy: 7.144
local terms energy: -344.630206
where:
bonds (distance) C4'-P energy: -98.155
bonds (distance) P-C4' energy: -109.346
flat angles C4'-P-C4' energy: -93.838
flat angles P-C4'-P energy: -50.211
tors. eta vs tors. theta energy: 6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -525.807547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.807547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.807547 (E_RNA)
where:
Base-Base interactions energy: -219.775
where: short stacking energy: -140.725
Base-Backbone interact. energy: 2.665
local terms energy: -308.697532
where:
bonds (distance) C4'-P energy: -90.077
bonds (distance) P-C4' energy: -103.384
flat angles C4'-P-C4' energy: -78.258
flat angles P-C4'-P energy: -62.713
tors. eta vs tors. theta energy: 25.734
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: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1899.251247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.251247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.251247 (E_RNA)
where:
Base-Base interactions energy: -1263.405
where: short stacking energy: -530.432
Base-Backbone interact. energy: -5.969
local terms energy: -629.876930
where:
bonds (distance) C4'-P energy: -134.960
bonds (distance) P-C4' energy: -132.593
flat angles C4'-P-C4' energy: -133.609
flat angles P-C4'-P energy: -85.490
tors. eta vs tors. theta energy: -143.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1775.090715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.090715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.090715 (E_RNA)
where:
Base-Base interactions energy: -1188.779
where: short stacking energy: -507.181
Base-Backbone interact. energy: -1.342
local terms energy: -584.969519
where:
bonds (distance) C4'-P energy: -113.757
bonds (distance) P-C4' energy: -124.782
flat angles C4'-P-C4' energy: -135.075
flat angles P-C4'-P energy: -87.339
tors. eta vs tors. theta energy: -124.017
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: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1692.297588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.297588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.297588 (E_RNA)
where:
Base-Base interactions energy: -1120.738
where: short stacking energy: -502.360
Base-Backbone interact. energy: -2.016
local terms energy: -569.542936
where:
bonds (distance) C4'-P energy: -117.256
bonds (distance) P-C4' energy: -125.612
flat angles C4'-P-C4' energy: -123.568
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -118.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1576.417719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.417719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.417719 (E_RNA)
where:
Base-Base interactions energy: -1031.725
where: short stacking energy: -464.522
Base-Backbone interact. energy: 0.622
local terms energy: -545.315431
where:
bonds (distance) C4'-P energy: -112.931
bonds (distance) P-C4' energy: -114.954
flat angles C4'-P-C4' energy: -129.898
flat angles P-C4'-P energy: -74.145
tors. eta vs tors. theta energy: -113.387
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1428.159102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.159102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.159102 (E_RNA)
where:
Base-Base interactions energy: -931.809
where: short stacking energy: -444.923
Base-Backbone interact. energy: 1.543
local terms energy: -497.893351
where:
bonds (distance) C4'-P energy: -106.936
bonds (distance) P-C4' energy: -105.500
flat angles C4'-P-C4' energy: -112.469
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -97.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1209.045006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.045006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.045006 (E_RNA)
where:
Base-Base interactions energy: -712.618
where: short stacking energy: -382.773
Base-Backbone interact. energy: 1.318
local terms energy: -497.744825
where:
bonds (distance) C4'-P energy: -121.439
bonds (distance) P-C4' energy: -118.666
flat angles C4'-P-C4' energy: -109.272
flat angles P-C4'-P energy: -61.617
tors. eta vs tors. theta energy: -86.750
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: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1117.767145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.767145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.767145 (E_RNA)
where:
Base-Base interactions energy: -656.421
where: short stacking energy: -346.941
Base-Backbone interact. energy: 2.569
local terms energy: -463.915406
where:
bonds (distance) C4'-P energy: -111.915
bonds (distance) P-C4' energy: -88.263
flat angles C4'-P-C4' energy: -113.617
flat angles P-C4'-P energy: -76.474
tors. eta vs tors. theta energy: -73.646
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: 40
Temperature: 1.250000
Total energy: -877.186232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.186232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.186232 (E_RNA)
where:
Base-Base interactions energy: -477.897
where: short stacking energy: -244.713
Base-Backbone interact. energy: -1.134
local terms energy: -398.155574
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -105.010
flat angles C4'-P-C4' energy: -102.909
flat angles P-C4'-P energy: -60.977
tors. eta vs tors. theta energy: -26.298
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: 40
Temperature: 1.300000
Total energy: -673.330949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.330949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.330949 (E_RNA)
where:
Base-Base interactions energy: -339.538
where: short stacking energy: -191.018
Base-Backbone interact. energy: 0.582
local terms energy: -334.374793
where:
bonds (distance) C4'-P energy: -96.250
bonds (distance) P-C4' energy: -107.232
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: 6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -563.295211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.295211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.295211 (E_RNA)
where:
Base-Base interactions energy: -241.252
where: short stacking energy: -140.467
Base-Backbone interact. energy: 0.087
local terms energy: -322.130461
where:
bonds (distance) C4'-P energy: -108.818
bonds (distance) P-C4' energy: -109.219
flat angles C4'-P-C4' energy: -89.899
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: 16.833
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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1913.210139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.210139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.210139 (E_RNA)
where:
Base-Base interactions energy: -1297.962
where: short stacking energy: -555.410
Base-Backbone interact. energy: -4.680
local terms energy: -610.568015
where:
bonds (distance) C4'-P energy: -128.730
bonds (distance) P-C4' energy: -113.065
flat angles C4'-P-C4' energy: -146.627
flat angles P-C4'-P energy: -75.548
tors. eta vs tors. theta energy: -146.598
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: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1815.083468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.083468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.083468 (E_RNA)
where:
Base-Base interactions energy: -1216.773
where: short stacking energy: -532.019
Base-Backbone interact. energy: -1.374
local terms energy: -596.936742
where:
bonds (distance) C4'-P energy: -115.924
bonds (distance) P-C4' energy: -129.275
flat angles C4'-P-C4' energy: -133.331
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -140.171
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: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1682.550431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.550431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.550431 (E_RNA)
where:
Base-Base interactions energy: -1092.767
where: short stacking energy: -522.618
Base-Backbone interact. energy: -2.364
local terms energy: -587.419354
where:
bonds (distance) C4'-P energy: -132.002
bonds (distance) P-C4' energy: -116.076
flat angles C4'-P-C4' energy: -120.942
flat angles P-C4'-P energy: -91.547
tors. eta vs tors. theta energy: -126.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1571.406886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.406886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.406886 (E_RNA)
where:
Base-Base interactions energy: -1043.939
where: short stacking energy: -463.924
Base-Backbone interact. energy: -3.055
local terms energy: -524.413146
where:
bonds (distance) C4'-P energy: -108.721
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -117.812
flat angles P-C4'-P energy: -75.407
tors. eta vs tors. theta energy: -101.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1461.202065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.202065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.202065 (E_RNA)
where:
Base-Base interactions energy: -957.142
where: short stacking energy: -430.570
Base-Backbone interact. energy: -6.390
local terms energy: -497.669948
where:
bonds (distance) C4'-P energy: -104.855
bonds (distance) P-C4' energy: -113.232
flat angles C4'-P-C4' energy: -111.751
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -96.980
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: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1269.843979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.843979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.843979 (E_RNA)
where:
Base-Base interactions energy: -774.443
where: short stacking energy: -393.857
Base-Backbone interact. energy: -0.363
local terms energy: -495.037489
where:
bonds (distance) C4'-P energy: -105.068
bonds (distance) P-C4' energy: -118.504
flat angles C4'-P-C4' energy: -129.870
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -86.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1106.480146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.480146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.480146 (E_RNA)
where:
Base-Base interactions energy: -648.021
where: short stacking energy: -328.240
Base-Backbone interact. energy: -2.222
local terms energy: -456.236734
where:
bonds (distance) C4'-P energy: -107.888
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -100.423
flat angles P-C4'-P energy: -68.736
tors. eta vs tors. theta energy: -66.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -835.605836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.605836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.605836 (E_RNA)
where:
Base-Base interactions energy: -442.346
where: short stacking energy: -224.501
Base-Backbone interact. energy: 2.433
local terms energy: -395.692340
where:
bonds (distance) C4'-P energy: -117.914
bonds (distance) P-C4' energy: -101.528
flat angles C4'-P-C4' energy: -82.400
flat angles P-C4'-P energy: -73.576
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -703.759975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.759975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.759975 (E_RNA)
where:
Base-Base interactions energy: -329.006
where: short stacking energy: -183.120
Base-Backbone interact. energy: -2.061
local terms energy: -372.693130
where:
bonds (distance) C4'-P energy: -114.259
bonds (distance) P-C4' energy: -103.720
flat angles C4'-P-C4' energy: -89.173
flat angles P-C4'-P energy: -61.057
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -590.802163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.802163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.802163 (E_RNA)
where:
Base-Base interactions energy: -254.343
where: short stacking energy: -171.273
Base-Backbone interact. energy: -2.379
local terms energy: -334.080379
where:
bonds (distance) C4'-P energy: -109.705
bonds (distance) P-C4' energy: -104.968
flat angles C4'-P-C4' energy: -95.046
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: 10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1933.292251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.292251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.292251 (E_RNA)
where:
Base-Base interactions energy: -1251.941
where: short stacking energy: -562.387
Base-Backbone interact. energy: -6.106
local terms energy: -675.244645
where:
bonds (distance) C4'-P energy: -132.597
bonds (distance) P-C4' energy: -148.524
flat angles C4'-P-C4' energy: -141.282
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -172.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1782.064278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.064278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.064278 (E_RNA)
where:
Base-Base interactions energy: -1188.769
where: short stacking energy: -535.323
Base-Backbone interact. energy: 0.170
local terms energy: -593.465089
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -140.630
flat angles C4'-P-C4' energy: -133.689
flat angles P-C4'-P energy: -77.947
tors. eta vs tors. theta energy: -136.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1702.760467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.760467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.760467 (E_RNA)
where:
Base-Base interactions energy: -1123.844
where: short stacking energy: -500.591
Base-Backbone interact. energy: -4.519
local terms energy: -574.396664
where:
bonds (distance) C4'-P energy: -112.945
bonds (distance) P-C4' energy: -112.073
flat angles C4'-P-C4' energy: -138.488
flat angles P-C4'-P energy: -70.210
tors. eta vs tors. theta energy: -140.681
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: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1608.610249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.610249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.610249 (E_RNA)
where:
Base-Base interactions energy: -1042.760
where: short stacking energy: -469.140
Base-Backbone interact. energy: -3.131
local terms energy: -562.719630
where:
bonds (distance) C4'-P energy: -110.541
bonds (distance) P-C4' energy: -121.415
flat angles C4'-P-C4' energy: -121.775
flat angles P-C4'-P energy: -96.294
tors. eta vs tors. theta energy: -112.695
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: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1450.660795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.660795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.660795 (E_RNA)
where:
Base-Base interactions energy: -937.223
where: short stacking energy: -420.134
Base-Backbone interact. energy: 2.977
local terms energy: -516.414995
where:
bonds (distance) C4'-P energy: -119.889
bonds (distance) P-C4' energy: -105.468
flat angles C4'-P-C4' energy: -124.500
flat angles P-C4'-P energy: -65.301
tors. eta vs tors. theta energy: -101.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1289.546625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.546625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.546625 (E_RNA)
where:
Base-Base interactions energy: -793.177
where: short stacking energy: -413.379
Base-Backbone interact. energy: -1.216
local terms energy: -495.153872
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -105.026
flat angles C4'-P-C4' energy: -123.024
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -85.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1181.048528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.048528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.048528 (E_RNA)
where:
Base-Base interactions energy: -691.373
where: short stacking energy: -340.991
Base-Backbone interact. energy: -0.388
local terms energy: -489.287770
where:
bonds (distance) C4'-P energy: -120.289
bonds (distance) P-C4' energy: -115.713
flat angles C4'-P-C4' energy: -115.104
flat angles P-C4'-P energy: -73.411
tors. eta vs tors. theta energy: -64.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -853.175029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.175029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.175029 (E_RNA)
where:
Base-Base interactions energy: -466.945
where: short stacking energy: -229.489
Base-Backbone interact. energy: 3.110
local terms energy: -389.340614
where:
bonds (distance) C4'-P energy: -92.637
bonds (distance) P-C4' energy: -108.110
flat angles C4'-P-C4' energy: -100.454
flat angles P-C4'-P energy: -61.741
tors. eta vs tors. theta energy: -26.399
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: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -718.953102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.953102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.953102 (E_RNA)
where:
Base-Base interactions energy: -365.797
where: short stacking energy: -191.444
Base-Backbone interact. energy: 6.953
local terms energy: -360.108822
where:
bonds (distance) C4'-P energy: -104.968
bonds (distance) P-C4' energy: -117.319
flat angles C4'-P-C4' energy: -78.582
flat angles P-C4'-P energy: -58.261
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -590.887011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.887011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.887011 (E_RNA)
where:
Base-Base interactions energy: -262.350
where: short stacking energy: -166.388
Base-Backbone interact. energy: -0.996
local terms energy: -327.540855
where:
bonds (distance) C4'-P energy: -105.296
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -78.993
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1915.134615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.134615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.134615 (E_RNA)
where:
Base-Base interactions energy: -1265.914
where: short stacking energy: -548.083
Base-Backbone interact. energy: -3.669
local terms energy: -645.552114
where:
bonds (distance) C4'-P energy: -124.501
bonds (distance) P-C4' energy: -129.186
flat angles C4'-P-C4' energy: -140.203
flat angles P-C4'-P energy: -92.818
tors. eta vs tors. theta energy: -158.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1810.237719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.237719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.237719 (E_RNA)
where:
Base-Base interactions energy: -1233.548
where: short stacking energy: -502.997
Base-Backbone interact. energy: 4.565
local terms energy: -581.255330
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -129.297
flat angles C4'-P-C4' energy: -128.706
flat angles P-C4'-P energy: -94.346
tors. eta vs tors. theta energy: -124.077
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: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1676.872606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.872606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.872606 (E_RNA)
where:
Base-Base interactions energy: -1099.461
where: short stacking energy: -508.016
Base-Backbone interact. energy: -3.434
local terms energy: -573.977468
where:
bonds (distance) C4'-P energy: -110.998
bonds (distance) P-C4' energy: -104.936
flat angles C4'-P-C4' energy: -131.588
flat angles P-C4'-P energy: -95.276
tors. eta vs tors. theta energy: -131.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1609.402496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.402496 (E_RNA)
where:
Base-Base interactions energy: -1056.938
where: short stacking energy: -440.177
Base-Backbone interact. energy: -2.033
local terms energy: -550.431557
where:
bonds (distance) C4'-P energy: -117.205
bonds (distance) P-C4' energy: -112.316
flat angles C4'-P-C4' energy: -130.744
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -118.121
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: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1513.447195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.447195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.447195 (E_RNA)
where:
Base-Base interactions energy: -987.434
where: short stacking energy: -436.015
Base-Backbone interact. energy: -3.720
local terms energy: -522.293342
where:
bonds (distance) C4'-P energy: -108.997
bonds (distance) P-C4' energy: -114.433
flat angles C4'-P-C4' energy: -115.080
flat angles P-C4'-P energy: -68.569
tors. eta vs tors. theta energy: -115.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1282.971070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.971070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.971070 (E_RNA)
where:
Base-Base interactions energy: -799.194
where: short stacking energy: -347.192
Base-Backbone interact. energy: -3.095
local terms energy: -480.682087
where:
bonds (distance) C4'-P energy: -104.627
bonds (distance) P-C4' energy: -116.760
flat angles C4'-P-C4' energy: -114.381
flat angles P-C4'-P energy: -76.839
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: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1221.089628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.089628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.089628 (E_RNA)
where:
Base-Base interactions energy: -754.120
where: short stacking energy: -376.701
Base-Backbone interact. energy: 0.924
local terms energy: -467.893189
where:
bonds (distance) C4'-P energy: -97.803
bonds (distance) P-C4' energy: -109.266
flat angles C4'-P-C4' energy: -111.459
flat angles P-C4'-P energy: -61.472
tors. eta vs tors. theta energy: -87.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -900.131998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.131998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.131998 (E_RNA)
where:
Base-Base interactions energy: -461.562
where: short stacking energy: -237.844
Base-Backbone interact. energy: -1.867
local terms energy: -436.702413
where:
bonds (distance) C4'-P energy: -98.037
bonds (distance) P-C4' energy: -131.244
flat angles C4'-P-C4' energy: -106.089
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -29.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -732.930698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.930698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.930698 (E_RNA)
where:
Base-Base interactions energy: -348.867
where: short stacking energy: -203.972
Base-Backbone interact. energy: -2.354
local terms energy: -381.709922
where:
bonds (distance) C4'-P energy: -100.003
bonds (distance) P-C4' energy: -107.418
flat angles C4'-P-C4' energy: -113.006
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -14.322
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -599.651578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.651578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.651578 (E_RNA)
where:
Base-Base interactions energy: -279.253
where: short stacking energy: -179.045
Base-Backbone interact. energy: 0.064
local terms energy: -320.462667
where:
bonds (distance) C4'-P energy: -96.700
bonds (distance) P-C4' energy: -90.159
flat angles C4'-P-C4' energy: -102.370
flat angles P-C4'-P energy: -43.308
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1960.967311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.967311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.967311 (E_RNA)
where:
Base-Base interactions energy: -1305.256
where: short stacking energy: -591.499
Base-Backbone interact. energy: -0.867
local terms energy: -654.843788
where:
bonds (distance) C4'-P energy: -122.707
bonds (distance) P-C4' energy: -133.276
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -96.938
tors. eta vs tors. theta energy: -153.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1822.799711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.799711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.799711 (E_RNA)
where:
Base-Base interactions energy: -1203.986
where: short stacking energy: -526.111
Base-Backbone interact. energy: -1.950
local terms energy: -616.863003
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -127.818
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -99.717
tors. eta vs tors. theta energy: -142.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1722.457841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.457841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.457841 (E_RNA)
where:
Base-Base interactions energy: -1138.251
where: short stacking energy: -495.047
Base-Backbone interact. energy: -1.677
local terms energy: -582.529932
where:
bonds (distance) C4'-P energy: -112.862
bonds (distance) P-C4' energy: -123.087
flat angles C4'-P-C4' energy: -143.996
flat angles P-C4'-P energy: -78.210
tors. eta vs tors. theta energy: -124.375
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: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1631.764111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.764111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.764111 (E_RNA)
where:
Base-Base interactions energy: -1052.965
where: short stacking energy: -500.654
Base-Backbone interact. energy: 0.001
local terms energy: -578.799580
where:
bonds (distance) C4'-P energy: -100.384
bonds (distance) P-C4' energy: -127.162
flat angles C4'-P-C4' energy: -133.284
flat angles P-C4'-P energy: -90.464
tors. eta vs tors. theta energy: -127.506
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1563.513513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.513513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.513513 (E_RNA)
where:
Base-Base interactions energy: -1032.990
where: short stacking energy: -455.806
Base-Backbone interact. energy: -6.472
local terms energy: -524.051663
where:
bonds (distance) C4'-P energy: -116.835
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -112.417
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -107.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1242.427068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.427068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.427068 (E_RNA)
where:
Base-Base interactions energy: -747.242
where: short stacking energy: -329.455
Base-Backbone interact. energy: 0.350
local terms energy: -495.535031
where:
bonds (distance) C4'-P energy: -112.555
bonds (distance) P-C4' energy: -124.904
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -66.842
tors. eta vs tors. theta energy: -70.578
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: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1236.358207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.358207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.358207 (E_RNA)
where:
Base-Base interactions energy: -762.973
where: short stacking energy: -381.763
Base-Backbone interact. energy: -3.087
local terms energy: -470.297749
where:
bonds (distance) C4'-P energy: -111.710
bonds (distance) P-C4' energy: -106.652
flat angles C4'-P-C4' energy: -106.439
flat angles P-C4'-P energy: -68.823
tors. eta vs tors. theta energy: -76.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -922.643098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.643098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.643098 (E_RNA)
where:
Base-Base interactions energy: -541.207
where: short stacking energy: -274.789
Base-Backbone interact. energy: -1.729
local terms energy: -379.706310
where:
bonds (distance) C4'-P energy: -111.163
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -99.469
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -711.182545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.182545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.182545 (E_RNA)
where:
Base-Base interactions energy: -329.866
where: short stacking energy: -200.842
Base-Backbone interact. energy: -0.904
local terms energy: -380.412553
where:
bonds (distance) C4'-P energy: -97.410
bonds (distance) P-C4' energy: -118.259
flat angles C4'-P-C4' energy: -93.232
flat angles P-C4'-P energy: -69.582
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -519.538949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.538949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.538949 (E_RNA)
where:
Base-Base interactions energy: -210.388
where: short stacking energy: -133.044
Base-Backbone interact. energy: 2.188
local terms energy: -311.338956
where:
bonds (distance) C4'-P energy: -102.438
bonds (distance) P-C4' energy: -109.787
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: 15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1932.580572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.580572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.580572 (E_RNA)
where:
Base-Base interactions energy: -1261.809
where: short stacking energy: -579.489
Base-Backbone interact. energy: -4.534
local terms energy: -666.237413
where:
bonds (distance) C4'-P energy: -137.367
bonds (distance) P-C4' energy: -129.744
flat angles C4'-P-C4' energy: -148.206
flat angles P-C4'-P energy: -88.723
tors. eta vs tors. theta energy: -162.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1836.209952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.209952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.209952 (E_RNA)
where:
Base-Base interactions energy: -1214.996
where: short stacking energy: -532.915
Base-Backbone interact. energy: -3.074
local terms energy: -618.139811
where:
bonds (distance) C4'-P energy: -131.925
bonds (distance) P-C4' energy: -126.168
flat angles C4'-P-C4' energy: -136.814
flat angles P-C4'-P energy: -94.598
tors. eta vs tors. theta energy: -128.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1778.612066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.612066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.612066 (E_RNA)
where:
Base-Base interactions energy: -1212.060
where: short stacking energy: -519.035
Base-Backbone interact. energy: -0.391
local terms energy: -566.160795
where:
bonds (distance) C4'-P energy: -110.058
bonds (distance) P-C4' energy: -105.450
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -89.314
tors. eta vs tors. theta energy: -128.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1653.249728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.249728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.249728 (E_RNA)
where:
Base-Base interactions energy: -1109.469
where: short stacking energy: -494.102
Base-Backbone interact. energy: -5.233
local terms energy: -538.548496
where:
bonds (distance) C4'-P energy: -107.161
bonds (distance) P-C4' energy: -97.135
flat angles C4'-P-C4' energy: -139.401
flat angles P-C4'-P energy: -76.403
tors. eta vs tors. theta energy: -118.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1543.149305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.149305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.149305 (E_RNA)
where:
Base-Base interactions energy: -1042.994
where: short stacking energy: -469.635
Base-Backbone interact. energy: 3.184
local terms energy: -503.339251
where:
bonds (distance) C4'-P energy: -114.772
bonds (distance) P-C4' energy: -103.141
flat angles C4'-P-C4' energy: -115.242
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -101.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1225.271032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.271032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.271032 (E_RNA)
where:
Base-Base interactions energy: -721.971
where: short stacking energy: -356.237
Base-Backbone interact. energy: -3.513
local terms energy: -499.786867
where:
bonds (distance) C4'-P energy: -107.082
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -120.319
flat angles P-C4'-P energy: -73.071
tors. eta vs tors. theta energy: -87.429
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1155.671352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.671352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.671352 (E_RNA)
where:
Base-Base interactions energy: -718.475
where: short stacking energy: -375.302
Base-Backbone interact. energy: -2.464
local terms energy: -434.732885
where:
bonds (distance) C4'-P energy: -85.649
bonds (distance) P-C4' energy: -97.972
flat angles C4'-P-C4' energy: -105.940
flat angles P-C4'-P energy: -75.919
tors. eta vs tors. theta energy: -69.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -978.056521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.056521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.056521 (E_RNA)
where:
Base-Base interactions energy: -535.450
where: short stacking energy: -272.079
Base-Backbone interact. energy: -4.778
local terms energy: -437.828045
where:
bonds (distance) C4'-P energy: -110.766
bonds (distance) P-C4' energy: -121.533
flat angles C4'-P-C4' energy: -118.026
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -34.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -685.597342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.597342 (E_RNA)
where:
Base-Base interactions energy: -352.708
where: short stacking energy: -210.613
Base-Backbone interact. energy: -0.778
local terms energy: -332.110739
where:
bonds (distance) C4'-P energy: -98.291
bonds (distance) P-C4' energy: -100.010
flat angles C4'-P-C4' energy: -78.866
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -560.852109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.852109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.852109 (E_RNA)
where:
Base-Base interactions energy: -242.181
where: short stacking energy: -184.686
Base-Backbone interact. energy: 0.103
local terms energy: -318.773893
where:
bonds (distance) C4'-P energy: -102.109
bonds (distance) P-C4' energy: -100.007
flat angles C4'-P-C4' energy: -71.824
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: 6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1922.479824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.479824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.479824 (E_RNA)
where:
Base-Base interactions energy: -1297.415
where: short stacking energy: -592.786
Base-Backbone interact. energy: -3.459
local terms energy: -621.606217
where:
bonds (distance) C4'-P energy: -121.666
bonds (distance) P-C4' energy: -125.662
flat angles C4'-P-C4' energy: -136.715
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -162.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1795.686200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.686200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.686200 (E_RNA)
where:
Base-Base interactions energy: -1198.543
where: short stacking energy: -520.533
Base-Backbone interact. energy: 1.947
local terms energy: -599.091115
where:
bonds (distance) C4'-P energy: -122.695
bonds (distance) P-C4' energy: -118.983
flat angles C4'-P-C4' energy: -135.153
flat angles P-C4'-P energy: -82.547
tors. eta vs tors. theta energy: -139.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1755.723509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.723509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.723509 (E_RNA)
where:
Base-Base interactions energy: -1144.680
where: short stacking energy: -498.626
Base-Backbone interact. energy: -3.271
local terms energy: -607.772524
where:
bonds (distance) C4'-P energy: -126.271
bonds (distance) P-C4' energy: -129.410
flat angles C4'-P-C4' energy: -139.192
flat angles P-C4'-P energy: -83.155
tors. eta vs tors. theta energy: -129.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1653.109355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.109355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.109355 (E_RNA)
where:
Base-Base interactions energy: -1100.196
where: short stacking energy: -473.257
Base-Backbone interact. energy: -5.429
local terms energy: -547.484067
where:
bonds (distance) C4'-P energy: -122.289
bonds (distance) P-C4' energy: -107.382
flat angles C4'-P-C4' energy: -116.574
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -130.564
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: 46
Temperature: 1.100000
Total energy: -1501.669597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.669597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.669597 (E_RNA)
where:
Base-Base interactions energy: -967.990
where: short stacking energy: -436.105
Base-Backbone interact. energy: -4.220
local terms energy: -529.459919
where:
bonds (distance) C4'-P energy: -125.329
bonds (distance) P-C4' energy: -122.340
flat angles C4'-P-C4' energy: -121.182
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -82.969
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: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1227.377591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.377591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.377591 (E_RNA)
where:
Base-Base interactions energy: -766.071
where: short stacking energy: -381.789
Base-Backbone interact. energy: -1.855
local terms energy: -459.451428
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -115.954
flat angles P-C4'-P energy: -65.500
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: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1155.571179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.571179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.571179 (E_RNA)
where:
Base-Base interactions energy: -730.920
where: short stacking energy: -371.717
Base-Backbone interact. energy: -0.438
local terms energy: -424.213065
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -98.180
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -75.846
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: 46
Temperature: 1.250000
Total energy: -1022.455280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.455280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.455280 (E_RNA)
where:
Base-Base interactions energy: -602.534
where: short stacking energy: -298.989
Base-Backbone interact. energy: 0.574
local terms energy: -420.496070
where:
bonds (distance) C4'-P energy: -104.541
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -97.373
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -53.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -621.321714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.321714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.321714 (E_RNA)
where:
Base-Base interactions energy: -275.537
where: short stacking energy: -168.085
Base-Backbone interact. energy: -3.302
local terms energy: -342.482176
where:
bonds (distance) C4'-P energy: -90.930
bonds (distance) P-C4' energy: -109.438
flat angles C4'-P-C4' energy: -89.344
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -632.531704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.531704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.531704 (E_RNA)
where:
Base-Base interactions energy: -298.210
where: short stacking energy: -182.407
Base-Backbone interact. energy: -0.382
local terms energy: -333.939771
where:
bonds (distance) C4'-P energy: -106.848
bonds (distance) P-C4' energy: -113.944
flat angles C4'-P-C4' energy: -86.630
flat angles P-C4'-P energy: -45.554
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1860.648050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.648050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.648050 (E_RNA)
where:
Base-Base interactions energy: -1223.877
where: short stacking energy: -547.132
Base-Backbone interact. energy: -1.999
local terms energy: -634.772323
where:
bonds (distance) C4'-P energy: -107.953
bonds (distance) P-C4' energy: -142.818
flat angles C4'-P-C4' energy: -135.353
flat angles P-C4'-P energy: -96.631
tors. eta vs tors. theta energy: -152.018
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: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1840.187757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.187757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.187757 (E_RNA)
where:
Base-Base interactions energy: -1233.431
where: short stacking energy: -523.736
Base-Backbone interact. energy: -2.670
local terms energy: -604.086682
where:
bonds (distance) C4'-P energy: -115.713
bonds (distance) P-C4' energy: -123.667
flat angles C4'-P-C4' energy: -135.321
flat angles P-C4'-P energy: -92.993
tors. eta vs tors. theta energy: -136.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1772.652845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.652845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.652845 (E_RNA)
where:
Base-Base interactions energy: -1179.371
where: short stacking energy: -491.969
Base-Backbone interact. energy: -5.195
local terms energy: -588.086365
where:
bonds (distance) C4'-P energy: -117.843
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -136.159
flat angles P-C4'-P energy: -84.471
tors. eta vs tors. theta energy: -130.966
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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1691.849576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.849576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.849576 (E_RNA)
where:
Base-Base interactions energy: -1142.731
where: short stacking energy: -477.678
Base-Backbone interact. energy: 3.124
local terms energy: -552.242747
where:
bonds (distance) C4'-P energy: -102.863
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -125.004
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -127.382
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1531.390676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.390676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.390676 (E_RNA)
where:
Base-Base interactions energy: -1031.719
where: short stacking energy: -450.158
Base-Backbone interact. energy: 3.984
local terms energy: -503.655179
where:
bonds (distance) C4'-P energy: -93.738
bonds (distance) P-C4' energy: -110.329
flat angles C4'-P-C4' energy: -118.591
flat angles P-C4'-P energy: -90.632
tors. eta vs tors. theta energy: -90.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1199.204651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.204651 (E_RNA)
where:
Base-Base interactions energy: -723.780
where: short stacking energy: -369.467
Base-Backbone interact. energy: 3.436
local terms energy: -478.860249
where:
bonds (distance) C4'-P energy: -114.235
bonds (distance) P-C4' energy: -115.589
flat angles C4'-P-C4' energy: -105.042
flat angles P-C4'-P energy: -72.695
tors. eta vs tors. theta energy: -71.299
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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1174.775173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.775173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.775173 (E_RNA)
where:
Base-Base interactions energy: -698.492
where: short stacking energy: -352.755
Base-Backbone interact. energy: -1.492
local terms energy: -474.791207
where:
bonds (distance) C4'-P energy: -102.384
bonds (distance) P-C4' energy: -111.641
flat angles C4'-P-C4' energy: -113.076
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -70.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1065.257648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.257648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.257648 (E_RNA)
where:
Base-Base interactions energy: -626.837
where: short stacking energy: -326.478
Base-Backbone interact. energy: -3.549
local terms energy: -434.871551
where:
bonds (distance) C4'-P energy: -103.430
bonds (distance) P-C4' energy: -113.949
flat angles C4'-P-C4' energy: -102.832
flat angles P-C4'-P energy: -60.544
tors. eta vs tors. theta energy: -54.117
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -653.605301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.605301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.605301 (E_RNA)
where:
Base-Base interactions energy: -308.460
where: short stacking energy: -169.524
Base-Backbone interact. energy: 0.961
local terms energy: -346.106218
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -110.618
flat angles C4'-P-C4' energy: -75.726
flat angles P-C4'-P energy: -69.220
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -585.824591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.824591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.824591 (E_RNA)
where:
Base-Base interactions energy: -262.113
where: short stacking energy: -193.543
Base-Backbone interact. energy: -2.109
local terms energy: -321.601939
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -52.798
tors. eta vs tors. theta energy: 13.111
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1887.574849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.574849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.574849 (E_RNA)
where:
Base-Base interactions energy: -1267.443
where: short stacking energy: -584.826
Base-Backbone interact. energy: 3.025
local terms energy: -623.157494
where:
bonds (distance) C4'-P energy: -119.079
bonds (distance) P-C4' energy: -122.622
flat angles C4'-P-C4' energy: -132.993
flat angles P-C4'-P energy: -102.828
tors. eta vs tors. theta energy: -145.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1813.436849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.436849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.436849 (E_RNA)
where:
Base-Base interactions energy: -1218.293
where: short stacking energy: -519.687
Base-Backbone interact. energy: -2.002
local terms energy: -593.142750
where:
bonds (distance) C4'-P energy: -115.482
bonds (distance) P-C4' energy: -124.086
flat angles C4'-P-C4' energy: -136.206
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -132.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1738.683255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.683255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.683255 (E_RNA)
where:
Base-Base interactions energy: -1151.413
where: short stacking energy: -476.838
Base-Backbone interact. energy: -5.055
local terms energy: -582.214961
where:
bonds (distance) C4'-P energy: -119.843
bonds (distance) P-C4' energy: -136.910
flat angles C4'-P-C4' energy: -124.451
flat angles P-C4'-P energy: -77.536
tors. eta vs tors. theta energy: -123.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1710.651851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.651851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.651851 (E_RNA)
where:
Base-Base interactions energy: -1166.100
where: short stacking energy: -477.196
Base-Backbone interact. energy: -0.863
local terms energy: -543.688426
where:
bonds (distance) C4'-P energy: -112.077
bonds (distance) P-C4' energy: -114.145
flat angles C4'-P-C4' energy: -136.191
flat angles P-C4'-P energy: -65.837
tors. eta vs tors. theta energy: -115.439
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: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1521.311846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.311846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.311846 (E_RNA)
where:
Base-Base interactions energy: -978.282
where: short stacking energy: -428.796
Base-Backbone interact. energy: -0.781
local terms energy: -542.249416
where:
bonds (distance) C4'-P energy: -121.701
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -124.424
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -99.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1235.736789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.736789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.736789 (E_RNA)
where:
Base-Base interactions energy: -721.683
where: short stacking energy: -343.136
Base-Backbone interact. energy: 10.054
local terms energy: -524.107759
where:
bonds (distance) C4'-P energy: -113.692
bonds (distance) P-C4' energy: -133.980
flat angles C4'-P-C4' energy: -115.517
flat angles P-C4'-P energy: -86.073
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: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1198.615653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.615653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.615653 (E_RNA)
where:
Base-Base interactions energy: -745.586
where: short stacking energy: -362.352
Base-Backbone interact. energy: -4.533
local terms energy: -448.496215
where:
bonds (distance) C4'-P energy: -89.398
bonds (distance) P-C4' energy: -110.968
flat angles C4'-P-C4' energy: -114.335
flat angles P-C4'-P energy: -70.072
tors. eta vs tors. theta energy: -63.723
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1061.362268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.362268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.362268 (E_RNA)
where:
Base-Base interactions energy: -612.651
where: short stacking energy: -293.022
Base-Backbone interact. energy: -2.940
local terms energy: -445.771158
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -115.984
flat angles C4'-P-C4' energy: -112.329
flat angles P-C4'-P energy: -78.061
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -649.585467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.585467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.585467 (E_RNA)
where:
Base-Base interactions energy: -334.864
where: short stacking energy: -222.648
Base-Backbone interact. energy: 0.267
local terms energy: -314.988265
where:
bonds (distance) C4'-P energy: -98.475
bonds (distance) P-C4' energy: -101.730
flat angles C4'-P-C4' energy: -71.866
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: 3.753
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: 48
Temperature: 1.350000
Total energy: -522.818128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.818128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.818128 (E_RNA)
where:
Base-Base interactions energy: -232.223
where: short stacking energy: -167.274
Base-Backbone interact. energy: 2.382
local terms energy: -292.977313
where:
bonds (distance) C4'-P energy: -108.433
bonds (distance) P-C4' energy: -77.308
flat angles C4'-P-C4' energy: -79.780
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: 15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1932.391935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.391935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.391935 (E_RNA)
where:
Base-Base interactions energy: -1290.417
where: short stacking energy: -567.256
Base-Backbone interact. energy: -2.878
local terms energy: -639.096501
where:
bonds (distance) C4'-P energy: -128.247
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -136.878
flat angles P-C4'-P energy: -91.586
tors. eta vs tors. theta energy: -156.883
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1894.870084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.870084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.870084 (E_RNA)
where:
Base-Base interactions energy: -1291.516
where: short stacking energy: -547.302
Base-Backbone interact. energy: -1.823
local terms energy: -601.531996
where:
bonds (distance) C4'-P energy: -115.299
bonds (distance) P-C4' energy: -117.484
flat angles C4'-P-C4' energy: -143.094
flat angles P-C4'-P energy: -84.437
tors. eta vs tors. theta energy: -141.219
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: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1731.062717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.062717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.062717 (E_RNA)
where:
Base-Base interactions energy: -1130.390
where: short stacking energy: -509.669
Base-Backbone interact. energy: -3.448
local terms energy: -597.223895
where:
bonds (distance) C4'-P energy: -123.278
bonds (distance) P-C4' energy: -121.633
flat angles C4'-P-C4' energy: -135.042
flat angles P-C4'-P energy: -74.797
tors. eta vs tors. theta energy: -142.474
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: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1686.546724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.546724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.546724 (E_RNA)
where:
Base-Base interactions energy: -1116.017
where: short stacking energy: -486.992
Base-Backbone interact. energy: -0.209
local terms energy: -570.320710
where:
bonds (distance) C4'-P energy: -128.494
bonds (distance) P-C4' energy: -125.005
flat angles C4'-P-C4' energy: -118.370
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -126.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1538.633185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.633185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.633185 (E_RNA)
where:
Base-Base interactions energy: -997.365
where: short stacking energy: -469.973
Base-Backbone interact. energy: 3.269
local terms energy: -544.537930
where:
bonds (distance) C4'-P energy: -109.897
bonds (distance) P-C4' energy: -108.605
flat angles C4'-P-C4' energy: -124.919
flat angles P-C4'-P energy: -74.177
tors. eta vs tors. theta energy: -126.941
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: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1253.392945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.392945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.392945 (E_RNA)
where:
Base-Base interactions energy: -766.805
where: short stacking energy: -363.393
Base-Backbone interact. energy: -2.552
local terms energy: -484.035795
where:
bonds (distance) C4'-P energy: -99.818
bonds (distance) P-C4' energy: -115.810
flat angles C4'-P-C4' energy: -118.980
flat angles P-C4'-P energy: -75.243
tors. eta vs tors. theta energy: -74.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1181.979143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.979143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.979143 (E_RNA)
where:
Base-Base interactions energy: -720.183
where: short stacking energy: -373.341
Base-Backbone interact. energy: 2.023
local terms energy: -463.818917
where:
bonds (distance) C4'-P energy: -105.909
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -104.523
flat angles P-C4'-P energy: -68.743
tors. eta vs tors. theta energy: -80.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1032.481856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.481856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.481856 (E_RNA)
where:
Base-Base interactions energy: -611.015
where: short stacking energy: -309.176
Base-Backbone interact. energy: -0.823
local terms energy: -420.644495
where:
bonds (distance) C4'-P energy: -107.813
bonds (distance) P-C4' energy: -110.240
flat angles C4'-P-C4' energy: -100.606
flat angles P-C4'-P energy: -48.121
tors. eta vs tors. theta energy: -53.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -685.901855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.901855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.901855 (E_RNA)
where:
Base-Base interactions energy: -331.571
where: short stacking energy: -217.393
Base-Backbone interact. energy: -1.879
local terms energy: -352.451723
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -114.840
flat angles C4'-P-C4' energy: -86.231
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -586.031812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.031812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.031812 (E_RNA)
where:
Base-Base interactions energy: -233.916
where: short stacking energy: -169.359
Base-Backbone interact. energy: -0.142
local terms energy: -351.973935
where:
bonds (distance) C4'-P energy: -107.383
bonds (distance) P-C4' energy: -117.699
flat angles C4'-P-C4' energy: -93.818
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: 9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1959.303196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.303196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.303196 (E_RNA)
where:
Base-Base interactions energy: -1328.581
where: short stacking energy: -556.543
Base-Backbone interact. energy: -4.818
local terms energy: -625.904167
where:
bonds (distance) C4'-P energy: -123.061
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -144.615
flat angles P-C4'-P energy: -95.203
tors. eta vs tors. theta energy: -147.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1847.148760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.148760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.148760 (E_RNA)
where:
Base-Base interactions energy: -1222.228
where: short stacking energy: -539.107
Base-Backbone interact. energy: -5.131
local terms energy: -619.789323
where:
bonds (distance) C4'-P energy: -123.390
bonds (distance) P-C4' energy: -133.226
flat angles C4'-P-C4' energy: -126.252
flat angles P-C4'-P energy: -83.178
tors. eta vs tors. theta energy: -153.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1746.050543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.050543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.050543 (E_RNA)
where:
Base-Base interactions energy: -1162.239
where: short stacking energy: -502.614
Base-Backbone interact. energy: 5.169
local terms energy: -588.979819
where:
bonds (distance) C4'-P energy: -113.499
bonds (distance) P-C4' energy: -129.986
flat angles C4'-P-C4' energy: -127.217
flat angles P-C4'-P energy: -86.166
tors. eta vs tors. theta energy: -132.112
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: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1639.557151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.557151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.557151 (E_RNA)
where:
Base-Base interactions energy: -1094.970
where: short stacking energy: -504.374
Base-Backbone interact. energy: -1.923
local terms energy: -542.663506
where:
bonds (distance) C4'-P energy: -106.060
bonds (distance) P-C4' energy: -125.322
flat angles C4'-P-C4' energy: -120.270
flat angles P-C4'-P energy: -60.755
tors. eta vs tors. theta energy: -130.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1507.367069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.367069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.367069 (E_RNA)
where:
Base-Base interactions energy: -977.900
where: short stacking energy: -424.676
Base-Backbone interact. energy: -3.207
local terms energy: -526.260504
where:
bonds (distance) C4'-P energy: -114.222
bonds (distance) P-C4' energy: -116.679
flat angles C4'-P-C4' energy: -114.337
flat angles P-C4'-P energy: -84.763
tors. eta vs tors. theta energy: -96.260
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: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1240.407337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.407337 (E_RNA)
where:
Base-Base interactions energy: -767.863
where: short stacking energy: -371.629
Base-Backbone interact. energy: 0.341
local terms energy: -472.885830
where:
bonds (distance) C4'-P energy: -94.160
bonds (distance) P-C4' energy: -104.716
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -81.294
tors. eta vs tors. theta energy: -81.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1114.275627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.275627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.275627 (E_RNA)
where:
Base-Base interactions energy: -659.967
where: short stacking energy: -323.200
Base-Backbone interact. energy: -4.659
local terms energy: -449.650315
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -113.595
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -62.649
tors. eta vs tors. theta energy: -56.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1025.485554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.485554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.485554 (E_RNA)
where:
Base-Base interactions energy: -620.053
where: short stacking energy: -304.846
Base-Backbone interact. energy: -0.246
local terms energy: -405.186704
where:
bonds (distance) C4'-P energy: -89.624
bonds (distance) P-C4' energy: -93.477
flat angles C4'-P-C4' energy: -106.620
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -48.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -652.059908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.059908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.059908 (E_RNA)
where:
Base-Base interactions energy: -323.714
where: short stacking energy: -189.457
Base-Backbone interact. energy: 2.187
local terms energy: -330.532727
where:
bonds (distance) C4'-P energy: -88.140
bonds (distance) P-C4' energy: -109.160
flat angles C4'-P-C4' energy: -81.218
flat angles P-C4'-P energy: -60.906
tors. eta vs tors. theta energy: 8.892
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: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -612.517106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.517106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.517106 (E_RNA)
where:
Base-Base interactions energy: -249.821
where: short stacking energy: -150.635
Base-Backbone interact. energy: 3.691
local terms energy: -366.387308
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -117.062
flat angles C4'-P-C4' energy: -85.398
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -0.123
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1968.109337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.109337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.109337 (E_RNA)
where:
Base-Base interactions energy: -1316.231
where: short stacking energy: -559.355
Base-Backbone interact. energy: 1.879
local terms energy: -653.757390
where:
bonds (distance) C4'-P energy: -128.914
bonds (distance) P-C4' energy: -131.077
flat angles C4'-P-C4' energy: -150.799
flat angles P-C4'-P energy: -92.773
tors. eta vs tors. theta energy: -150.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1863.961538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.961538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.961538 (E_RNA)
where:
Base-Base interactions energy: -1248.445
where: short stacking energy: -561.775
Base-Backbone interact. energy: -1.762
local terms energy: -613.754295
where:
bonds (distance) C4'-P energy: -123.858
bonds (distance) P-C4' energy: -130.328
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -85.406
tors. eta vs tors. theta energy: -139.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1748.748951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.748951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.748951 (E_RNA)
where:
Base-Base interactions energy: -1165.187
where: short stacking energy: -495.789
Base-Backbone interact. energy: -4.240
local terms energy: -579.322675
where:
bonds (distance) C4'-P energy: -126.188
bonds (distance) P-C4' energy: -119.739
flat angles C4'-P-C4' energy: -123.455
flat angles P-C4'-P energy: -74.265
tors. eta vs tors. theta energy: -135.677
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: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1684.036923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.036923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.036923 (E_RNA)
where:
Base-Base interactions energy: -1150.730
where: short stacking energy: -468.847
Base-Backbone interact. energy: -0.094
local terms energy: -533.213410
where:
bonds (distance) C4'-P energy: -107.866
bonds (distance) P-C4' energy: -116.485
flat angles C4'-P-C4' energy: -131.292
flat angles P-C4'-P energy: -53.560
tors. eta vs tors. theta energy: -124.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1544.133116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.133116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.133116 (E_RNA)
where:
Base-Base interactions energy: -1033.414
where: short stacking energy: -475.969
Base-Backbone interact. energy: -1.859
local terms energy: -508.860418
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -114.938
flat angles C4'-P-C4' energy: -111.621
flat angles P-C4'-P energy: -63.116
tors. eta vs tors. theta energy: -113.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1270.974946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.974946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.974946 (E_RNA)
where:
Base-Base interactions energy: -802.164
where: short stacking energy: -405.411
Base-Backbone interact. energy: 0.807
local terms energy: -469.617184
where:
bonds (distance) C4'-P energy: -99.573
bonds (distance) P-C4' energy: -113.112
flat angles C4'-P-C4' energy: -119.973
flat angles P-C4'-P energy: -66.259
tors. eta vs tors. theta energy: -70.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1066.791828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.791828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.791828 (E_RNA)
where:
Base-Base interactions energy: -598.350
where: short stacking energy: -328.067
Base-Backbone interact. energy: 0.137
local terms energy: -468.578675
where:
bonds (distance) C4'-P energy: -114.232
bonds (distance) P-C4' energy: -90.560
flat angles C4'-P-C4' energy: -116.062
flat angles P-C4'-P energy: -76.784
tors. eta vs tors. theta energy: -70.940
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: 51
Temperature: 1.250000
Total energy: -1049.084038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.084038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.084038 (E_RNA)
where:
Base-Base interactions energy: -602.775
where: short stacking energy: -309.237
Base-Backbone interact. energy: 0.155
local terms energy: -446.463285
where:
bonds (distance) C4'-P energy: -103.633
bonds (distance) P-C4' energy: -126.696
flat angles C4'-P-C4' energy: -105.282
flat angles P-C4'-P energy: -61.200
tors. eta vs tors. theta energy: -49.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -692.290335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.290335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.290335 (E_RNA)
where:
Base-Base interactions energy: -366.350
where: short stacking energy: -215.874
Base-Backbone interact. energy: 5.485
local terms energy: -331.426070
where:
bonds (distance) C4'-P energy: -128.918
bonds (distance) P-C4' energy: -88.269
flat angles C4'-P-C4' energy: -86.638
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: 6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -576.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.254688 (E_RNA)
where:
Base-Base interactions energy: -260.001
where: short stacking energy: -163.764
Base-Backbone interact. energy: -1.602
local terms energy: -314.651890
where:
bonds (distance) C4'-P energy: -107.801
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -73.975
flat angles P-C4'-P energy: -56.116
tors. eta vs tors. theta energy: 30.110
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: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1937.918816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.918816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.918816 (E_RNA)
where:
Base-Base interactions energy: -1321.401
where: short stacking energy: -556.690
Base-Backbone interact. energy: -2.272
local terms energy: -614.245797
where:
bonds (distance) C4'-P energy: -124.702
bonds (distance) P-C4' energy: -123.684
flat angles C4'-P-C4' energy: -129.545
flat angles P-C4'-P energy: -92.228
tors. eta vs tors. theta energy: -144.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1871.752859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.752859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.752859 (E_RNA)
where:
Base-Base interactions energy: -1225.692
where: short stacking energy: -577.957
Base-Backbone interact. energy: -8.542
local terms energy: -637.518893
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -121.655
flat angles C4'-P-C4' energy: -148.989
flat angles P-C4'-P energy: -104.334
tors. eta vs tors. theta energy: -147.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1798.085193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.085193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.085193 (E_RNA)
where:
Base-Base interactions energy: -1214.387
where: short stacking energy: -530.887
Base-Backbone interact. energy: -2.142
local terms energy: -581.556341
where:
bonds (distance) C4'-P energy: -113.219
bonds (distance) P-C4' energy: -118.051
flat angles C4'-P-C4' energy: -127.013
flat angles P-C4'-P energy: -82.947
tors. eta vs tors. theta energy: -140.325
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1652.357674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.357674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.357674 (E_RNA)
where:
Base-Base interactions energy: -1113.451
where: short stacking energy: -477.634
Base-Backbone interact. energy: 0.246
local terms energy: -539.152894
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -101.642
flat angles C4'-P-C4' energy: -127.274
flat angles P-C4'-P energy: -70.564
tors. eta vs tors. theta energy: -129.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1595.283114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.283114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.283114 (E_RNA)
where:
Base-Base interactions energy: -1033.431
where: short stacking energy: -470.135
Base-Backbone interact. energy: -3.371
local terms energy: -558.481333
where:
bonds (distance) C4'-P energy: -111.669
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -123.668
flat angles P-C4'-P energy: -86.784
tors. eta vs tors. theta energy: -114.243
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: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1264.194856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.194856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.194856 (E_RNA)
where:
Base-Base interactions energy: -741.848
where: short stacking energy: -363.524
Base-Backbone interact. energy: -4.105
local terms energy: -518.241912
where:
bonds (distance) C4'-P energy: -115.258
bonds (distance) P-C4' energy: -124.463
flat angles C4'-P-C4' energy: -118.127
flat angles P-C4'-P energy: -74.461
tors. eta vs tors. theta energy: -85.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1086.072304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.072304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.072304 (E_RNA)
where:
Base-Base interactions energy: -676.603
where: short stacking energy: -334.909
Base-Backbone interact. energy: -1.493
local terms energy: -407.976413
where:
bonds (distance) C4'-P energy: -96.892
bonds (distance) P-C4' energy: -110.560
flat angles C4'-P-C4' energy: -96.403
flat angles P-C4'-P energy: -51.259
tors. eta vs tors. theta energy: -52.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1009.469633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.469633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.469633 (E_RNA)
where:
Base-Base interactions energy: -592.861
where: short stacking energy: -302.508
Base-Backbone interact. energy: 1.158
local terms energy: -417.766702
where:
bonds (distance) C4'-P energy: -85.575
bonds (distance) P-C4' energy: -116.017
flat angles C4'-P-C4' energy: -105.071
flat angles P-C4'-P energy: -67.086
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -733.250600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.250600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.250600 (E_RNA)
where:
Base-Base interactions energy: -400.027
where: short stacking energy: -220.076
Base-Backbone interact. energy: -2.609
local terms energy: -330.614175
where:
bonds (distance) C4'-P energy: -101.119
bonds (distance) P-C4' energy: -91.517
flat angles C4'-P-C4' energy: -97.526
flat angles P-C4'-P energy: -46.832
tors. eta vs tors. theta energy: 6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -560.916090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.916090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.916090 (E_RNA)
where:
Base-Base interactions energy: -247.134
where: short stacking energy: -185.875
Base-Backbone interact. energy: 2.685
local terms energy: -316.467152
where:
bonds (distance) C4'-P energy: -114.911
bonds (distance) P-C4' energy: -90.449
flat angles C4'-P-C4' energy: -74.844
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: 9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1953.792163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.792163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.792163 (E_RNA)
where:
Base-Base interactions energy: -1319.737
where: short stacking energy: -542.078
Base-Backbone interact. energy: 0.346
local terms energy: -634.401405
where:
bonds (distance) C4'-P energy: -123.431
bonds (distance) P-C4' energy: -137.976
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -93.656
tors. eta vs tors. theta energy: -138.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1841.191786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.191786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.191786 (E_RNA)
where:
Base-Base interactions energy: -1218.969
where: short stacking energy: -571.802
Base-Backbone interact. energy: -6.828
local terms energy: -615.395095
where:
bonds (distance) C4'-P energy: -123.013
bonds (distance) P-C4' energy: -125.293
flat angles C4'-P-C4' energy: -140.617
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -148.581
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: 53
Temperature: 1.000000
Total energy: -1806.500394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.500394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.500394 (E_RNA)
where:
Base-Base interactions energy: -1184.818
where: short stacking energy: -512.922
Base-Backbone interact. energy: -5.044
local terms energy: -616.638675
where:
bonds (distance) C4'-P energy: -119.857
bonds (distance) P-C4' energy: -127.438
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -87.306
tors. eta vs tors. theta energy: -151.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1588.555834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.555834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.555834 (E_RNA)
where:
Base-Base interactions energy: -1074.333
where: short stacking energy: -495.447
Base-Backbone interact. energy: 6.065
local terms energy: -520.287586
where:
bonds (distance) C4'-P energy: -102.687
bonds (distance) P-C4' energy: -108.904
flat angles C4'-P-C4' energy: -102.550
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -123.911
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: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1553.047700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.047700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.047700 (E_RNA)
where:
Base-Base interactions energy: -1019.074
where: short stacking energy: -460.567
Base-Backbone interact. energy: -3.405
local terms energy: -530.567937
where:
bonds (distance) C4'-P energy: -101.102
bonds (distance) P-C4' energy: -119.489
flat angles C4'-P-C4' energy: -130.214
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -104.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1279.350524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.350524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.350524 (E_RNA)
where:
Base-Base interactions energy: -797.461
where: short stacking energy: -390.201
Base-Backbone interact. energy: -4.373
local terms energy: -477.516061
where:
bonds (distance) C4'-P energy: -105.014
bonds (distance) P-C4' energy: -109.558
flat angles C4'-P-C4' energy: -120.383
flat angles P-C4'-P energy: -66.711
tors. eta vs tors. theta energy: -75.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1153.464381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.464381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.464381 (E_RNA)
where:
Base-Base interactions energy: -690.566
where: short stacking energy: -346.690
Base-Backbone interact. energy: -0.839
local terms energy: -462.058778
where:
bonds (distance) C4'-P energy: -104.877
bonds (distance) P-C4' energy: -121.799
flat angles C4'-P-C4' energy: -91.767
flat angles P-C4'-P energy: -61.098
tors. eta vs tors. theta energy: -82.518
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: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -977.371265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.371265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.371265 (E_RNA)
where:
Base-Base interactions energy: -578.817
where: short stacking energy: -295.880
Base-Backbone interact. energy: 2.028
local terms energy: -400.582425
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -109.101
flat angles C4'-P-C4' energy: -104.881
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -32.964
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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -674.905596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.905596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.905596 (E_RNA)
where:
Base-Base interactions energy: -344.844
where: short stacking energy: -200.363
Base-Backbone interact. energy: 4.442
local terms energy: -334.503738
where:
bonds (distance) C4'-P energy: -95.420
bonds (distance) P-C4' energy: -92.753
flat angles C4'-P-C4' energy: -88.479
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -549.506653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.506653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.506653 (E_RNA)
where:
Base-Base interactions energy: -199.715
where: short stacking energy: -126.270
Base-Backbone interact. energy: 3.211
local terms energy: -353.002594
where:
bonds (distance) C4'-P energy: -108.043
bonds (distance) P-C4' energy: -126.472
flat angles C4'-P-C4' energy: -98.820
flat angles P-C4'-P energy: -38.483
tors. eta vs tors. theta energy: 18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1974.696364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.696364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.696364 (E_RNA)
where:
Base-Base interactions energy: -1339.541
where: short stacking energy: -561.435
Base-Backbone interact. energy: -2.588
local terms energy: -632.567984
where:
bonds (distance) C4'-P energy: -116.386
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -143.175
flat angles P-C4'-P energy: -90.410
tors. eta vs tors. theta energy: -154.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1813.974058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.974058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.974058 (E_RNA)
where:
Base-Base interactions energy: -1184.809
where: short stacking energy: -541.603
Base-Backbone interact. energy: 0.431
local terms energy: -629.595996
where:
bonds (distance) C4'-P energy: -122.042
bonds (distance) P-C4' energy: -126.378
flat angles C4'-P-C4' energy: -132.406
flat angles P-C4'-P energy: -95.418
tors. eta vs tors. theta energy: -153.351
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: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1831.175023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.175023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.175023 (E_RNA)
where:
Base-Base interactions energy: -1211.765
where: short stacking energy: -566.131
Base-Backbone interact. energy: -4.897
local terms energy: -614.513148
where:
bonds (distance) C4'-P energy: -103.789
bonds (distance) P-C4' energy: -124.491
flat angles C4'-P-C4' energy: -134.341
flat angles P-C4'-P energy: -98.580
tors. eta vs tors. theta energy: -153.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1602.589452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.589452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.589452 (E_RNA)
where:
Base-Base interactions energy: -1039.877
where: short stacking energy: -486.199
Base-Backbone interact. energy: 3.305
local terms energy: -566.017093
where:
bonds (distance) C4'-P energy: -126.317
bonds (distance) P-C4' energy: -112.964
flat angles C4'-P-C4' energy: -118.602
flat angles P-C4'-P energy: -74.419
tors. eta vs tors. theta energy: -133.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1564.770325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.770325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.770325 (E_RNA)
where:
Base-Base interactions energy: -1016.316
where: short stacking energy: -418.902
Base-Backbone interact. energy: -7.132
local terms energy: -541.322704
where:
bonds (distance) C4'-P energy: -118.879
bonds (distance) P-C4' energy: -134.660
flat angles C4'-P-C4' energy: -112.619
flat angles P-C4'-P energy: -68.217
tors. eta vs tors. theta energy: -106.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1308.764176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.764176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.764176 (E_RNA)
where:
Base-Base interactions energy: -813.496
where: short stacking energy: -396.598
Base-Backbone interact. energy: -3.819
local terms energy: -491.449319
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -106.570
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: -105.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1091.920246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.920246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.920246 (E_RNA)
where:
Base-Base interactions energy: -626.158
where: short stacking energy: -322.779
Base-Backbone interact. energy: 1.080
local terms energy: -466.842362
where:
bonds (distance) C4'-P energy: -113.931
bonds (distance) P-C4' energy: -109.441
flat angles C4'-P-C4' energy: -114.377
flat angles P-C4'-P energy: -64.661
tors. eta vs tors. theta energy: -64.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -939.968242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.968242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.968242 (E_RNA)
where:
Base-Base interactions energy: -531.466
where: short stacking energy: -291.235
Base-Backbone interact. energy: 2.056
local terms energy: -410.558104
where:
bonds (distance) C4'-P energy: -105.397
bonds (distance) P-C4' energy: -107.851
flat angles C4'-P-C4' energy: -95.587
flat angles P-C4'-P energy: -54.007
tors. eta vs tors. theta energy: -47.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -675.806366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.806366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.806366 (E_RNA)
where:
Base-Base interactions energy: -317.881
where: short stacking energy: -201.778
Base-Backbone interact. energy: 0.427
local terms energy: -358.352292
where:
bonds (distance) C4'-P energy: -102.391
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -90.133
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: 2.482
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -560.354242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.354242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.354242 (E_RNA)
where:
Base-Base interactions energy: -235.652
where: short stacking energy: -174.812
Base-Backbone interact. energy: -0.651
local terms energy: -324.051448
where:
bonds (distance) C4'-P energy: -88.952
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -88.603
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: 9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1990.592476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.592476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.592476 (E_RNA)
where:
Base-Base interactions energy: -1358.804
where: short stacking energy: -566.352
Base-Backbone interact. energy: 3.742
local terms energy: -635.530322
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -125.866
flat angles C4'-P-C4' energy: -148.757
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -149.242
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: 55
Temperature: 0.950000
Total energy: -1829.112705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.112705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.112705 (E_RNA)
where:
Base-Base interactions energy: -1166.749
where: short stacking energy: -546.695
Base-Backbone interact. energy: -1.704
local terms energy: -660.659575
where:
bonds (distance) C4'-P energy: -118.828
bonds (distance) P-C4' energy: -141.303
flat angles C4'-P-C4' energy: -145.094
flat angles P-C4'-P energy: -94.664
tors. eta vs tors. theta energy: -160.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1828.326385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.326385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.326385 (E_RNA)
where:
Base-Base interactions energy: -1216.084
where: short stacking energy: -532.538
Base-Backbone interact. energy: 2.790
local terms energy: -615.032031
where:
bonds (distance) C4'-P energy: -110.634
bonds (distance) P-C4' energy: -129.910
flat angles C4'-P-C4' energy: -133.545
flat angles P-C4'-P energy: -88.171
tors. eta vs tors. theta energy: -152.772
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: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1605.259610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.259610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.259610 (E_RNA)
where:
Base-Base interactions energy: -1046.882
where: short stacking energy: -472.358
Base-Backbone interact. energy: -1.948
local terms energy: -556.430297
where:
bonds (distance) C4'-P energy: -107.491
bonds (distance) P-C4' energy: -130.698
flat angles C4'-P-C4' energy: -127.324
flat angles P-C4'-P energy: -75.199
tors. eta vs tors. theta energy: -115.719
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: 55
Temperature: 1.100000
Total energy: -1565.250845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.250845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.250845 (E_RNA)
where:
Base-Base interactions energy: -1026.326
where: short stacking energy: -463.923
Base-Backbone interact. energy: -1.393
local terms energy: -537.532137
where:
bonds (distance) C4'-P energy: -113.792
bonds (distance) P-C4' energy: -109.997
flat angles C4'-P-C4' energy: -121.733
flat angles P-C4'-P energy: -77.758
tors. eta vs tors. theta energy: -114.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1321.543419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.543419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.543419 (E_RNA)
where:
Base-Base interactions energy: -843.875
where: short stacking energy: -411.574
Base-Backbone interact. energy: 1.366
local terms energy: -479.034447
where:
bonds (distance) C4'-P energy: -101.748
bonds (distance) P-C4' energy: -116.519
flat angles C4'-P-C4' energy: -110.699
flat angles P-C4'-P energy: -62.635
tors. eta vs tors. theta energy: -87.434
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: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1169.758926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.758926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.758926 (E_RNA)
where:
Base-Base interactions energy: -709.102
where: short stacking energy: -380.575
Base-Backbone interact. energy: -0.677
local terms energy: -459.979912
where:
bonds (distance) C4'-P energy: -93.939
bonds (distance) P-C4' energy: -96.182
flat angles C4'-P-C4' energy: -116.662
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -81.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -906.758702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.758702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.758702 (E_RNA)
where:
Base-Base interactions energy: -493.285
where: short stacking energy: -268.867
Base-Backbone interact. energy: 2.272
local terms energy: -415.745851
where:
bonds (distance) C4'-P energy: -95.328
bonds (distance) P-C4' energy: -108.959
flat angles C4'-P-C4' energy: -96.022
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -42.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -714.368825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.368825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.368825 (E_RNA)
where:
Base-Base interactions energy: -367.062
where: short stacking energy: -210.868
Base-Backbone interact. energy: -0.580
local terms energy: -346.726946
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -82.548
flat angles P-C4'-P energy: -65.235
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -535.693470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.693470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.693470 (E_RNA)
where:
Base-Base interactions energy: -205.623
where: short stacking energy: -158.338
Base-Backbone interact. energy: 0.470
local terms energy: -330.539722
where:
bonds (distance) C4'-P energy: -110.690
bonds (distance) P-C4' energy: -98.256
flat angles C4'-P-C4' energy: -73.698
flat angles P-C4'-P energy: -54.159
tors. eta vs tors. theta energy: 6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1990.345233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.345233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.345233 (E_RNA)
where:
Base-Base interactions energy: -1357.473
where: short stacking energy: -551.076
Base-Backbone interact. energy: -1.654
local terms energy: -631.217795
where:
bonds (distance) C4'-P energy: -132.458
bonds (distance) P-C4' energy: -120.193
flat angles C4'-P-C4' energy: -148.019
flat angles P-C4'-P energy: -79.754
tors. eta vs tors. theta energy: -150.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1869.118043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.118043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.118043 (E_RNA)
where:
Base-Base interactions energy: -1222.859
where: short stacking energy: -565.594
Base-Backbone interact. energy: -4.902
local terms energy: -641.356578
where:
bonds (distance) C4'-P energy: -119.661
bonds (distance) P-C4' energy: -128.533
flat angles C4'-P-C4' energy: -140.778
flat angles P-C4'-P energy: -84.891
tors. eta vs tors. theta energy: -167.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1871.578438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.578438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.578438 (E_RNA)
where:
Base-Base interactions energy: -1277.728
where: short stacking energy: -521.499
Base-Backbone interact. energy: -3.431
local terms energy: -590.419300
where:
bonds (distance) C4'-P energy: -117.680
bonds (distance) P-C4' energy: -131.555
flat angles C4'-P-C4' energy: -125.553
flat angles P-C4'-P energy: -71.719
tors. eta vs tors. theta energy: -143.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1647.102525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.102525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.102525 (E_RNA)
where:
Base-Base interactions energy: -1089.910
where: short stacking energy: -504.503
Base-Backbone interact. energy: -0.480
local terms energy: -556.712821
where:
bonds (distance) C4'-P energy: -115.740
bonds (distance) P-C4' energy: -117.594
flat angles C4'-P-C4' energy: -110.962
flat angles P-C4'-P energy: -82.690
tors. eta vs tors. theta energy: -129.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1563.680083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.680083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.680083 (E_RNA)
where:
Base-Base interactions energy: -999.982
where: short stacking energy: -460.464
Base-Backbone interact. energy: -2.829
local terms energy: -560.868694
where:
bonds (distance) C4'-P energy: -127.964
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -123.233
flat angles P-C4'-P energy: -73.060
tors. eta vs tors. theta energy: -121.520
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: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1309.649893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.649893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.649893 (E_RNA)
where:
Base-Base interactions energy: -813.837
where: short stacking energy: -398.327
Base-Backbone interact. energy: -1.793
local terms energy: -494.019298
where:
bonds (distance) C4'-P energy: -103.489
bonds (distance) P-C4' energy: -104.990
flat angles C4'-P-C4' energy: -122.865
flat angles P-C4'-P energy: -67.815
tors. eta vs tors. theta energy: -94.859
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1126.687717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.687717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.687717 (E_RNA)
where:
Base-Base interactions energy: -658.727
where: short stacking energy: -339.822
Base-Backbone interact. energy: -1.025
local terms energy: -466.935680
where:
bonds (distance) C4'-P energy: -96.053
bonds (distance) P-C4' energy: -124.267
flat angles C4'-P-C4' energy: -115.027
flat angles P-C4'-P energy: -66.545
tors. eta vs tors. theta energy: -65.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -882.462435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.462435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.462435 (E_RNA)
where:
Base-Base interactions energy: -479.110
where: short stacking energy: -262.440
Base-Backbone interact. energy: -1.795
local terms energy: -401.557074
where:
bonds (distance) C4'-P energy: -98.155
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -91.754
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -38.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -690.649188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.649188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.649188 (E_RNA)
where:
Base-Base interactions energy: -344.339
where: short stacking energy: -189.376
Base-Backbone interact. energy: -2.552
local terms energy: -343.758444
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -94.788
flat angles C4'-P-C4' energy: -111.844
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: 10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -535.916360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.916360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.916360 (E_RNA)
where:
Base-Base interactions energy: -203.351
where: short stacking energy: -150.874
Base-Backbone interact. energy: 2.165
local terms energy: -334.731295
where:
bonds (distance) C4'-P energy: -98.433
bonds (distance) P-C4' energy: -108.813
flat angles C4'-P-C4' energy: -85.950
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: 9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2004.903452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.903452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.903452 (E_RNA)
where:
Base-Base interactions energy: -1389.118
where: short stacking energy: -578.278
Base-Backbone interact. energy: -1.779
local terms energy: -614.006574
where:
bonds (distance) C4'-P energy: -134.499
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -128.010
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -152.991
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: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1884.656215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.656215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.656215 (E_RNA)
where:
Base-Base interactions energy: -1258.523
where: short stacking energy: -583.029
Base-Backbone interact. energy: -3.915
local terms energy: -622.218107
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -127.287
flat angles C4'-P-C4' energy: -139.453
flat angles P-C4'-P energy: -86.145
tors. eta vs tors. theta energy: -166.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1869.644510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.644510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.644510 (E_RNA)
where:
Base-Base interactions energy: -1240.519
where: short stacking energy: -518.670
Base-Backbone interact. energy: -3.837
local terms energy: -625.289270
where:
bonds (distance) C4'-P energy: -126.858
bonds (distance) P-C4' energy: -122.711
flat angles C4'-P-C4' energy: -143.247
flat angles P-C4'-P energy: -92.152
tors. eta vs tors. theta energy: -140.322
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: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1674.696963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.696963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.696963 (E_RNA)
where:
Base-Base interactions energy: -1105.487
where: short stacking energy: -484.241
Base-Backbone interact. energy: -1.183
local terms energy: -568.026914
where:
bonds (distance) C4'-P energy: -99.361
bonds (distance) P-C4' energy: -115.211
flat angles C4'-P-C4' energy: -133.223
flat angles P-C4'-P energy: -86.664
tors. eta vs tors. theta energy: -133.568
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: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1572.972474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.972474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.972474 (E_RNA)
where:
Base-Base interactions energy: -1075.806
where: short stacking energy: -464.739
Base-Backbone interact. energy: -1.017
local terms energy: -496.149406
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -106.615
flat angles C4'-P-C4' energy: -115.143
flat angles P-C4'-P energy: -63.569
tors. eta vs tors. theta energy: -96.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1359.392122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.392122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.392122 (E_RNA)
where:
Base-Base interactions energy: -880.239
where: short stacking energy: -398.020
Base-Backbone interact. energy: -2.137
local terms energy: -477.015969
where:
bonds (distance) C4'-P energy: -96.018
bonds (distance) P-C4' energy: -104.147
flat angles C4'-P-C4' energy: -114.097
flat angles P-C4'-P energy: -74.677
tors. eta vs tors. theta energy: -88.077
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1082.671124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.671124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.671124 (E_RNA)
where:
Base-Base interactions energy: -636.407
where: short stacking energy: -300.872
Base-Backbone interact. energy: -1.726
local terms energy: -444.538047
where:
bonds (distance) C4'-P energy: -110.067
bonds (distance) P-C4' energy: -110.289
flat angles C4'-P-C4' energy: -105.596
flat angles P-C4'-P energy: -66.184
tors. eta vs tors. theta energy: -52.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -820.409683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.409683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.409683 (E_RNA)
where:
Base-Base interactions energy: -449.130
where: short stacking energy: -257.752
Base-Backbone interact. energy: -2.125
local terms energy: -369.154725
where:
bonds (distance) C4'-P energy: -89.914
bonds (distance) P-C4' energy: -105.122
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -35.104
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -671.298863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.298863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.298863 (E_RNA)
where:
Base-Base interactions energy: -309.727
where: short stacking energy: -192.518
Base-Backbone interact. energy: 4.095
local terms energy: -365.667222
where:
bonds (distance) C4'-P energy: -116.721
bonds (distance) P-C4' energy: -90.863
flat angles C4'-P-C4' energy: -85.267
flat angles P-C4'-P energy: -68.997
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -541.962762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.962762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.962762 (E_RNA)
where:
Base-Base interactions energy: -219.013
where: short stacking energy: -151.065
Base-Backbone interact. energy: -0.236
local terms energy: -322.714148
where:
bonds (distance) C4'-P energy: -87.905
bonds (distance) P-C4' energy: -115.101
flat angles C4'-P-C4' energy: -93.160
flat angles P-C4'-P energy: -37.823
tors. eta vs tors. theta energy: 11.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2037.334292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.334292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.334292 (E_RNA)
where:
Base-Base interactions energy: -1408.006
where: short stacking energy: -556.890
Base-Backbone interact. energy: -1.334
local terms energy: -627.994452
where:
bonds (distance) C4'-P energy: -118.592
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -133.428
flat angles P-C4'-P energy: -89.373
tors. eta vs tors. theta energy: -155.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1818.038186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.038186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.038186 (E_RNA)
where:
Base-Base interactions energy: -1201.837
where: short stacking energy: -540.741
Base-Backbone interact. energy: -0.686
local terms energy: -615.514584
where:
bonds (distance) C4'-P energy: -124.537
bonds (distance) P-C4' energy: -120.602
flat angles C4'-P-C4' energy: -131.698
flat angles P-C4'-P energy: -86.253
tors. eta vs tors. theta energy: -152.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1881.561656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.561656 (E_RNA)
where:
Base-Base interactions energy: -1274.446
where: short stacking energy: -541.712
Base-Backbone interact. energy: -6.010
local terms energy: -601.105851
where:
bonds (distance) C4'-P energy: -110.748
bonds (distance) P-C4' energy: -115.276
flat angles C4'-P-C4' energy: -137.570
flat angles P-C4'-P energy: -87.720
tors. eta vs tors. theta energy: -149.791
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: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1681.839722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.839722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.839722 (E_RNA)
where:
Base-Base interactions energy: -1136.298
where: short stacking energy: -495.606
Base-Backbone interact. energy: -0.420
local terms energy: -545.121523
where:
bonds (distance) C4'-P energy: -101.896
bonds (distance) P-C4' energy: -113.771
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -81.138
tors. eta vs tors. theta energy: -127.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1593.282653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.282653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.282653 (E_RNA)
where:
Base-Base interactions energy: -1044.414
where: short stacking energy: -466.483
Base-Backbone interact. energy: -1.272
local terms energy: -547.597157
where:
bonds (distance) C4'-P energy: -110.130
bonds (distance) P-C4' energy: -120.903
flat angles C4'-P-C4' energy: -127.061
flat angles P-C4'-P energy: -77.626
tors. eta vs tors. theta energy: -111.878
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: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1390.145301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.145301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.145301 (E_RNA)
where:
Base-Base interactions energy: -884.275
where: short stacking energy: -439.131
Base-Backbone interact. energy: -1.150
local terms energy: -504.720768
where:
bonds (distance) C4'-P energy: -108.429
bonds (distance) P-C4' energy: -114.711
flat angles C4'-P-C4' energy: -105.082
flat angles P-C4'-P energy: -78.393
tors. eta vs tors. theta energy: -98.106
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: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1052.628075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.628075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.628075 (E_RNA)
where:
Base-Base interactions energy: -582.626
where: short stacking energy: -302.674
Base-Backbone interact. energy: -4.895
local terms energy: -465.107235
where:
bonds (distance) C4'-P energy: -116.951
bonds (distance) P-C4' energy: -113.252
flat angles C4'-P-C4' energy: -97.646
flat angles P-C4'-P energy: -80.576
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -832.028942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.028942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.028942 (E_RNA)
where:
Base-Base interactions energy: -432.243
where: short stacking energy: -247.763
Base-Backbone interact. energy: 2.283
local terms energy: -402.068800
where:
bonds (distance) C4'-P energy: -105.774
bonds (distance) P-C4' energy: -94.327
flat angles C4'-P-C4' energy: -107.977
flat angles P-C4'-P energy: -66.867
tors. eta vs tors. theta energy: -27.123
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: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -665.609890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.609890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.609890 (E_RNA)
where:
Base-Base interactions energy: -307.452
where: short stacking energy: -226.836
Base-Backbone interact. energy: 5.754
local terms energy: -363.911791
where:
bonds (distance) C4'-P energy: -88.547
bonds (distance) P-C4' energy: -109.307
flat angles C4'-P-C4' energy: -87.199
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -567.940501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.940501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.940501 (E_RNA)
where:
Base-Base interactions energy: -250.661
where: short stacking energy: -175.090
Base-Backbone interact. energy: 3.786
local terms energy: -321.064923
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -90.850
flat angles C4'-P-C4' energy: -83.027
flat angles P-C4'-P energy: -60.571
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2000.198564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.198564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.198564 (E_RNA)
where:
Base-Base interactions energy: -1375.211
where: short stacking energy: -552.220
Base-Backbone interact. energy: -4.201
local terms energy: -620.786380
where:
bonds (distance) C4'-P energy: -123.229
bonds (distance) P-C4' energy: -125.996
flat angles C4'-P-C4' energy: -142.523
flat angles P-C4'-P energy: -78.598
tors. eta vs tors. theta energy: -150.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1824.503495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.503495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.503495 (E_RNA)
where:
Base-Base interactions energy: -1197.861
where: short stacking energy: -560.163
Base-Backbone interact. energy: -2.465
local terms energy: -624.177830
where:
bonds (distance) C4'-P energy: -121.604
bonds (distance) P-C4' energy: -127.705
flat angles C4'-P-C4' energy: -141.255
flat angles P-C4'-P energy: -88.847
tors. eta vs tors. theta energy: -144.768
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: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1836.315532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.315532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.315532 (E_RNA)
where:
Base-Base interactions energy: -1227.012
where: short stacking energy: -537.556
Base-Backbone interact. energy: -2.285
local terms energy: -607.019161
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -76.481
tors. eta vs tors. theta energy: -148.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1657.917483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.917483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.917483 (E_RNA)
where:
Base-Base interactions energy: -1093.623
where: short stacking energy: -479.511
Base-Backbone interact. energy: 4.257
local terms energy: -568.551448
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -115.217
flat angles C4'-P-C4' energy: -125.784
flat angles P-C4'-P energy: -71.980
tors. eta vs tors. theta energy: -131.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1523.582310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.582310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.582310 (E_RNA)
where:
Base-Base interactions energy: -1001.195
where: short stacking energy: -455.813
Base-Backbone interact. energy: 0.148
local terms energy: -522.535581
where:
bonds (distance) C4'-P energy: -110.053
bonds (distance) P-C4' energy: -110.641
flat angles C4'-P-C4' energy: -125.779
flat angles P-C4'-P energy: -73.228
tors. eta vs tors. theta energy: -102.835
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1363.804848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.804848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.804848 (E_RNA)
where:
Base-Base interactions energy: -879.999
where: short stacking energy: -409.444
Base-Backbone interact. energy: -0.081
local terms energy: -483.725104
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -110.831
flat angles C4'-P-C4' energy: -100.988
flat angles P-C4'-P energy: -68.717
tors. eta vs tors. theta energy: -81.951
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1013.660379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.660379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.660379 (E_RNA)
where:
Base-Base interactions energy: -580.589
where: short stacking energy: -307.386
Base-Backbone interact. energy: -1.695
local terms energy: -431.376599
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -103.890
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -75.693
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -748.619910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.619910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.619910 (E_RNA)
where:
Base-Base interactions energy: -393.538
where: short stacking energy: -252.191
Base-Backbone interact. energy: -1.612
local terms energy: -353.469311
where:
bonds (distance) C4'-P energy: -98.985
bonds (distance) P-C4' energy: -103.725
flat angles C4'-P-C4' energy: -74.789
flat angles P-C4'-P energy: -53.023
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -636.731118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.731118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.731118 (E_RNA)
where:
Base-Base interactions energy: -267.556
where: short stacking energy: -162.819
Base-Backbone interact. energy: -0.983
local terms energy: -368.192608
where:
bonds (distance) C4'-P energy: -84.216
bonds (distance) P-C4' energy: -118.802
flat angles C4'-P-C4' energy: -94.610
flat angles P-C4'-P energy: -69.985
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -611.720072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.720072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.720072 (E_RNA)
where:
Base-Base interactions energy: -288.273
where: short stacking energy: -172.244
Base-Backbone interact. energy: -0.071
local terms energy: -323.376320
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -72.529
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1995.268451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.268451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.268451 (E_RNA)
where:
Base-Base interactions energy: -1366.397
where: short stacking energy: -563.028
Base-Backbone interact. energy: -1.066
local terms energy: -627.804858
where:
bonds (distance) C4'-P energy: -126.961
bonds (distance) P-C4' energy: -131.855
flat angles C4'-P-C4' energy: -135.852
flat angles P-C4'-P energy: -87.842
tors. eta vs tors. theta energy: -145.295
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1871.526550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.526550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.526550 (E_RNA)
where:
Base-Base interactions energy: -1233.461
where: short stacking energy: -589.111
Base-Backbone interact. energy: -1.330
local terms energy: -636.735763
where:
bonds (distance) C4'-P energy: -123.661
bonds (distance) P-C4' energy: -124.970
flat angles C4'-P-C4' energy: -128.819
flat angles P-C4'-P energy: -88.564
tors. eta vs tors. theta energy: -170.722
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: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1868.669098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.669098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.669098 (E_RNA)
where:
Base-Base interactions energy: -1259.704
where: short stacking energy: -538.031
Base-Backbone interact. energy: -6.435
local terms energy: -602.529527
where:
bonds (distance) C4'-P energy: -108.592
bonds (distance) P-C4' energy: -119.648
flat angles C4'-P-C4' energy: -126.076
flat angles P-C4'-P energy: -89.035
tors. eta vs tors. theta energy: -159.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1624.802964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.802964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.802964 (E_RNA)
where:
Base-Base interactions energy: -1073.707
where: short stacking energy: -491.508
Base-Backbone interact. energy: -0.347
local terms energy: -550.749166
where:
bonds (distance) C4'-P energy: -117.873
bonds (distance) P-C4' energy: -117.004
flat angles C4'-P-C4' energy: -120.698
flat angles P-C4'-P energy: -72.092
tors. eta vs tors. theta energy: -123.082
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: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1477.878613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.878613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.878613 (E_RNA)
where:
Base-Base interactions energy: -984.122
where: short stacking energy: -443.055
Base-Backbone interact. energy: -0.403
local terms energy: -493.353834
where:
bonds (distance) C4'-P energy: -108.401
bonds (distance) P-C4' energy: -107.586
flat angles C4'-P-C4' energy: -113.036
flat angles P-C4'-P energy: -68.969
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1339.288835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.288835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.288835 (E_RNA)
where:
Base-Base interactions energy: -851.922
where: short stacking energy: -414.674
Base-Backbone interact. energy: -3.319
local terms energy: -484.047896
where:
bonds (distance) C4'-P energy: -121.528
bonds (distance) P-C4' energy: -107.584
flat angles C4'-P-C4' energy: -112.445
flat angles P-C4'-P energy: -56.608
tors. eta vs tors. theta energy: -85.882
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1051.437325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.437325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.437325 (E_RNA)
where:
Base-Base interactions energy: -616.747
where: short stacking energy: -335.026
Base-Backbone interact. energy: -1.128
local terms energy: -433.562244
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -100.002
flat angles C4'-P-C4' energy: -107.913
flat angles P-C4'-P energy: -74.487
tors. eta vs tors. theta energy: -44.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -715.272143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.272143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.272143 (E_RNA)
where:
Base-Base interactions energy: -349.493
where: short stacking energy: -216.304
Base-Backbone interact. energy: 0.608
local terms energy: -366.387390
where:
bonds (distance) C4'-P energy: -83.027
bonds (distance) P-C4' energy: -114.636
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -49.729
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -640.928693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.928693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.928693 (E_RNA)
where:
Base-Base interactions energy: -275.994
where: short stacking energy: -195.609
Base-Backbone interact. energy: 1.975
local terms energy: -366.908837
where:
bonds (distance) C4'-P energy: -124.675
bonds (distance) P-C4' energy: -106.920
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: 9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -609.302937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.302937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.302937 (E_RNA)
where:
Base-Base interactions energy: -255.397
where: short stacking energy: -184.138
Base-Backbone interact. energy: 5.012
local terms energy: -358.918155
where:
bonds (distance) C4'-P energy: -112.263
bonds (distance) P-C4' energy: -103.548
flat angles C4'-P-C4' energy: -101.194
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: 7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1974.854567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.854567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.854567 (E_RNA)
where:
Base-Base interactions energy: -1344.571
where: short stacking energy: -539.397
Base-Backbone interact. energy: -0.717
local terms energy: -629.566883
where:
bonds (distance) C4'-P energy: -122.189
bonds (distance) P-C4' energy: -135.023
flat angles C4'-P-C4' energy: -142.853
flat angles P-C4'-P energy: -85.666
tors. eta vs tors. theta energy: -143.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1840.799996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.799996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.799996 (E_RNA)
where:
Base-Base interactions energy: -1208.964
where: short stacking energy: -545.956
Base-Backbone interact. energy: -1.564
local terms energy: -630.271960
where:
bonds (distance) C4'-P energy: -116.549
bonds (distance) P-C4' energy: -119.934
flat angles C4'-P-C4' energy: -146.492
flat angles P-C4'-P energy: -82.752
tors. eta vs tors. theta energy: -164.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1882.269310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.269310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.269310 (E_RNA)
where:
Base-Base interactions energy: -1271.220
where: short stacking energy: -532.490
Base-Backbone interact. energy: -3.353
local terms energy: -607.696270
where:
bonds (distance) C4'-P energy: -116.482
bonds (distance) P-C4' energy: -125.046
flat angles C4'-P-C4' energy: -138.680
flat angles P-C4'-P energy: -83.714
tors. eta vs tors. theta energy: -143.774
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: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1643.449428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.449428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.449428 (E_RNA)
where:
Base-Base interactions energy: -1072.925
where: short stacking energy: -481.816
Base-Backbone interact. energy: -5.193
local terms energy: -565.330592
where:
bonds (distance) C4'-P energy: -115.899
bonds (distance) P-C4' energy: -125.616
flat angles C4'-P-C4' energy: -131.276
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: -126.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1517.455131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.455131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.455131 (E_RNA)
where:
Base-Base interactions energy: -995.011
where: short stacking energy: -420.360
Base-Backbone interact. energy: 2.249
local terms energy: -524.692699
where:
bonds (distance) C4'-P energy: -106.235
bonds (distance) P-C4' energy: -124.989
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -84.017
tors. eta vs tors. theta energy: -97.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1362.320573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.320573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.320573 (E_RNA)
where:
Base-Base interactions energy: -882.648
where: short stacking energy: -421.935
Base-Backbone interact. energy: -1.590
local terms energy: -478.082505
where:
bonds (distance) C4'-P energy: -92.409
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -128.874
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -77.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1158.286938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.286938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.286938 (E_RNA)
where:
Base-Base interactions energy: -722.955
where: short stacking energy: -346.970
Base-Backbone interact. energy: -0.224
local terms energy: -435.107543
where:
bonds (distance) C4'-P energy: -99.378
bonds (distance) P-C4' energy: -105.369
flat angles C4'-P-C4' energy: -103.293
flat angles P-C4'-P energy: -64.190
tors. eta vs tors. theta energy: -62.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -758.447356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.447356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.447356 (E_RNA)
where:
Base-Base interactions energy: -367.627
where: short stacking energy: -225.472
Base-Backbone interact. energy: -1.381
local terms energy: -389.438705
where:
bonds (distance) C4'-P energy: -127.034
bonds (distance) P-C4' energy: -106.535
flat angles C4'-P-C4' energy: -89.823
flat angles P-C4'-P energy: -62.712
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -638.434372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.434372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.434372 (E_RNA)
where:
Base-Base interactions energy: -255.874
where: short stacking energy: -178.122
Base-Backbone interact. energy: -1.791
local terms energy: -380.768704
where:
bonds (distance) C4'-P energy: -108.465
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -101.830
flat angles P-C4'-P energy: -66.837
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -558.903258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.903258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.903258 (E_RNA)
where:
Base-Base interactions energy: -240.240
where: short stacking energy: -162.189
Base-Backbone interact. energy: 1.386
local terms energy: -320.049109
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -104.912
flat angles C4'-P-C4' energy: -94.012
flat angles P-C4'-P energy: -42.138
tors. eta vs tors. theta energy: 20.019
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: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1961.630213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.630213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.630213 (E_RNA)
where:
Base-Base interactions energy: -1324.830
where: short stacking energy: -575.923
Base-Backbone interact. energy: -1.629
local terms energy: -635.171098
where:
bonds (distance) C4'-P energy: -120.084
bonds (distance) P-C4' energy: -130.421
flat angles C4'-P-C4' energy: -149.514
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -150.849
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1864.192820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.192820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.192820 (E_RNA)
where:
Base-Base interactions energy: -1234.766
where: short stacking energy: -579.066
Base-Backbone interact. energy: -4.458
local terms energy: -624.968688
where:
bonds (distance) C4'-P energy: -110.321
bonds (distance) P-C4' energy: -118.003
flat angles C4'-P-C4' energy: -141.042
flat angles P-C4'-P energy: -94.418
tors. eta vs tors. theta energy: -161.184
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1897.762512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.762512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.762512 (E_RNA)
where:
Base-Base interactions energy: -1278.124
where: short stacking energy: -556.787
Base-Backbone interact. energy: -4.478
local terms energy: -615.160246
where:
bonds (distance) C4'-P energy: -127.898
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -142.748
flat angles P-C4'-P energy: -76.476
tors. eta vs tors. theta energy: -149.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1657.734580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.734580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.734580 (E_RNA)
where:
Base-Base interactions energy: -1103.345
where: short stacking energy: -481.999
Base-Backbone interact. energy: -2.544
local terms energy: -551.845909
where:
bonds (distance) C4'-P energy: -121.864
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -113.917
flat angles P-C4'-P energy: -76.094
tors. eta vs tors. theta energy: -128.941
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: 62
Temperature: 1.100000
Total energy: -1513.375266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.375266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.375266 (E_RNA)
where:
Base-Base interactions energy: -1022.589
where: short stacking energy: -438.301
Base-Backbone interact. energy: -0.717
local terms energy: -490.068723
where:
bonds (distance) C4'-P energy: -107.344
bonds (distance) P-C4' energy: -94.673
flat angles C4'-P-C4' energy: -108.977
flat angles P-C4'-P energy: -77.785
tors. eta vs tors. theta energy: -101.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1344.073394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.073394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.073394 (E_RNA)
where:
Base-Base interactions energy: -863.286
where: short stacking energy: -416.015
Base-Backbone interact. energy: -2.276
local terms energy: -478.510956
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -124.474
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -89.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1185.317223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.317223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.317223 (E_RNA)
where:
Base-Base interactions energy: -690.951
where: short stacking energy: -324.373
Base-Backbone interact. energy: -1.429
local terms energy: -492.937401
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -138.708
flat angles C4'-P-C4' energy: -116.012
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -55.973
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: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -826.666331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.666331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.666331 (E_RNA)
where:
Base-Base interactions energy: -458.362
where: short stacking energy: -243.616
Base-Backbone interact. energy: 0.236
local terms energy: -368.540550
where:
bonds (distance) C4'-P energy: -103.185
bonds (distance) P-C4' energy: -96.660
flat angles C4'-P-C4' energy: -107.777
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -664.813382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.813382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.813382 (E_RNA)
where:
Base-Base interactions energy: -320.662
where: short stacking energy: -182.991
Base-Backbone interact. energy: -0.016
local terms energy: -344.135735
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -101.585
flat angles C4'-P-C4' energy: -88.771
flat angles P-C4'-P energy: -57.903
tors. eta vs tors. theta energy: 8.771
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -568.738660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.738660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.738660 (E_RNA)
where:
Base-Base interactions energy: -220.854
where: short stacking energy: -156.575
Base-Backbone interact. energy: 6.001
local terms energy: -353.886126
where:
bonds (distance) C4'-P energy: -105.492
bonds (distance) P-C4' energy: -103.449
flat angles C4'-P-C4' energy: -83.637
flat angles P-C4'-P energy: -59.894
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1967.114054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.114054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.114054 (E_RNA)
where:
Base-Base interactions energy: -1336.286
where: short stacking energy: -545.878
Base-Backbone interact. energy: -2.659
local terms energy: -628.169434
where:
bonds (distance) C4'-P energy: -129.406
bonds (distance) P-C4' energy: -123.086
flat angles C4'-P-C4' energy: -136.379
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -147.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1967.442311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.442311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.442311 (E_RNA)
where:
Base-Base interactions energy: -1361.595
where: short stacking energy: -595.517
Base-Backbone interact. energy: -0.081
local terms energy: -605.766375
where:
bonds (distance) C4'-P energy: -103.035
bonds (distance) P-C4' energy: -127.290
flat angles C4'-P-C4' energy: -133.978
flat angles P-C4'-P energy: -86.142
tors. eta vs tors. theta energy: -155.321
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: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1793.231855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.231855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.231855 (E_RNA)
where:
Base-Base interactions energy: -1204.613
where: short stacking energy: -569.440
Base-Backbone interact. energy: -2.393
local terms energy: -586.225687
where:
bonds (distance) C4'-P energy: -108.418
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -131.914
flat angles P-C4'-P energy: -79.794
tors. eta vs tors. theta energy: -156.239
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: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1685.483433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.483433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.483433 (E_RNA)
where:
Base-Base interactions energy: -1117.454
where: short stacking energy: -498.211
Base-Backbone interact. energy: -1.175
local terms energy: -566.854090
where:
bonds (distance) C4'-P energy: -105.490
bonds (distance) P-C4' energy: -131.066
flat angles C4'-P-C4' energy: -126.337
flat angles P-C4'-P energy: -72.051
tors. eta vs tors. theta energy: -131.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1538.088666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.088666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.088666 (E_RNA)
where:
Base-Base interactions energy: -992.368
where: short stacking energy: -472.769
Base-Backbone interact. energy: -0.828
local terms energy: -544.892637
where:
bonds (distance) C4'-P energy: -119.402
bonds (distance) P-C4' energy: -130.403
flat angles C4'-P-C4' energy: -122.154
flat angles P-C4'-P energy: -62.227
tors. eta vs tors. theta energy: -110.706
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: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1332.983762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.983762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.983762 (E_RNA)
where:
Base-Base interactions energy: -845.934
where: short stacking energy: -428.414
Base-Backbone interact. energy: 2.730
local terms energy: -489.779832
where:
bonds (distance) C4'-P energy: -103.937
bonds (distance) P-C4' energy: -122.796
flat angles C4'-P-C4' energy: -103.195
flat angles P-C4'-P energy: -69.544
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: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1219.708354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.708354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.708354 (E_RNA)
where:
Base-Base interactions energy: -748.162
where: short stacking energy: -355.902
Base-Backbone interact. energy: 0.818
local terms energy: -472.364066
where:
bonds (distance) C4'-P energy: -105.086
bonds (distance) P-C4' energy: -110.380
flat angles C4'-P-C4' energy: -110.340
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -75.527
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: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -797.849371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.849371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.849371 (E_RNA)
where:
Base-Base interactions energy: -425.438
where: short stacking energy: -244.802
Base-Backbone interact. energy: -1.701
local terms energy: -370.710812
where:
bonds (distance) C4'-P energy: -102.303
bonds (distance) P-C4' energy: -105.626
flat angles C4'-P-C4' energy: -95.062
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -653.554079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.554079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.554079 (E_RNA)
where:
Base-Base interactions energy: -284.860
where: short stacking energy: -205.393
Base-Backbone interact. energy: -0.495
local terms energy: -368.199704
where:
bonds (distance) C4'-P energy: -93.474
bonds (distance) P-C4' energy: -104.396
flat angles C4'-P-C4' energy: -87.497
flat angles P-C4'-P energy: -59.287
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -575.987641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.987641 (E_RNA)
where:
Base-Base interactions energy: -246.677
where: short stacking energy: -136.199
Base-Backbone interact. energy: 3.395
local terms energy: -332.705890
where:
bonds (distance) C4'-P energy: -94.528
bonds (distance) P-C4' energy: -126.985
flat angles C4'-P-C4' energy: -87.052
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: 18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1995.269851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.269851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.269851 (E_RNA)
where:
Base-Base interactions energy: -1371.462
where: short stacking energy: -546.227
Base-Backbone interact. energy: -5.107
local terms energy: -618.700686
where:
bonds (distance) C4'-P energy: -117.378
bonds (distance) P-C4' energy: -123.772
flat angles C4'-P-C4' energy: -147.338
flat angles P-C4'-P energy: -87.507
tors. eta vs tors. theta energy: -142.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1974.220485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.220485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.220485 (E_RNA)
where:
Base-Base interactions energy: -1349.851
where: short stacking energy: -574.427
Base-Backbone interact. energy: -1.416
local terms energy: -622.953963
where:
bonds (distance) C4'-P energy: -122.167
bonds (distance) P-C4' energy: -123.434
flat angles C4'-P-C4' energy: -147.165
flat angles P-C4'-P energy: -72.396
tors. eta vs tors. theta energy: -157.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1759.940100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.940100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.940100 (E_RNA)
where:
Base-Base interactions energy: -1146.845
where: short stacking energy: -544.579
Base-Backbone interact. energy: 0.894
local terms energy: -613.989371
where:
bonds (distance) C4'-P energy: -124.111
bonds (distance) P-C4' energy: -124.989
flat angles C4'-P-C4' energy: -125.413
flat angles P-C4'-P energy: -82.992
tors. eta vs tors. theta energy: -156.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1672.058562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.058562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.058562 (E_RNA)
where:
Base-Base interactions energy: -1116.178
where: short stacking energy: -492.515
Base-Backbone interact. energy: 1.963
local terms energy: -557.843683
where:
bonds (distance) C4'-P energy: -116.728
bonds (distance) P-C4' energy: -112.890
flat angles C4'-P-C4' energy: -132.075
flat angles P-C4'-P energy: -60.461
tors. eta vs tors. theta energy: -135.690
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1569.922377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.922377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.922377 (E_RNA)
where:
Base-Base interactions energy: -1023.336
where: short stacking energy: -438.072
Base-Backbone interact. energy: 2.418
local terms energy: -549.005004
where:
bonds (distance) C4'-P energy: -112.620
bonds (distance) P-C4' energy: -132.495
flat angles C4'-P-C4' energy: -129.847
flat angles P-C4'-P energy: -67.303
tors. eta vs tors. theta energy: -106.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1357.097006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.097006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.097006 (E_RNA)
where:
Base-Base interactions energy: -882.866
where: short stacking energy: -412.504
Base-Backbone interact. energy: 2.319
local terms energy: -476.549656
where:
bonds (distance) C4'-P energy: -108.262
bonds (distance) P-C4' energy: -117.845
flat angles C4'-P-C4' energy: -113.615
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: -82.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1219.058051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.058051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.058051 (E_RNA)
where:
Base-Base interactions energy: -767.466
where: short stacking energy: -359.530
Base-Backbone interact. energy: 2.914
local terms energy: -454.506264
where:
bonds (distance) C4'-P energy: -107.765
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -100.959
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -79.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -892.503097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.503097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.503097 (E_RNA)
where:
Base-Base interactions energy: -471.482
where: short stacking energy: -284.606
Base-Backbone interact. energy: -0.038
local terms energy: -420.982882
where:
bonds (distance) C4'-P energy: -109.779
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -105.518
flat angles P-C4'-P energy: -65.891
tors. eta vs tors. theta energy: -31.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -652.901901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.901901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.901901 (E_RNA)
where:
Base-Base interactions energy: -304.082
where: short stacking energy: -193.427
Base-Backbone interact. energy: -3.811
local terms energy: -345.008567
where:
bonds (distance) C4'-P energy: -88.900
bonds (distance) P-C4' energy: -111.248
flat angles C4'-P-C4' energy: -90.093
flat angles P-C4'-P energy: -50.464
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: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -596.412006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.412006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.412006 (E_RNA)
where:
Base-Base interactions energy: -279.071
where: short stacking energy: -175.138
Base-Backbone interact. energy: -4.053
local terms energy: -313.288091
where:
bonds (distance) C4'-P energy: -84.451
bonds (distance) P-C4' energy: -107.156
flat angles C4'-P-C4' energy: -79.881
flat angles P-C4'-P energy: -55.190
tors. eta vs tors. theta energy: 13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2026.081298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.081298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.081298 (E_RNA)
where:
Base-Base interactions energy: -1402.334
where: short stacking energy: -570.070
Base-Backbone interact. energy: -2.203
local terms energy: -621.543855
where:
bonds (distance) C4'-P energy: -127.262
bonds (distance) P-C4' energy: -113.814
flat angles C4'-P-C4' energy: -138.645
flat angles P-C4'-P energy: -94.409
tors. eta vs tors. theta energy: -147.413
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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1947.069137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.069137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.069137 (E_RNA)
where:
Base-Base interactions energy: -1329.280
where: short stacking energy: -549.354
Base-Backbone interact. energy: -2.778
local terms energy: -615.011593
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -126.676
flat angles C4'-P-C4' energy: -134.378
flat angles P-C4'-P energy: -87.590
tors. eta vs tors. theta energy: -159.474
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1806.933203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.933203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.933203 (E_RNA)
where:
Base-Base interactions energy: -1194.819
where: short stacking energy: -572.323
Base-Backbone interact. energy: -5.302
local terms energy: -606.812230
where:
bonds (distance) C4'-P energy: -114.073
bonds (distance) P-C4' energy: -120.836
flat angles C4'-P-C4' energy: -137.882
flat angles P-C4'-P energy: -83.533
tors. eta vs tors. theta energy: -150.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1684.808633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.808633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.808633 (E_RNA)
where:
Base-Base interactions energy: -1093.019
where: short stacking energy: -511.693
Base-Backbone interact. energy: -3.968
local terms energy: -587.821231
where:
bonds (distance) C4'-P energy: -131.572
bonds (distance) P-C4' energy: -123.970
flat angles C4'-P-C4' energy: -124.972
flat angles P-C4'-P energy: -69.167
tors. eta vs tors. theta energy: -138.141
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: 65
Temperature: 1.100000
Total energy: -1535.315565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.315565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.315565 (E_RNA)
where:
Base-Base interactions energy: -994.411
where: short stacking energy: -461.784
Base-Backbone interact. energy: -2.534
local terms energy: -538.370609
where:
bonds (distance) C4'-P energy: -95.164
bonds (distance) P-C4' energy: -125.560
flat angles C4'-P-C4' energy: -130.898
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -115.209
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1389.816425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.816425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.816425 (E_RNA)
where:
Base-Base interactions energy: -882.828
where: short stacking energy: -435.639
Base-Backbone interact. energy: -3.671
local terms energy: -503.317570
where:
bonds (distance) C4'-P energy: -128.086
bonds (distance) P-C4' energy: -105.501
flat angles C4'-P-C4' energy: -117.412
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -86.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1156.362055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.362055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.362055 (E_RNA)
where:
Base-Base interactions energy: -711.826
where: short stacking energy: -333.773
Base-Backbone interact. energy: 3.561
local terms energy: -448.096759
where:
bonds (distance) C4'-P energy: -108.153
bonds (distance) P-C4' energy: -92.125
flat angles C4'-P-C4' energy: -109.085
flat angles P-C4'-P energy: -75.199
tors. eta vs tors. theta energy: -63.536
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: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -841.115392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.115392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.115392 (E_RNA)
where:
Base-Base interactions energy: -443.354
where: short stacking energy: -250.389
Base-Backbone interact. energy: 0.821
local terms energy: -398.582477
where:
bonds (distance) C4'-P energy: -103.774
bonds (distance) P-C4' energy: -91.786
flat angles C4'-P-C4' energy: -106.355
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -637.746045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.746045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.746045 (E_RNA)
where:
Base-Base interactions energy: -301.397
where: short stacking energy: -197.022
Base-Backbone interact. energy: -1.143
local terms energy: -335.205869
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -109.771
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -55.915
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -623.925162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.925162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.925162 (E_RNA)
where:
Base-Base interactions energy: -288.856
where: short stacking energy: -175.577
Base-Backbone interact. energy: -2.707
local terms energy: -332.362179
where:
bonds (distance) C4'-P energy: -93.994
bonds (distance) P-C4' energy: -108.698
flat angles C4'-P-C4' energy: -85.086
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1993.830540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.830540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.830540 (E_RNA)
where:
Base-Base interactions energy: -1361.484
where: short stacking energy: -571.724
Base-Backbone interact. energy: 0.365
local terms energy: -632.711240
where:
bonds (distance) C4'-P energy: -126.409
bonds (distance) P-C4' energy: -126.137
flat angles C4'-P-C4' energy: -138.512
flat angles P-C4'-P energy: -81.898
tors. eta vs tors. theta energy: -159.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1923.954880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.954880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.954880 (E_RNA)
where:
Base-Base interactions energy: -1312.319
where: short stacking energy: -565.778
Base-Backbone interact. energy: -1.581
local terms energy: -610.054893
where:
bonds (distance) C4'-P energy: -112.450
bonds (distance) P-C4' energy: -117.392
flat angles C4'-P-C4' energy: -137.179
flat angles P-C4'-P energy: -87.752
tors. eta vs tors. theta energy: -155.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1777.821655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.821655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.821655 (E_RNA)
where:
Base-Base interactions energy: -1160.505
where: short stacking energy: -522.239
Base-Backbone interact. energy: -0.388
local terms energy: -616.928229
where:
bonds (distance) C4'-P energy: -122.790
bonds (distance) P-C4' energy: -128.795
flat angles C4'-P-C4' energy: -130.923
flat angles P-C4'-P energy: -90.731
tors. eta vs tors. theta energy: -143.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1629.074160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.074160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.074160 (E_RNA)
where:
Base-Base interactions energy: -1081.852
where: short stacking energy: -490.204
Base-Backbone interact. energy: 0.509
local terms energy: -547.731007
where:
bonds (distance) C4'-P energy: -108.219
bonds (distance) P-C4' energy: -120.392
flat angles C4'-P-C4' energy: -121.606
flat angles P-C4'-P energy: -80.550
tors. eta vs tors. theta energy: -116.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1541.863135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.863135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.863135 (E_RNA)
where:
Base-Base interactions energy: -995.983
where: short stacking energy: -424.769
Base-Backbone interact. energy: -4.654
local terms energy: -541.226340
where:
bonds (distance) C4'-P energy: -117.469
bonds (distance) P-C4' energy: -122.702
flat angles C4'-P-C4' energy: -123.574
flat angles P-C4'-P energy: -78.429
tors. eta vs tors. theta energy: -99.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1382.132370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.132370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.132370 (E_RNA)
where:
Base-Base interactions energy: -892.000
where: short stacking energy: -413.646
Base-Backbone interact. energy: 5.663
local terms energy: -495.795032
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -109.554
flat angles C4'-P-C4' energy: -104.729
flat angles P-C4'-P energy: -88.112
tors. eta vs tors. theta energy: -89.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1197.508742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.508742 (E_RNA)
where:
Base-Base interactions energy: -732.202
where: short stacking energy: -361.128
Base-Backbone interact. energy: -4.332
local terms energy: -460.973973
where:
bonds (distance) C4'-P energy: -97.556
bonds (distance) P-C4' energy: -116.208
flat angles C4'-P-C4' energy: -115.952
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: -79.914
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: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -870.713378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.713378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.713378 (E_RNA)
where:
Base-Base interactions energy: -477.502
where: short stacking energy: -263.664
Base-Backbone interact. energy: -5.421
local terms energy: -387.790126
where:
bonds (distance) C4'-P energy: -107.828
bonds (distance) P-C4' energy: -102.762
flat angles C4'-P-C4' energy: -104.141
flat angles P-C4'-P energy: -57.572
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -669.089739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.089739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.089739 (E_RNA)
where:
Base-Base interactions energy: -325.838
where: short stacking energy: -192.388
Base-Backbone interact. energy: 3.811
local terms energy: -347.062793
where:
bonds (distance) C4'-P energy: -92.869
bonds (distance) P-C4' energy: -117.529
flat angles C4'-P-C4' energy: -98.255
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: 13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -600.288976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.288976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.288976 (E_RNA)
where:
Base-Base interactions energy: -281.421
where: short stacking energy: -171.177
Base-Backbone interact. energy: -2.540
local terms energy: -316.328370
where:
bonds (distance) C4'-P energy: -89.852
bonds (distance) P-C4' energy: -86.283
flat angles C4'-P-C4' energy: -109.521
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: 13.842
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: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2004.421287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.421287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.421287 (E_RNA)
where:
Base-Base interactions energy: -1370.698
where: short stacking energy: -566.898
Base-Backbone interact. energy: 2.304
local terms energy: -636.026483
where:
bonds (distance) C4'-P energy: -130.194
bonds (distance) P-C4' energy: -133.194
flat angles C4'-P-C4' energy: -130.684
flat angles P-C4'-P energy: -91.072
tors. eta vs tors. theta energy: -150.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1925.556766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.556766 (E_RNA)
where:
Base-Base interactions energy: -1282.019
where: short stacking energy: -547.087
Base-Backbone interact. energy: -3.062
local terms energy: -640.475604
where:
bonds (distance) C4'-P energy: -123.113
bonds (distance) P-C4' energy: -134.052
flat angles C4'-P-C4' energy: -137.895
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -155.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1758.984678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.984678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.984678 (E_RNA)
where:
Base-Base interactions energy: -1155.829
where: short stacking energy: -530.273
Base-Backbone interact. energy: -3.717
local terms energy: -599.438037
where:
bonds (distance) C4'-P energy: -124.870
bonds (distance) P-C4' energy: -120.707
flat angles C4'-P-C4' energy: -117.001
flat angles P-C4'-P energy: -85.700
tors. eta vs tors. theta energy: -151.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1680.877585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.877585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.877585 (E_RNA)
where:
Base-Base interactions energy: -1153.342
where: short stacking energy: -492.004
Base-Backbone interact. energy: -1.790
local terms energy: -525.746089
where:
bonds (distance) C4'-P energy: -95.740
bonds (distance) P-C4' energy: -98.468
flat angles C4'-P-C4' energy: -128.296
flat angles P-C4'-P energy: -75.248
tors. eta vs tors. theta energy: -127.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1532.565369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.565369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.565369 (E_RNA)
where:
Base-Base interactions energy: -1015.680
where: short stacking energy: -443.619
Base-Backbone interact. energy: -2.151
local terms energy: -514.735232
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -114.284
flat angles C4'-P-C4' energy: -129.209
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -99.808
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: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1393.880919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.880919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.880919 (E_RNA)
where:
Base-Base interactions energy: -894.047
where: short stacking energy: -406.175
Base-Backbone interact. energy: 1.062
local terms energy: -500.895505
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -98.513
flat angles C4'-P-C4' energy: -124.657
flat angles P-C4'-P energy: -73.740
tors. eta vs tors. theta energy: -96.876
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1179.134168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.134168 (E_RNA)
where:
Base-Base interactions energy: -707.843
where: short stacking energy: -335.708
Base-Backbone interact. energy: 3.042
local terms energy: -474.332893
where:
bonds (distance) C4'-P energy: -123.745
bonds (distance) P-C4' energy: -114.817
flat angles C4'-P-C4' energy: -109.765
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: -71.696
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: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -827.154270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.154270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.154270 (E_RNA)
where:
Base-Base interactions energy: -419.107
where: short stacking energy: -252.241
Base-Backbone interact. energy: 0.787
local terms energy: -408.834416
where:
bonds (distance) C4'-P energy: -105.369
bonds (distance) P-C4' energy: -115.780
flat angles C4'-P-C4' energy: -99.714
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -31.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -646.757221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.757221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.757221 (E_RNA)
where:
Base-Base interactions energy: -297.998
where: short stacking energy: -202.881
Base-Backbone interact. energy: 3.737
local terms energy: -352.495718
where:
bonds (distance) C4'-P energy: -100.809
bonds (distance) P-C4' energy: -109.249
flat angles C4'-P-C4' energy: -94.424
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: 2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -639.276828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.276828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.276828 (E_RNA)
where:
Base-Base interactions energy: -288.962
where: short stacking energy: -195.636
Base-Backbone interact. energy: -0.627
local terms energy: -349.688311
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -97.698
flat angles P-C4'-P energy: -45.430
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1979.002600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.002600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.002600 (E_RNA)
where:
Base-Base interactions energy: -1368.202
where: short stacking energy: -563.650
Base-Backbone interact. energy: -2.109
local terms energy: -608.691671
where:
bonds (distance) C4'-P energy: -121.123
bonds (distance) P-C4' energy: -126.401
flat angles C4'-P-C4' energy: -124.924
flat angles P-C4'-P energy: -83.677
tors. eta vs tors. theta energy: -152.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1948.627663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.627663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.627663 (E_RNA)
where:
Base-Base interactions energy: -1315.978
where: short stacking energy: -548.726
Base-Backbone interact. energy: -1.296
local terms energy: -631.354314
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -143.292
flat angles C4'-P-C4' energy: -137.693
flat angles P-C4'-P energy: -80.525
tors. eta vs tors. theta energy: -149.172
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: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1726.849769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.849769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.849769 (E_RNA)
where:
Base-Base interactions energy: -1132.584
where: short stacking energy: -541.824
Base-Backbone interact. energy: -3.955
local terms energy: -590.311173
where:
bonds (distance) C4'-P energy: -108.777
bonds (distance) P-C4' energy: -113.776
flat angles C4'-P-C4' energy: -136.318
flat angles P-C4'-P energy: -97.563
tors. eta vs tors. theta energy: -133.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1715.573275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.573275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.573275 (E_RNA)
where:
Base-Base interactions energy: -1104.685
where: short stacking energy: -472.576
Base-Backbone interact. energy: -3.648
local terms energy: -607.240325
where:
bonds (distance) C4'-P energy: -136.886
bonds (distance) P-C4' energy: -120.020
flat angles C4'-P-C4' energy: -135.770
flat angles P-C4'-P energy: -82.249
tors. eta vs tors. theta energy: -132.316
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: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1562.361361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.361361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.361361 (E_RNA)
where:
Base-Base interactions energy: -1040.671
where: short stacking energy: -459.000
Base-Backbone interact. energy: -2.859
local terms energy: -518.831504
where:
bonds (distance) C4'-P energy: -107.907
bonds (distance) P-C4' energy: -108.420
flat angles C4'-P-C4' energy: -119.832
flat angles P-C4'-P energy: -77.738
tors. eta vs tors. theta energy: -104.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1412.521034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.521034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.521034 (E_RNA)
where:
Base-Base interactions energy: -890.530
where: short stacking energy: -432.076
Base-Backbone interact. energy: -1.326
local terms energy: -520.665379
where:
bonds (distance) C4'-P energy: -90.422
bonds (distance) P-C4' energy: -129.056
flat angles C4'-P-C4' energy: -130.192
flat angles P-C4'-P energy: -67.180
tors. eta vs tors. theta energy: -103.815
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: 68
Temperature: 1.200000
Total energy: -1139.760009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.760009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.760009 (E_RNA)
where:
Base-Base interactions energy: -659.587
where: short stacking energy: -318.797
Base-Backbone interact. energy: -2.474
local terms energy: -477.699484
where:
bonds (distance) C4'-P energy: -123.640
bonds (distance) P-C4' energy: -117.108
flat angles C4'-P-C4' energy: -101.850
flat angles P-C4'-P energy: -74.469
tors. eta vs tors. theta energy: -60.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -752.560110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.560110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.560110 (E_RNA)
where:
Base-Base interactions energy: -390.356
where: short stacking energy: -232.851
Base-Backbone interact. energy: -0.704
local terms energy: -361.500489
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -122.347
flat angles C4'-P-C4' energy: -81.136
flat angles P-C4'-P energy: -57.132
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -687.452963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.452963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.452963 (E_RNA)
where:
Base-Base interactions energy: -329.771
where: short stacking energy: -185.554
Base-Backbone interact. energy: -1.715
local terms energy: -355.966697
where:
bonds (distance) C4'-P energy: -99.535
bonds (distance) P-C4' energy: -110.178
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -54.891
tors. eta vs tors. theta energy: 5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -635.204002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.204002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.204002 (E_RNA)
where:
Base-Base interactions energy: -297.689
where: short stacking energy: -195.302
Base-Backbone interact. energy: 4.911
local terms energy: -342.426460
where:
bonds (distance) C4'-P energy: -104.378
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -84.118
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2010.123808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.123808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.123808 (E_RNA)
where:
Base-Base interactions energy: -1375.815
where: short stacking energy: -542.016
Base-Backbone interact. energy: 2.511
local terms energy: -636.819558
where:
bonds (distance) C4'-P energy: -122.134
bonds (distance) P-C4' energy: -135.959
flat angles C4'-P-C4' energy: -141.326
flat angles P-C4'-P energy: -96.574
tors. eta vs tors. theta energy: -140.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1964.551711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.551711 (E_RNA)
where:
Base-Base interactions energy: -1335.428
where: short stacking energy: -548.529
Base-Backbone interact. energy: 5.568
local terms energy: -634.692573
where:
bonds (distance) C4'-P energy: -134.895
bonds (distance) P-C4' energy: -122.878
flat angles C4'-P-C4' energy: -136.315
flat angles P-C4'-P energy: -87.648
tors. eta vs tors. theta energy: -152.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1772.061759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.061759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.061759 (E_RNA)
where:
Base-Base interactions energy: -1173.259
where: short stacking energy: -537.442
Base-Backbone interact. energy: -7.581
local terms energy: -591.221773
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -114.205
flat angles C4'-P-C4' energy: -135.361
flat angles P-C4'-P energy: -84.124
tors. eta vs tors. theta energy: -155.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1663.604197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.604197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.604197 (E_RNA)
where:
Base-Base interactions energy: -1082.518
where: short stacking energy: -485.253
Base-Backbone interact. energy: -0.197
local terms energy: -580.888391
where:
bonds (distance) C4'-P energy: -131.540
bonds (distance) P-C4' energy: -111.179
flat angles C4'-P-C4' energy: -129.831
flat angles P-C4'-P energy: -74.564
tors. eta vs tors. theta energy: -133.774
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: 69
Temperature: 1.100000
Total energy: -1609.873926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.873926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.873926 (E_RNA)
where:
Base-Base interactions energy: -1068.730
where: short stacking energy: -473.372
Base-Backbone interact. energy: -1.146
local terms energy: -539.997669
where:
bonds (distance) C4'-P energy: -112.139
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -121.624
flat angles P-C4'-P energy: -85.233
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: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1405.381664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.381664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.381664 (E_RNA)
where:
Base-Base interactions energy: -900.961
where: short stacking energy: -421.458
Base-Backbone interact. energy: 2.782
local terms energy: -507.202426
where:
bonds (distance) C4'-P energy: -115.652
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -120.543
flat angles P-C4'-P energy: -76.771
tors. eta vs tors. theta energy: -89.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1193.355001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.355001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.355001 (E_RNA)
where:
Base-Base interactions energy: -715.634
where: short stacking energy: -328.647
Base-Backbone interact. energy: 0.597
local terms energy: -478.318216
where:
bonds (distance) C4'-P energy: -101.025
bonds (distance) P-C4' energy: -131.394
flat angles C4'-P-C4' energy: -115.994
flat angles P-C4'-P energy: -63.391
tors. eta vs tors. theta energy: -66.514
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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -810.264580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.264580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.264580 (E_RNA)
where:
Base-Base interactions energy: -417.987
where: short stacking energy: -249.794
Base-Backbone interact. energy: -2.654
local terms energy: -389.622898
where:
bonds (distance) C4'-P energy: -99.298
bonds (distance) P-C4' energy: -103.099
flat angles C4'-P-C4' energy: -98.280
flat angles P-C4'-P energy: -54.127
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -705.574336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.574336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.574336 (E_RNA)
where:
Base-Base interactions energy: -304.265
where: short stacking energy: -198.746
Base-Backbone interact. energy: 1.331
local terms energy: -402.640600
where:
bonds (distance) C4'-P energy: -109.977
bonds (distance) P-C4' energy: -110.936
flat angles C4'-P-C4' energy: -108.292
flat angles P-C4'-P energy: -67.477
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -569.595889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.595889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.595889 (E_RNA)
where:
Base-Base interactions energy: -278.326
where: short stacking energy: -162.142
Base-Backbone interact. energy: -0.363
local terms energy: -290.906279
where:
bonds (distance) C4'-P energy: -81.061
bonds (distance) P-C4' energy: -100.916
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: 28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1987.312430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.312430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.312430 (E_RNA)
where:
Base-Base interactions energy: -1360.858
where: short stacking energy: -573.644
Base-Backbone interact. energy: -2.813
local terms energy: -623.641893
where:
bonds (distance) C4'-P energy: -121.093
bonds (distance) P-C4' energy: -131.695
flat angles C4'-P-C4' energy: -132.806
flat angles P-C4'-P energy: -91.056
tors. eta vs tors. theta energy: -146.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1959.800921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.800921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.800921 (E_RNA)
where:
Base-Base interactions energy: -1320.117
where: short stacking energy: -544.611
Base-Backbone interact. energy: -3.400
local terms energy: -636.283896
where:
bonds (distance) C4'-P energy: -117.241
bonds (distance) P-C4' energy: -131.894
flat angles C4'-P-C4' energy: -135.884
flat angles P-C4'-P energy: -87.806
tors. eta vs tors. theta energy: -163.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1776.687084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.687084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.687084 (E_RNA)
where:
Base-Base interactions energy: -1160.241
where: short stacking energy: -533.424
Base-Backbone interact. energy: -3.809
local terms energy: -612.636312
where:
bonds (distance) C4'-P energy: -125.724
bonds (distance) P-C4' energy: -123.538
flat angles C4'-P-C4' energy: -123.026
flat angles P-C4'-P energy: -96.267
tors. eta vs tors. theta energy: -144.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1707.603338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.603338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.603338 (E_RNA)
where:
Base-Base interactions energy: -1099.133
where: short stacking energy: -512.114
Base-Backbone interact. energy: -3.345
local terms energy: -605.125483
where:
bonds (distance) C4'-P energy: -118.943
bonds (distance) P-C4' energy: -114.903
flat angles C4'-P-C4' energy: -147.644
flat angles P-C4'-P energy: -79.023
tors. eta vs tors. theta energy: -144.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1640.743956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.743956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.743956 (E_RNA)
where:
Base-Base interactions energy: -1098.552
where: short stacking energy: -474.126
Base-Backbone interact. energy: -1.819
local terms energy: -540.373711
where:
bonds (distance) C4'-P energy: -97.624
bonds (distance) P-C4' energy: -113.118
flat angles C4'-P-C4' energy: -125.391
flat angles P-C4'-P energy: -84.725
tors. eta vs tors. theta energy: -119.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1471.558978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.558978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.558978 (E_RNA)
where:
Base-Base interactions energy: -964.821
where: short stacking energy: -447.673
Base-Backbone interact. energy: -0.633
local terms energy: -506.105569
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -120.376
flat angles P-C4'-P energy: -74.888
tors. eta vs tors. theta energy: -101.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1153.636319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.636319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.636319 (E_RNA)
where:
Base-Base interactions energy: -707.363
where: short stacking energy: -342.326
Base-Backbone interact. energy: 2.287
local terms energy: -448.559775
where:
bonds (distance) C4'-P energy: -102.095
bonds (distance) P-C4' energy: -104.336
flat angles C4'-P-C4' energy: -95.854
flat angles P-C4'-P energy: -80.103
tors. eta vs tors. theta energy: -66.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -842.505799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.505799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.505799 (E_RNA)
where:
Base-Base interactions energy: -470.096
where: short stacking energy: -258.249
Base-Backbone interact. energy: -2.647
local terms energy: -369.762751
where:
bonds (distance) C4'-P energy: -105.804
bonds (distance) P-C4' energy: -95.173
flat angles C4'-P-C4' energy: -97.211
flat angles P-C4'-P energy: -54.413
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: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -660.220245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.220245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.220245 (E_RNA)
where:
Base-Base interactions energy: -282.364
where: short stacking energy: -172.743
Base-Backbone interact. energy: -4.235
local terms energy: -373.621431
where:
bonds (distance) C4'-P energy: -108.045
bonds (distance) P-C4' energy: -100.666
flat angles C4'-P-C4' energy: -99.960
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -553.109665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.109665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.109665 (E_RNA)
where:
Base-Base interactions energy: -223.470
where: short stacking energy: -163.606
Base-Backbone interact. energy: 2.504
local terms energy: -332.143621
where:
bonds (distance) C4'-P energy: -105.076
bonds (distance) P-C4' energy: -104.602
flat angles C4'-P-C4' energy: -96.770
flat angles P-C4'-P energy: -40.968
tors. eta vs tors. theta energy: 15.273
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: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1988.830045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.830045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.830045 (E_RNA)
where:
Base-Base interactions energy: -1358.707
where: short stacking energy: -572.034
Base-Backbone interact. energy: -3.990
local terms energy: -626.132667
where:
bonds (distance) C4'-P energy: -125.955
bonds (distance) P-C4' energy: -124.453
flat angles C4'-P-C4' energy: -140.048
flat angles P-C4'-P energy: -85.644
tors. eta vs tors. theta energy: -150.032
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: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1973.522817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.522817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.522817 (E_RNA)
where:
Base-Base interactions energy: -1326.075
where: short stacking energy: -587.197
Base-Backbone interact. energy: -4.550
local terms energy: -642.898084
where:
bonds (distance) C4'-P energy: -131.414
bonds (distance) P-C4' energy: -124.955
flat angles C4'-P-C4' energy: -133.469
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -168.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1732.705649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.705649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.705649 (E_RNA)
where:
Base-Base interactions energy: -1152.720
where: short stacking energy: -526.891
Base-Backbone interact. energy: -1.511
local terms energy: -578.473963
where:
bonds (distance) C4'-P energy: -109.965
bonds (distance) P-C4' energy: -127.892
flat angles C4'-P-C4' energy: -131.274
flat angles P-C4'-P energy: -85.714
tors. eta vs tors. theta energy: -123.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1721.127631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.127631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.127631 (E_RNA)
where:
Base-Base interactions energy: -1145.840
where: short stacking energy: -537.483
Base-Backbone interact. energy: -3.190
local terms energy: -572.097062
where:
bonds (distance) C4'-P energy: -121.208
bonds (distance) P-C4' energy: -106.238
flat angles C4'-P-C4' energy: -123.466
flat angles P-C4'-P energy: -79.235
tors. eta vs tors. theta energy: -141.951
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: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1628.371145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.371145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.371145 (E_RNA)
where:
Base-Base interactions energy: -1115.558
where: short stacking energy: -475.174
Base-Backbone interact. energy: -1.916
local terms energy: -510.896913
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -117.193
flat angles C4'-P-C4' energy: -113.821
flat angles P-C4'-P energy: -75.877
tors. eta vs tors. theta energy: -100.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1458.663386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.663386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.663386 (E_RNA)
where:
Base-Base interactions energy: -944.947
where: short stacking energy: -461.952
Base-Backbone interact. energy: -0.156
local terms energy: -513.559610
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -103.894
flat angles C4'-P-C4' energy: -130.525
flat angles P-C4'-P energy: -59.820
tors. eta vs tors. theta energy: -109.258
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1219.495153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.495153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.495153 (E_RNA)
where:
Base-Base interactions energy: -733.636
where: short stacking energy: -361.655
Base-Backbone interact. energy: 0.028
local terms energy: -485.887975
where:
bonds (distance) C4'-P energy: -112.463
bonds (distance) P-C4' energy: -113.006
flat angles C4'-P-C4' energy: -110.293
flat angles P-C4'-P energy: -64.150
tors. eta vs tors. theta energy: -85.977
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: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -935.986019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.986019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.986019 (E_RNA)
where:
Base-Base interactions energy: -535.053
where: short stacking energy: -275.663
Base-Backbone interact. energy: -3.554
local terms energy: -397.378903
where:
bonds (distance) C4'-P energy: -111.313
bonds (distance) P-C4' energy: -87.387
flat angles C4'-P-C4' energy: -94.625
flat angles P-C4'-P energy: -65.174
tors. eta vs tors. theta energy: -38.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -669.417596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.417596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.417596 (E_RNA)
where:
Base-Base interactions energy: -314.017
where: short stacking energy: -175.238
Base-Backbone interact. energy: -2.180
local terms energy: -353.220705
where:
bonds (distance) C4'-P energy: -99.610
bonds (distance) P-C4' energy: -105.534
flat angles C4'-P-C4' energy: -81.651
flat angles P-C4'-P energy: -69.859
tors. eta vs tors. theta energy: 3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -587.109481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.109481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.109481 (E_RNA)
where:
Base-Base interactions energy: -237.723
where: short stacking energy: -166.538
Base-Backbone interact. energy: -1.922
local terms energy: -347.464827
where:
bonds (distance) C4'-P energy: -91.380
bonds (distance) P-C4' energy: -109.930
flat angles C4'-P-C4' energy: -101.096
flat angles P-C4'-P energy: -56.277
tors. eta vs tors. theta energy: 11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2004.283408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.283408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.283408 (E_RNA)
where:
Base-Base interactions energy: -1356.656
where: short stacking energy: -554.559
Base-Backbone interact. energy: -0.628
local terms energy: -646.999297
where:
bonds (distance) C4'-P energy: -114.878
bonds (distance) P-C4' energy: -140.500
flat angles C4'-P-C4' energy: -136.100
flat angles P-C4'-P energy: -87.864
tors. eta vs tors. theta energy: -167.657
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: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1906.060294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.060294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.060294 (E_RNA)
where:
Base-Base interactions energy: -1307.779
where: short stacking energy: -527.022
Base-Backbone interact. energy: -3.121
local terms energy: -595.160299
where:
bonds (distance) C4'-P energy: -126.426
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -127.224
flat angles P-C4'-P energy: -83.928
tors. eta vs tors. theta energy: -133.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1757.059207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.059207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.059207 (E_RNA)
where:
Base-Base interactions energy: -1156.601
where: short stacking energy: -521.216
Base-Backbone interact. energy: -1.648
local terms energy: -598.809824
where:
bonds (distance) C4'-P energy: -124.438
bonds (distance) P-C4' energy: -127.428
flat angles C4'-P-C4' energy: -127.262
flat angles P-C4'-P energy: -75.087
tors. eta vs tors. theta energy: -144.595
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: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1710.238167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.238167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.238167 (E_RNA)
where:
Base-Base interactions energy: -1150.530
where: short stacking energy: -525.809
Base-Backbone interact. energy: -1.840
local terms energy: -557.868382
where:
bonds (distance) C4'-P energy: -107.320
bonds (distance) P-C4' energy: -115.178
flat angles C4'-P-C4' energy: -131.728
flat angles P-C4'-P energy: -80.835
tors. eta vs tors. theta energy: -122.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1620.528415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.528415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.528415 (E_RNA)
where:
Base-Base interactions energy: -1088.096
where: short stacking energy: -442.727
Base-Backbone interact. energy: -3.568
local terms energy: -528.864955
where:
bonds (distance) C4'-P energy: -114.888
bonds (distance) P-C4' energy: -109.250
flat angles C4'-P-C4' energy: -129.735
flat angles P-C4'-P energy: -74.515
tors. eta vs tors. theta energy: -100.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1444.231594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.231594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.231594 (E_RNA)
where:
Base-Base interactions energy: -921.139
where: short stacking energy: -427.518
Base-Backbone interact. energy: 1.058
local terms energy: -524.149876
where:
bonds (distance) C4'-P energy: -109.046
bonds (distance) P-C4' energy: -129.029
flat angles C4'-P-C4' energy: -116.726
flat angles P-C4'-P energy: -79.428
tors. eta vs tors. theta energy: -89.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1133.839287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.839287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.839287 (E_RNA)
where:
Base-Base interactions energy: -679.085
where: short stacking energy: -319.677
Base-Backbone interact. energy: -3.252
local terms energy: -451.502769
where:
bonds (distance) C4'-P energy: -101.949
bonds (distance) P-C4' energy: -107.417
flat angles C4'-P-C4' energy: -128.517
flat angles P-C4'-P energy: -69.249
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -876.178295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.178295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.178295 (E_RNA)
where:
Base-Base interactions energy: -468.694
where: short stacking energy: -250.130
Base-Backbone interact. energy: -2.523
local terms energy: -404.961213
where:
bonds (distance) C4'-P energy: -98.328
bonds (distance) P-C4' energy: -112.619
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -70.560
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -653.117968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.117968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.117968 (E_RNA)
where:
Base-Base interactions energy: -293.408
where: short stacking energy: -164.536
Base-Backbone interact. energy: 1.183
local terms energy: -360.892239
where:
bonds (distance) C4'-P energy: -107.813
bonds (distance) P-C4' energy: -119.487
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: 8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -587.901443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.901443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.901443 (E_RNA)
where:
Base-Base interactions energy: -256.496
where: short stacking energy: -157.432
Base-Backbone interact. energy: 5.698
local terms energy: -337.103005
where:
bonds (distance) C4'-P energy: -104.763
bonds (distance) P-C4' energy: -110.325
flat angles C4'-P-C4' energy: -78.878
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: 4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1997.886024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.886024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.886024 (E_RNA)
where:
Base-Base interactions energy: -1339.571
where: short stacking energy: -582.929
Base-Backbone interact. energy: -1.012
local terms energy: -657.302726
where:
bonds (distance) C4'-P energy: -136.276
bonds (distance) P-C4' energy: -118.117
flat angles C4'-P-C4' energy: -147.390
flat angles P-C4'-P energy: -87.395
tors. eta vs tors. theta energy: -168.126
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1922.641374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.641374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.641374 (E_RNA)
where:
Base-Base interactions energy: -1324.572
where: short stacking energy: -569.775
Base-Backbone interact. energy: -3.823
local terms energy: -594.246282
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -123.732
flat angles C4'-P-C4' energy: -128.671
flat angles P-C4'-P energy: -80.985
tors. eta vs tors. theta energy: -139.484
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: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1686.051466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.051466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.051466 (E_RNA)
where:
Base-Base interactions energy: -1089.325
where: short stacking energy: -519.455
Base-Backbone interact. energy: -2.981
local terms energy: -593.745100
where:
bonds (distance) C4'-P energy: -120.494
bonds (distance) P-C4' energy: -111.194
flat angles C4'-P-C4' energy: -138.328
flat angles P-C4'-P energy: -86.086
tors. eta vs tors. theta energy: -137.642
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1720.029562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.029562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.029562 (E_RNA)
where:
Base-Base interactions energy: -1158.259
where: short stacking energy: -484.388
Base-Backbone interact. energy: -3.169
local terms energy: -558.602039
where:
bonds (distance) C4'-P energy: -110.406
bonds (distance) P-C4' energy: -122.097
flat angles C4'-P-C4' energy: -128.419
flat angles P-C4'-P energy: -82.464
tors. eta vs tors. theta energy: -115.217
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: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1663.494267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.494267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.494267 (E_RNA)
where:
Base-Base interactions energy: -1102.613
where: short stacking energy: -470.435
Base-Backbone interact. energy: -7.177
local terms energy: -553.703924
where:
bonds (distance) C4'-P energy: -119.072
bonds (distance) P-C4' energy: -108.885
flat angles C4'-P-C4' energy: -119.971
flat angles P-C4'-P energy: -84.548
tors. eta vs tors. theta energy: -121.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1411.995662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.995662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.995662 (E_RNA)
where:
Base-Base interactions energy: -911.728
where: short stacking energy: -419.807
Base-Backbone interact. energy: -2.831
local terms energy: -497.436902
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -115.053
flat angles C4'-P-C4' energy: -122.531
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -88.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1125.644679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.644679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.644679 (E_RNA)
where:
Base-Base interactions energy: -684.292
where: short stacking energy: -333.772
Base-Backbone interact. energy: -1.868
local terms energy: -439.484630
where:
bonds (distance) C4'-P energy: -98.555
bonds (distance) P-C4' energy: -114.580
flat angles C4'-P-C4' energy: -110.993
flat angles P-C4'-P energy: -57.519
tors. eta vs tors. theta energy: -57.838
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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -847.622291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.622291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.622291 (E_RNA)
where:
Base-Base interactions energy: -486.362
where: short stacking energy: -242.231
Base-Backbone interact. energy: -0.322
local terms energy: -360.938052
where:
bonds (distance) C4'-P energy: -87.356
bonds (distance) P-C4' energy: -99.222
flat angles C4'-P-C4' energy: -86.791
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -618.955646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.955646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.955646 (E_RNA)
where:
Base-Base interactions energy: -279.845
where: short stacking energy: -181.119
Base-Backbone interact. energy: -0.844
local terms energy: -338.266812
where:
bonds (distance) C4'-P energy: -112.728
bonds (distance) P-C4' energy: -110.689
flat angles C4'-P-C4' energy: -77.743
flat angles P-C4'-P energy: -51.537
tors. eta vs tors. theta energy: 14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -559.786116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.786116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.786116 (E_RNA)
where:
Base-Base interactions energy: -244.411
where: short stacking energy: -161.077
Base-Backbone interact. energy: 0.793
local terms energy: -316.168474
where:
bonds (distance) C4'-P energy: -85.601
bonds (distance) P-C4' energy: -109.249
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -46.210
tors. eta vs tors. theta energy: 7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2046.999829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.999829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.999829 (E_RNA)
where:
Base-Base interactions energy: -1389.960
where: short stacking energy: -592.154
Base-Backbone interact. energy: -3.565
local terms energy: -653.474527
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -137.071
flat angles C4'-P-C4' energy: -132.935
flat angles P-C4'-P energy: -93.427
tors. eta vs tors. theta energy: -170.663
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: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1904.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.834194 (E_RNA)
where:
Base-Base interactions energy: -1308.132
where: short stacking energy: -547.467
Base-Backbone interact. energy: 0.956
local terms energy: -597.658012
where:
bonds (distance) C4'-P energy: -125.765
bonds (distance) P-C4' energy: -120.682
flat angles C4'-P-C4' energy: -127.600
flat angles P-C4'-P energy: -78.307
tors. eta vs tors. theta energy: -145.303
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: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1778.013967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.013967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.013967 (E_RNA)
where:
Base-Base interactions energy: -1187.641
where: short stacking energy: -532.654
Base-Backbone interact. energy: -1.969
local terms energy: -588.404032
where:
bonds (distance) C4'-P energy: -114.034
bonds (distance) P-C4' energy: -123.274
flat angles C4'-P-C4' energy: -140.328
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -132.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1638.072916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.072916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.072916 (E_RNA)
where:
Base-Base interactions energy: -1065.209
where: short stacking energy: -512.499
Base-Backbone interact. energy: -0.523
local terms energy: -572.340336
where:
bonds (distance) C4'-P energy: -116.635
bonds (distance) P-C4' energy: -114.653
flat angles C4'-P-C4' energy: -128.448
flat angles P-C4'-P energy: -83.361
tors. eta vs tors. theta energy: -129.243
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1574.482227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.482227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.482227 (E_RNA)
where:
Base-Base interactions energy: -1008.515
where: short stacking energy: -444.237
Base-Backbone interact. energy: -3.351
local terms energy: -562.616000
where:
bonds (distance) C4'-P energy: -113.363
bonds (distance) P-C4' energy: -124.236
flat angles C4'-P-C4' energy: -134.357
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: -113.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1402.930015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.930015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.930015 (E_RNA)
where:
Base-Base interactions energy: -913.416
where: short stacking energy: -402.961
Base-Backbone interact. energy: -1.880
local terms energy: -487.634467
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -71.700
tors. eta vs tors. theta energy: -83.273
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: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1188.848837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.848837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.848837 (E_RNA)
where:
Base-Base interactions energy: -717.672
where: short stacking energy: -348.092
Base-Backbone interact. energy: -1.591
local terms energy: -469.585433
where:
bonds (distance) C4'-P energy: -104.549
bonds (distance) P-C4' energy: -112.130
flat angles C4'-P-C4' energy: -110.629
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -71.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -919.079977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.079977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.079977 (E_RNA)
where:
Base-Base interactions energy: -522.741
where: short stacking energy: -270.082
Base-Backbone interact. energy: -5.669
local terms energy: -390.670218
where:
bonds (distance) C4'-P energy: -107.559
bonds (distance) P-C4' energy: -104.944
flat angles C4'-P-C4' energy: -95.979
flat angles P-C4'-P energy: -57.820
tors. eta vs tors. theta energy: -24.368
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -637.111251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.111251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.111251 (E_RNA)
where:
Base-Base interactions energy: -294.761
where: short stacking energy: -183.788
Base-Backbone interact. energy: 1.919
local terms energy: -344.269735
where:
bonds (distance) C4'-P energy: -103.020
bonds (distance) P-C4' energy: -103.914
flat angles C4'-P-C4' energy: -91.195
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: 9.606
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -589.101304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.101304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.101304 (E_RNA)
where:
Base-Base interactions energy: -260.988
where: short stacking energy: -161.073
Base-Backbone interact. energy: 10.155
local terms energy: -338.267702
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -107.189
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -69.070
tors. eta vs tors. theta energy: 19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2043.985719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.985719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.985719 (E_RNA)
where:
Base-Base interactions energy: -1348.158
where: short stacking energy: -587.001
Base-Backbone interact. energy: -0.546
local terms energy: -695.281857
where:
bonds (distance) C4'-P energy: -129.082
bonds (distance) P-C4' energy: -141.652
flat angles C4'-P-C4' energy: -146.889
flat angles P-C4'-P energy: -98.060
tors. eta vs tors. theta energy: -179.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1895.771692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.771692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.771692 (E_RNA)
where:
Base-Base interactions energy: -1275.440
where: short stacking energy: -538.506
Base-Backbone interact. energy: -2.357
local terms energy: -617.974745
where:
bonds (distance) C4'-P energy: -122.880
bonds (distance) P-C4' energy: -126.765
flat angles C4'-P-C4' energy: -138.313
flat angles P-C4'-P energy: -88.682
tors. eta vs tors. theta energy: -141.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1728.512398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.512398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.512398 (E_RNA)
where:
Base-Base interactions energy: -1133.385
where: short stacking energy: -504.334
Base-Backbone interact. energy: 3.571
local terms energy: -598.697641
where:
bonds (distance) C4'-P energy: -125.448
bonds (distance) P-C4' energy: -129.389
flat angles C4'-P-C4' energy: -123.495
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -125.963
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: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1682.918795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.918795 (E_RNA)
where:
Base-Base interactions energy: -1090.123
where: short stacking energy: -508.386
Base-Backbone interact. energy: -4.615
local terms energy: -588.180133
where:
bonds (distance) C4'-P energy: -116.409
bonds (distance) P-C4' energy: -120.978
flat angles C4'-P-C4' energy: -130.590
flat angles P-C4'-P energy: -90.785
tors. eta vs tors. theta energy: -129.418
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1619.880225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.880225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.880225 (E_RNA)
where:
Base-Base interactions energy: -1058.430
where: short stacking energy: -473.614
Base-Backbone interact. energy: -3.856
local terms energy: -557.594099
where:
bonds (distance) C4'-P energy: -119.289
bonds (distance) P-C4' energy: -111.367
flat angles C4'-P-C4' energy: -124.470
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -127.391
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: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1383.125273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.125273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.125273 (E_RNA)
where:
Base-Base interactions energy: -893.203
where: short stacking energy: -373.869
Base-Backbone interact. energy: -3.608
local terms energy: -486.314524
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -118.395
flat angles C4'-P-C4' energy: -115.708
flat angles P-C4'-P energy: -70.301
tors. eta vs tors. theta energy: -68.276
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1212.704725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.704725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.704725 (E_RNA)
where:
Base-Base interactions energy: -732.873
where: short stacking energy: -341.630
Base-Backbone interact. energy: -3.097
local terms energy: -476.734596
where:
bonds (distance) C4'-P energy: -111.532
bonds (distance) P-C4' energy: -113.848
flat angles C4'-P-C4' energy: -112.445
flat angles P-C4'-P energy: -62.005
tors. eta vs tors. theta energy: -76.904
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: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -944.312521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.312521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.312521 (E_RNA)
where:
Base-Base interactions energy: -550.175
where: short stacking energy: -261.465
Base-Backbone interact. energy: 0.049
local terms energy: -394.186912
where:
bonds (distance) C4'-P energy: -111.334
bonds (distance) P-C4' energy: -97.776
flat angles C4'-P-C4' energy: -105.351
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -682.447085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.447085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.447085 (E_RNA)
where:
Base-Base interactions energy: -321.845
where: short stacking energy: -191.046
Base-Backbone interact. energy: -3.046
local terms energy: -357.556030
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -101.630
flat angles C4'-P-C4' energy: -95.673
flat angles P-C4'-P energy: -58.758
tors. eta vs tors. theta energy: 0.696
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -633.372561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.372561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.372561 (E_RNA)
where:
Base-Base interactions energy: -284.483
where: short stacking energy: -158.628
Base-Backbone interact. energy: 3.998
local terms energy: -352.887366
where:
bonds (distance) C4'-P energy: -105.585
bonds (distance) P-C4' energy: -103.847
flat angles C4'-P-C4' energy: -88.288
flat angles P-C4'-P energy: -62.408
tors. eta vs tors. theta energy: 7.240
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: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2035.199743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.199743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.199743 (E_RNA)
where:
Base-Base interactions energy: -1371.536
where: short stacking energy: -588.256
Base-Backbone interact. energy: -2.188
local terms energy: -661.475722
where:
bonds (distance) C4'-P energy: -131.720
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -141.694
flat angles P-C4'-P energy: -94.359
tors. eta vs tors. theta energy: -167.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1916.010632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.010632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.010632 (E_RNA)
where:
Base-Base interactions energy: -1292.886
where: short stacking energy: -554.967
Base-Backbone interact. energy: -3.534
local terms energy: -619.591006
where:
bonds (distance) C4'-P energy: -122.613
bonds (distance) P-C4' energy: -121.201
flat angles C4'-P-C4' energy: -136.481
flat angles P-C4'-P energy: -91.223
tors. eta vs tors. theta energy: -148.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1759.388379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.388379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.388379 (E_RNA)
where:
Base-Base interactions energy: -1178.510
where: short stacking energy: -515.148
Base-Backbone interact. energy: -4.596
local terms energy: -576.282057
where:
bonds (distance) C4'-P energy: -117.469
bonds (distance) P-C4' energy: -129.394
flat angles C4'-P-C4' energy: -121.009
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -126.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1679.276159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.276159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.276159 (E_RNA)
where:
Base-Base interactions energy: -1103.481
where: short stacking energy: -521.219
Base-Backbone interact. energy: -0.734
local terms energy: -575.061629
where:
bonds (distance) C4'-P energy: -110.639
bonds (distance) P-C4' energy: -114.945
flat angles C4'-P-C4' energy: -117.066
flat angles P-C4'-P energy: -87.571
tors. eta vs tors. theta energy: -144.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1603.605704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.605704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.605704 (E_RNA)
where:
Base-Base interactions energy: -1047.329
where: short stacking energy: -478.094
Base-Backbone interact. energy: 0.567
local terms energy: -556.843644
where:
bonds (distance) C4'-P energy: -119.848
bonds (distance) P-C4' energy: -111.694
flat angles C4'-P-C4' energy: -120.861
flat angles P-C4'-P energy: -86.999
tors. eta vs tors. theta energy: -117.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1392.935376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.935376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.935376 (E_RNA)
where:
Base-Base interactions energy: -875.805
where: short stacking energy: -391.666
Base-Backbone interact. energy: 3.226
local terms energy: -520.356267
where:
bonds (distance) C4'-P energy: -113.789
bonds (distance) P-C4' energy: -108.556
flat angles C4'-P-C4' energy: -108.713
flat angles P-C4'-P energy: -89.796
tors. eta vs tors. theta energy: -99.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1200.870239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.870239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.870239 (E_RNA)
where:
Base-Base interactions energy: -741.595
where: short stacking energy: -382.098
Base-Backbone interact. energy: 4.763
local terms energy: -464.038045
where:
bonds (distance) C4'-P energy: -90.049
bonds (distance) P-C4' energy: -115.240
flat angles C4'-P-C4' energy: -97.151
flat angles P-C4'-P energy: -85.906
tors. eta vs tors. theta energy: -75.692
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: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -995.745320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.745320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.745320 (E_RNA)
where:
Base-Base interactions energy: -605.445
where: short stacking energy: -322.576
Base-Backbone interact. energy: 1.926
local terms energy: -392.226327
where:
bonds (distance) C4'-P energy: -98.974
bonds (distance) P-C4' energy: -114.169
flat angles C4'-P-C4' energy: -86.490
flat angles P-C4'-P energy: -47.064
tors. eta vs tors. theta energy: -45.529
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: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -618.790595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.790595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.790595 (E_RNA)
where:
Base-Base interactions energy: -264.042
where: short stacking energy: -183.519
Base-Backbone interact. energy: 0.901
local terms energy: -355.649837
where:
bonds (distance) C4'-P energy: -113.581
bonds (distance) P-C4' energy: -110.018
flat angles C4'-P-C4' energy: -84.405
flat angles P-C4'-P energy: -63.357
tors. eta vs tors. theta energy: 15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -631.955551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.955551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.955551 (E_RNA)
where:
Base-Base interactions energy: -296.872
where: short stacking energy: -187.653
Base-Backbone interact. energy: -0.732
local terms energy: -334.352188
where:
bonds (distance) C4'-P energy: -97.113
bonds (distance) P-C4' energy: -114.384
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: 1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2042.561242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.561242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.561242 (E_RNA)
where:
Base-Base interactions energy: -1396.709
where: short stacking energy: -562.612
Base-Backbone interact. energy: 1.538
local terms energy: -647.390684
where:
bonds (distance) C4'-P energy: -133.574
bonds (distance) P-C4' energy: -132.986
flat angles C4'-P-C4' energy: -141.110
flat angles P-C4'-P energy: -80.356
tors. eta vs tors. theta energy: -159.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1912.132993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.132993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.132993 (E_RNA)
where:
Base-Base interactions energy: -1295.819
where: short stacking energy: -548.338
Base-Backbone interact. energy: -4.253
local terms energy: -612.060875
where:
bonds (distance) C4'-P energy: -140.489
bonds (distance) P-C4' energy: -111.981
flat angles C4'-P-C4' energy: -130.955
flat angles P-C4'-P energy: -93.905
tors. eta vs tors. theta energy: -134.731
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: 77
Temperature: 1.000000
Total energy: -1759.629238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.629238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.629238 (E_RNA)
where:
Base-Base interactions energy: -1175.466
where: short stacking energy: -517.025
Base-Backbone interact. energy: -2.472
local terms energy: -581.690790
where:
bonds (distance) C4'-P energy: -114.348
bonds (distance) P-C4' energy: -122.626
flat angles C4'-P-C4' energy: -126.815
flat angles P-C4'-P energy: -95.492
tors. eta vs tors. theta energy: -122.410
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: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1672.872348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.872348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.872348 (E_RNA)
where:
Base-Base interactions energy: -1092.324
where: short stacking energy: -507.919
Base-Backbone interact. energy: 1.243
local terms energy: -581.791547
where:
bonds (distance) C4'-P energy: -117.483
bonds (distance) P-C4' energy: -125.983
flat angles C4'-P-C4' energy: -132.211
flat angles P-C4'-P energy: -82.786
tors. eta vs tors. theta energy: -123.328
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: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1571.218626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.218626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.218626 (E_RNA)
where:
Base-Base interactions energy: -995.073
where: short stacking energy: -464.142
Base-Backbone interact. energy: -4.951
local terms energy: -571.195269
where:
bonds (distance) C4'-P energy: -111.621
bonds (distance) P-C4' energy: -108.789
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -96.836
tors. eta vs tors. theta energy: -119.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1453.113629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.113629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.113629 (E_RNA)
where:
Base-Base interactions energy: -934.044
where: short stacking energy: -426.203
Base-Backbone interact. energy: -2.312
local terms energy: -516.758240
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -115.137
flat angles C4'-P-C4' energy: -119.390
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -90.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1145.780305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.780305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.780305 (E_RNA)
where:
Base-Base interactions energy: -708.100
where: short stacking energy: -358.602
Base-Backbone interact. energy: 0.706
local terms energy: -438.386450
where:
bonds (distance) C4'-P energy: -105.973
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -102.503
flat angles P-C4'-P energy: -66.030
tors. eta vs tors. theta energy: -56.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -980.018060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.018060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.018060 (E_RNA)
where:
Base-Base interactions energy: -569.299
where: short stacking energy: -293.932
Base-Backbone interact. energy: -2.887
local terms energy: -407.831812
where:
bonds (distance) C4'-P energy: -110.841
bonds (distance) P-C4' energy: -115.702
flat angles C4'-P-C4' energy: -98.638
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -45.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -664.827559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.827559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.827559 (E_RNA)
where:
Base-Base interactions energy: -300.252
where: short stacking energy: -198.649
Base-Backbone interact. energy: -2.377
local terms energy: -362.198998
where:
bonds (distance) C4'-P energy: -110.975
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -84.273
flat angles P-C4'-P energy: -55.580
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -626.777240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.777240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.777240 (E_RNA)
where:
Base-Base interactions energy: -291.735
where: short stacking energy: -169.173
Base-Backbone interact. energy: -1.539
local terms energy: -333.503252
where:
bonds (distance) C4'-P energy: -108.277
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -98.281
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: 10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2062.808100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.808100 (E_RNA)
where:
Base-Base interactions energy: -1410.958
where: short stacking energy: -591.090
Base-Backbone interact. energy: 0.451
local terms energy: -652.300649
where:
bonds (distance) C4'-P energy: -120.135
bonds (distance) P-C4' energy: -141.556
flat angles C4'-P-C4' energy: -141.929
flat angles P-C4'-P energy: -87.576
tors. eta vs tors. theta energy: -161.105
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: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1936.891530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.891530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.891530 (E_RNA)
where:
Base-Base interactions energy: -1319.728
where: short stacking energy: -550.630
Base-Backbone interact. energy: -6.645
local terms energy: -610.517552
where:
bonds (distance) C4'-P energy: -123.279
bonds (distance) P-C4' energy: -122.712
flat angles C4'-P-C4' energy: -136.370
flat angles P-C4'-P energy: -83.417
tors. eta vs tors. theta energy: -144.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1793.743755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.743755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.743755 (E_RNA)
where:
Base-Base interactions energy: -1223.308
where: short stacking energy: -540.469
Base-Backbone interact. energy: -2.496
local terms energy: -567.939426
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -132.891
flat angles P-C4'-P energy: -86.292
tors. eta vs tors. theta energy: -136.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1662.240929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.240929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.240929 (E_RNA)
where:
Base-Base interactions energy: -1082.895
where: short stacking energy: -500.855
Base-Backbone interact. energy: -1.581
local terms energy: -577.765145
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -129.500
flat angles P-C4'-P energy: -83.450
tors. eta vs tors. theta energy: -131.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1609.628273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.628273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.628273 (E_RNA)
where:
Base-Base interactions energy: -1065.736
where: short stacking energy: -469.861
Base-Backbone interact. energy: 2.113
local terms energy: -546.005328
where:
bonds (distance) C4'-P energy: -112.110
bonds (distance) P-C4' energy: -105.072
flat angles C4'-P-C4' energy: -127.771
flat angles P-C4'-P energy: -91.603
tors. eta vs tors. theta energy: -109.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1461.266304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.266304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.266304 (E_RNA)
where:
Base-Base interactions energy: -984.950
where: short stacking energy: -426.751
Base-Backbone interact. energy: -1.373
local terms energy: -474.943629
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -108.728
flat angles C4'-P-C4' energy: -105.554
flat angles P-C4'-P energy: -77.976
tors. eta vs tors. theta energy: -85.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1136.690322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.690322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.690322 (E_RNA)
where:
Base-Base interactions energy: -677.315
where: short stacking energy: -326.930
Base-Backbone interact. energy: -2.007
local terms energy: -457.368480
where:
bonds (distance) C4'-P energy: -102.038
bonds (distance) P-C4' energy: -106.921
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -69.752
tors. eta vs tors. theta energy: -68.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -871.722605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.722605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.722605 (E_RNA)
where:
Base-Base interactions energy: -469.952
where: short stacking energy: -248.615
Base-Backbone interact. energy: 0.025
local terms energy: -401.795385
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -107.991
flat angles C4'-P-C4' energy: -107.672
flat angles P-C4'-P energy: -53.690
tors. eta vs tors. theta energy: -32.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -638.722290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.722290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.722290 (E_RNA)
where:
Base-Base interactions energy: -293.888
where: short stacking energy: -175.390
Base-Backbone interact. energy: 1.225
local terms energy: -346.059184
where:
bonds (distance) C4'-P energy: -107.457
bonds (distance) P-C4' energy: -112.407
flat angles C4'-P-C4' energy: -93.233
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: 12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -591.264302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.264302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.264302 (E_RNA)
where:
Base-Base interactions energy: -255.711
where: short stacking energy: -159.791
Base-Backbone interact. energy: 0.470
local terms energy: -336.023269
where:
bonds (distance) C4'-P energy: -84.579
bonds (distance) P-C4' energy: -124.215
flat angles C4'-P-C4' energy: -99.500
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2031.843263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.843263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.843263 (E_RNA)
where:
Base-Base interactions energy: -1388.052
where: short stacking energy: -588.396
Base-Backbone interact. energy: -1.478
local terms energy: -642.313140
where:
bonds (distance) C4'-P energy: -117.606
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -139.516
flat angles P-C4'-P energy: -88.157
tors. eta vs tors. theta energy: -169.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1939.158883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.158883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.158883 (E_RNA)
where:
Base-Base interactions energy: -1324.952
where: short stacking energy: -539.039
Base-Backbone interact. energy: -1.475
local terms energy: -612.732288
where:
bonds (distance) C4'-P energy: -119.336
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -136.187
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -146.790
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1795.410564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.410564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.410564 (E_RNA)
where:
Base-Base interactions energy: -1209.608
where: short stacking energy: -507.637
Base-Backbone interact. energy: 1.319
local terms energy: -587.120935
where:
bonds (distance) C4'-P energy: -122.506
bonds (distance) P-C4' energy: -119.553
flat angles C4'-P-C4' energy: -133.483
flat angles P-C4'-P energy: -81.682
tors. eta vs tors. theta energy: -129.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1628.461041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.461041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.461041 (E_RNA)
where:
Base-Base interactions energy: -1036.320
where: short stacking energy: -494.245
Base-Backbone interact. energy: -4.973
local terms energy: -587.167350
where:
bonds (distance) C4'-P energy: -110.626
bonds (distance) P-C4' energy: -128.829
flat angles C4'-P-C4' energy: -122.951
flat angles P-C4'-P energy: -93.042
tors. eta vs tors. theta energy: -131.719
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: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1576.443173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.443173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.443173 (E_RNA)
where:
Base-Base interactions energy: -1044.689
where: short stacking energy: -490.051
Base-Backbone interact. energy: -3.403
local terms energy: -528.351617
where:
bonds (distance) C4'-P energy: -108.288
bonds (distance) P-C4' energy: -113.712
flat angles C4'-P-C4' energy: -132.158
flat angles P-C4'-P energy: -60.837
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: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1511.152724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.152724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.152724 (E_RNA)
where:
Base-Base interactions energy: -983.864
where: short stacking energy: -438.477
Base-Backbone interact. energy: -1.480
local terms energy: -525.809071
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -107.763
flat angles C4'-P-C4' energy: -123.279
flat angles P-C4'-P energy: -79.243
tors. eta vs tors. theta energy: -111.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1162.373949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.373949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.373949 (E_RNA)
where:
Base-Base interactions energy: -725.907
where: short stacking energy: -333.182
Base-Backbone interact. energy: -0.401
local terms energy: -436.065991
where:
bonds (distance) C4'-P energy: -98.085
bonds (distance) P-C4' energy: -111.268
flat angles C4'-P-C4' energy: -108.057
flat angles P-C4'-P energy: -61.473
tors. eta vs tors. theta energy: -57.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -890.546972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.546972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.546972 (E_RNA)
where:
Base-Base interactions energy: -437.463
where: short stacking energy: -240.420
Base-Backbone interact. energy: 2.963
local terms energy: -456.046633
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -131.079
flat angles C4'-P-C4' energy: -113.133
flat angles P-C4'-P energy: -64.242
tors. eta vs tors. theta energy: -27.986
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: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -664.650596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.650596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.650596 (E_RNA)
where:
Base-Base interactions energy: -312.187
where: short stacking energy: -183.371
Base-Backbone interact. energy: -0.082
local terms energy: -352.382046
where:
bonds (distance) C4'-P energy: -100.575
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -101.133
flat angles P-C4'-P energy: -56.590
tors. eta vs tors. theta energy: 11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -587.450523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.450523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.450523 (E_RNA)
where:
Base-Base interactions energy: -274.574
where: short stacking energy: -174.139
Base-Backbone interact. energy: -0.799
local terms energy: -312.078245
where:
bonds (distance) C4'-P energy: -114.804
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -76.386
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: 20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2019.901839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.901839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.901839 (E_RNA)
where:
Base-Base interactions energy: -1345.778
where: short stacking energy: -569.206
Base-Backbone interact. energy: -2.696
local terms energy: -671.427518
where:
bonds (distance) C4'-P energy: -130.207
bonds (distance) P-C4' energy: -129.684
flat angles C4'-P-C4' energy: -145.073
flat angles P-C4'-P energy: -106.463
tors. eta vs tors. theta energy: -160.001
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1934.522211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.522211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.522211 (E_RNA)
where:
Base-Base interactions energy: -1317.961
where: short stacking energy: -541.801
Base-Backbone interact. energy: -4.836
local terms energy: -611.725077
where:
bonds (distance) C4'-P energy: -135.895
bonds (distance) P-C4' energy: -109.832
flat angles C4'-P-C4' energy: -142.763
flat angles P-C4'-P energy: -83.045
tors. eta vs tors. theta energy: -140.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1821.486882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.486882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.486882 (E_RNA)
where:
Base-Base interactions energy: -1223.687
where: short stacking energy: -518.469
Base-Backbone interact. energy: -2.703
local terms energy: -595.096757
where:
bonds (distance) C4'-P energy: -108.196
bonds (distance) P-C4' energy: -123.051
flat angles C4'-P-C4' energy: -140.419
flat angles P-C4'-P energy: -85.159
tors. eta vs tors. theta energy: -138.271
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: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1657.649294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.649294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.649294 (E_RNA)
where:
Base-Base interactions energy: -1104.857
where: short stacking energy: -505.478
Base-Backbone interact. energy: -0.403
local terms energy: -552.388662
where:
bonds (distance) C4'-P energy: -106.081
bonds (distance) P-C4' energy: -114.952
flat angles C4'-P-C4' energy: -120.459
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -132.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1616.100651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.100651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.100651 (E_RNA)
where:
Base-Base interactions energy: -1053.037
where: short stacking energy: -483.994
Base-Backbone interact. energy: -4.049
local terms energy: -559.014979
where:
bonds (distance) C4'-P energy: -120.437
bonds (distance) P-C4' energy: -113.321
flat angles C4'-P-C4' energy: -132.727
flat angles P-C4'-P energy: -77.205
tors. eta vs tors. theta energy: -115.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1451.119298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.119298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.119298 (E_RNA)
where:
Base-Base interactions energy: -937.030
where: short stacking energy: -416.462
Base-Backbone interact. energy: -2.590
local terms energy: -511.498634
where:
bonds (distance) C4'-P energy: -107.023
bonds (distance) P-C4' energy: -110.546
flat angles C4'-P-C4' energy: -123.938
flat angles P-C4'-P energy: -69.204
tors. eta vs tors. theta energy: -100.787
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1114.538948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.538948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.538948 (E_RNA)
where:
Base-Base interactions energy: -672.351
where: short stacking energy: -303.948
Base-Backbone interact. energy: -3.633
local terms energy: -438.554805
where:
bonds (distance) C4'-P energy: -108.391
bonds (distance) P-C4' energy: -112.802
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -73.838
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -915.080168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.080168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.080168 (E_RNA)
where:
Base-Base interactions energy: -493.928
where: short stacking energy: -259.781
Base-Backbone interact. energy: -1.989
local terms energy: -419.163398
where:
bonds (distance) C4'-P energy: -89.192
bonds (distance) P-C4' energy: -123.497
flat angles C4'-P-C4' energy: -100.977
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: -49.636
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: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -697.039716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.039716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.039716 (E_RNA)
where:
Base-Base interactions energy: -360.885
where: short stacking energy: -208.211
Base-Backbone interact. energy: 1.753
local terms energy: -337.907279
where:
bonds (distance) C4'-P energy: -96.378
bonds (distance) P-C4' energy: -114.006
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -3.470
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: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -566.791963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.791963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.791963 (E_RNA)
where:
Base-Base interactions energy: -248.312
where: short stacking energy: -174.866
Base-Backbone interact. energy: 2.276
local terms energy: -320.755656
where:
bonds (distance) C4'-P energy: -91.957
bonds (distance) P-C4' energy: -90.448
flat angles C4'-P-C4' energy: -93.203
flat angles P-C4'-P energy: -45.326
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2036.496318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.496318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.496318 (E_RNA)
where:
Base-Base interactions energy: -1376.691
where: short stacking energy: -568.465
Base-Backbone interact. energy: -5.654
local terms energy: -654.151702
where:
bonds (distance) C4'-P energy: -126.491
bonds (distance) P-C4' energy: -128.637
flat angles C4'-P-C4' energy: -144.505
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -164.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1990.416351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.416351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.416351 (E_RNA)
where:
Base-Base interactions energy: -1363.337
where: short stacking energy: -555.474
Base-Backbone interact. energy: -2.822
local terms energy: -624.257058
where:
bonds (distance) C4'-P energy: -119.752
bonds (distance) P-C4' energy: -125.862
flat angles C4'-P-C4' energy: -141.174
flat angles P-C4'-P energy: -90.665
tors. eta vs tors. theta energy: -146.804
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: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1814.442331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.442331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.442331 (E_RNA)
where:
Base-Base interactions energy: -1236.962
where: short stacking energy: -525.375
Base-Backbone interact. energy: -1.284
local terms energy: -576.196528
where:
bonds (distance) C4'-P energy: -110.927
bonds (distance) P-C4' energy: -120.498
flat angles C4'-P-C4' energy: -134.403
flat angles P-C4'-P energy: -80.659
tors. eta vs tors. theta energy: -129.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1680.376934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.376934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.376934 (E_RNA)
where:
Base-Base interactions energy: -1079.773
where: short stacking energy: -521.663
Base-Backbone interact. energy: -3.336
local terms energy: -597.268217
where:
bonds (distance) C4'-P energy: -96.918
bonds (distance) P-C4' energy: -122.024
flat angles C4'-P-C4' energy: -133.784
flat angles P-C4'-P energy: -90.732
tors. eta vs tors. theta energy: -153.811
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1610.168997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.168997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.168997 (E_RNA)
where:
Base-Base interactions energy: -1053.366
where: short stacking energy: -469.525
Base-Backbone interact. energy: -2.806
local terms energy: -553.996987
where:
bonds (distance) C4'-P energy: -119.072
bonds (distance) P-C4' energy: -121.949
flat angles C4'-P-C4' energy: -124.263
flat angles P-C4'-P energy: -68.845
tors. eta vs tors. theta energy: -119.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1521.207608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.207608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.207608 (E_RNA)
where:
Base-Base interactions energy: -980.973
where: short stacking energy: -436.132
Base-Backbone interact. energy: 2.086
local terms energy: -542.320246
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -124.931
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -94.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1168.613625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.613625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.613625 (E_RNA)
where:
Base-Base interactions energy: -688.447
where: short stacking energy: -331.918
Base-Backbone interact. energy: 2.858
local terms energy: -483.024519
where:
bonds (distance) C4'-P energy: -108.916
bonds (distance) P-C4' energy: -123.394
flat angles C4'-P-C4' energy: -116.752
flat angles P-C4'-P energy: -73.638
tors. eta vs tors. theta energy: -60.324
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: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -880.570041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.570041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.570041 (E_RNA)
where:
Base-Base interactions energy: -479.489
where: short stacking energy: -255.736
Base-Backbone interact. energy: -0.059
local terms energy: -401.021572
where:
bonds (distance) C4'-P energy: -103.532
bonds (distance) P-C4' energy: -92.274
flat angles C4'-P-C4' energy: -105.786
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -656.382397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.382397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.382397 (E_RNA)
where:
Base-Base interactions energy: -288.568
where: short stacking energy: -178.313
Base-Backbone interact. energy: 4.148
local terms energy: -371.962999
where:
bonds (distance) C4'-P energy: -99.071
bonds (distance) P-C4' energy: -112.668
flat angles C4'-P-C4' energy: -101.169
flat angles P-C4'-P energy: -63.278
tors. eta vs tors. theta energy: 4.223
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -582.337153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.337153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.337153 (E_RNA)
where:
Base-Base interactions energy: -237.452
where: short stacking energy: -166.520
Base-Backbone interact. energy: 0.523
local terms energy: -345.408348
where:
bonds (distance) C4'-P energy: -120.413
bonds (distance) P-C4' energy: -110.678
flat angles C4'-P-C4' energy: -82.633
flat angles P-C4'-P energy: -62.033
tors. eta vs tors. theta energy: 30.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2039.875801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.875801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.875801 (E_RNA)
where:
Base-Base interactions energy: -1382.850
where: short stacking energy: -569.291
Base-Backbone interact. energy: -1.793
local terms energy: -655.233286
where:
bonds (distance) C4'-P energy: -135.947
bonds (distance) P-C4' energy: -127.914
flat angles C4'-P-C4' energy: -139.869
flat angles P-C4'-P energy: -88.815
tors. eta vs tors. theta energy: -162.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1958.811543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.811543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.811543 (E_RNA)
where:
Base-Base interactions energy: -1337.385
where: short stacking energy: -521.152
Base-Backbone interact. energy: 0.147
local terms energy: -621.573193
where:
bonds (distance) C4'-P energy: -112.253
bonds (distance) P-C4' energy: -133.144
flat angles C4'-P-C4' energy: -139.948
flat angles P-C4'-P energy: -87.674
tors. eta vs tors. theta energy: -148.554
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1779.561144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.561144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.561144 (E_RNA)
where:
Base-Base interactions energy: -1205.089
where: short stacking energy: -504.737
Base-Backbone interact. energy: -2.566
local terms energy: -571.905928
where:
bonds (distance) C4'-P energy: -111.891
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -127.762
flat angles P-C4'-P energy: -90.417
tors. eta vs tors. theta energy: -130.066
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1665.391714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.391714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.391714 (E_RNA)
where:
Base-Base interactions energy: -1081.268
where: short stacking energy: -497.369
Base-Backbone interact. energy: -2.161
local terms energy: -581.962576
where:
bonds (distance) C4'-P energy: -108.347
bonds (distance) P-C4' energy: -105.145
flat angles C4'-P-C4' energy: -138.004
flat angles P-C4'-P energy: -90.598
tors. eta vs tors. theta energy: -139.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1552.992282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.992282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.992282 (E_RNA)
where:
Base-Base interactions energy: -1014.664
where: short stacking energy: -443.974
Base-Backbone interact. energy: -3.987
local terms energy: -534.341883
where:
bonds (distance) C4'-P energy: -105.716
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -118.506
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -109.931
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: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1542.331145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.331145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.331145 (E_RNA)
where:
Base-Base interactions energy: -996.438
where: short stacking energy: -442.035
Base-Backbone interact. energy: 0.445
local terms energy: -546.338048
where:
bonds (distance) C4'-P energy: -120.435
bonds (distance) P-C4' energy: -113.188
flat angles C4'-P-C4' energy: -130.438
flat angles P-C4'-P energy: -75.775
tors. eta vs tors. theta energy: -106.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1151.753941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.753941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.753941 (E_RNA)
where:
Base-Base interactions energy: -701.035
where: short stacking energy: -330.120
Base-Backbone interact. energy: -3.192
local terms energy: -447.527057
where:
bonds (distance) C4'-P energy: -88.799
bonds (distance) P-C4' energy: -126.130
flat angles C4'-P-C4' energy: -100.696
flat angles P-C4'-P energy: -70.583
tors. eta vs tors. theta energy: -61.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -906.810030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.810030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.810030 (E_RNA)
where:
Base-Base interactions energy: -490.547
where: short stacking energy: -265.731
Base-Backbone interact. energy: -0.418
local terms energy: -415.844803
where:
bonds (distance) C4'-P energy: -117.082
bonds (distance) P-C4' energy: -101.534
flat angles C4'-P-C4' energy: -103.536
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -37.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -602.288020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.288020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.288020 (E_RNA)
where:
Base-Base interactions energy: -253.759
where: short stacking energy: -176.975
Base-Backbone interact. energy: 3.426
local terms energy: -351.955343
where:
bonds (distance) C4'-P energy: -97.747
bonds (distance) P-C4' energy: -105.207
flat angles C4'-P-C4' energy: -91.408
flat angles P-C4'-P energy: -60.818
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -636.097943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.097943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.097943 (E_RNA)
where:
Base-Base interactions energy: -280.470
where: short stacking energy: -175.607
Base-Backbone interact. energy: 0.039
local terms energy: -355.666807
where:
bonds (distance) C4'-P energy: -118.951
bonds (distance) P-C4' energy: -87.943
flat angles C4'-P-C4' energy: -91.620
flat angles P-C4'-P energy: -57.642
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2040.878496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.878496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.878496 (E_RNA)
where:
Base-Base interactions energy: -1396.863
where: short stacking energy: -576.144
Base-Backbone interact. energy: -7.374
local terms energy: -636.641693
where:
bonds (distance) C4'-P energy: -116.507
bonds (distance) P-C4' energy: -128.821
flat angles C4'-P-C4' energy: -136.251
flat angles P-C4'-P energy: -95.990
tors. eta vs tors. theta energy: -159.073
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: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1964.703579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.703579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.703579 (E_RNA)
where:
Base-Base interactions energy: -1355.365
where: short stacking energy: -572.850
Base-Backbone interact. energy: -1.988
local terms energy: -607.350992
where:
bonds (distance) C4'-P energy: -118.458
bonds (distance) P-C4' energy: -117.966
flat angles C4'-P-C4' energy: -128.073
flat angles P-C4'-P energy: -83.339
tors. eta vs tors. theta energy: -159.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1832.007215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.007215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.007215 (E_RNA)
where:
Base-Base interactions energy: -1225.575
where: short stacking energy: -539.026
Base-Backbone interact. energy: -1.796
local terms energy: -604.636621
where:
bonds (distance) C4'-P energy: -120.314
bonds (distance) P-C4' energy: -126.849
flat angles C4'-P-C4' energy: -143.974
flat angles P-C4'-P energy: -69.908
tors. eta vs tors. theta energy: -143.592
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1663.492629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.492629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.492629 (E_RNA)
where:
Base-Base interactions energy: -1091.616
where: short stacking energy: -511.330
Base-Backbone interact. energy: -0.727
local terms energy: -571.149271
where:
bonds (distance) C4'-P energy: -130.153
bonds (distance) P-C4' energy: -102.632
flat angles C4'-P-C4' energy: -112.723
flat angles P-C4'-P energy: -96.068
tors. eta vs tors. theta energy: -129.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1514.915047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.915047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.915047 (E_RNA)
where:
Base-Base interactions energy: -969.264
where: short stacking energy: -447.225
Base-Backbone interact. energy: -0.253
local terms energy: -545.398332
where:
bonds (distance) C4'-P energy: -117.600
bonds (distance) P-C4' energy: -115.189
flat angles C4'-P-C4' energy: -119.267
flat angles P-C4'-P energy: -84.020
tors. eta vs tors. theta energy: -109.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1491.079503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.079503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.079503 (E_RNA)
where:
Base-Base interactions energy: -995.643
where: short stacking energy: -456.516
Base-Backbone interact. energy: 1.675
local terms energy: -497.110832
where:
bonds (distance) C4'-P energy: -126.505
bonds (distance) P-C4' energy: -92.337
flat angles C4'-P-C4' energy: -124.287
flat angles P-C4'-P energy: -71.419
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1289.658896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.658896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.658896 (E_RNA)
where:
Base-Base interactions energy: -844.937
where: short stacking energy: -400.668
Base-Backbone interact. energy: -4.113
local terms energy: -440.609370
where:
bonds (distance) C4'-P energy: -88.239
bonds (distance) P-C4' energy: -106.449
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -56.922
tors. eta vs tors. theta energy: -83.977
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: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -932.651293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.651293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.651293 (E_RNA)
where:
Base-Base interactions energy: -532.746
where: short stacking energy: -265.968
Base-Backbone interact. energy: -3.436
local terms energy: -396.469098
where:
bonds (distance) C4'-P energy: -81.963
bonds (distance) P-C4' energy: -96.004
flat angles C4'-P-C4' energy: -114.886
flat angles P-C4'-P energy: -61.730
tors. eta vs tors. theta energy: -41.887
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: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -655.203081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.203081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.203081 (E_RNA)
where:
Base-Base interactions energy: -304.445
where: short stacking energy: -204.372
Base-Backbone interact. energy: 4.138
local terms energy: -354.895765
where:
bonds (distance) C4'-P energy: -102.106
bonds (distance) P-C4' energy: -112.099
flat angles C4'-P-C4' energy: -95.032
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -2.792
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: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -606.784452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.784452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.784452 (E_RNA)
where:
Base-Base interactions energy: -283.262
where: short stacking energy: -157.532
Base-Backbone interact. energy: -0.605
local terms energy: -322.917698
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -103.139
flat angles C4'-P-C4' energy: -87.037
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: 26.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2040.561510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.561510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.561510 (E_RNA)
where:
Base-Base interactions energy: -1392.181
where: short stacking energy: -583.761
Base-Backbone interact. energy: -5.992
local terms energy: -642.389055
where:
bonds (distance) C4'-P energy: -120.467
bonds (distance) P-C4' energy: -122.734
flat angles C4'-P-C4' energy: -150.934
flat angles P-C4'-P energy: -89.974
tors. eta vs tors. theta energy: -158.279
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1987.232031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.232031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.232031 (E_RNA)
where:
Base-Base interactions energy: -1359.394
where: short stacking energy: -579.158
Base-Backbone interact. energy: -3.281
local terms energy: -624.557272
where:
bonds (distance) C4'-P energy: -118.199
bonds (distance) P-C4' energy: -127.071
flat angles C4'-P-C4' energy: -138.666
flat angles P-C4'-P energy: -87.339
tors. eta vs tors. theta energy: -153.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1810.372260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.372260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.372260 (E_RNA)
where:
Base-Base interactions energy: -1205.361
where: short stacking energy: -538.867
Base-Backbone interact. energy: -0.127
local terms energy: -604.884794
where:
bonds (distance) C4'-P energy: -113.681
bonds (distance) P-C4' energy: -119.490
flat angles C4'-P-C4' energy: -135.081
flat angles P-C4'-P energy: -95.094
tors. eta vs tors. theta energy: -141.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1663.356578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.356578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.356578 (E_RNA)
where:
Base-Base interactions energy: -1089.604
where: short stacking energy: -514.844
Base-Backbone interact. energy: -0.572
local terms energy: -573.180828
where:
bonds (distance) C4'-P energy: -115.247
bonds (distance) P-C4' energy: -117.913
flat angles C4'-P-C4' energy: -124.082
flat angles P-C4'-P energy: -82.941
tors. eta vs tors. theta energy: -132.998
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: 84
Temperature: 1.100000
Total energy: -1581.394092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.394092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.394092 (E_RNA)
where:
Base-Base interactions energy: -1049.061
where: short stacking energy: -523.306
Base-Backbone interact. energy: -2.350
local terms energy: -529.983392
where:
bonds (distance) C4'-P energy: -80.572
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -133.557
flat angles P-C4'-P energy: -87.260
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: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1459.487382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.487382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.487382 (E_RNA)
where:
Base-Base interactions energy: -964.871
where: short stacking energy: -453.526
Base-Backbone interact. energy: -4.505
local terms energy: -490.111475
where:
bonds (distance) C4'-P energy: -96.638
bonds (distance) P-C4' energy: -109.165
flat angles C4'-P-C4' energy: -106.134
flat angles P-C4'-P energy: -76.642
tors. eta vs tors. theta energy: -101.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1171.509248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.509248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.509248 (E_RNA)
where:
Base-Base interactions energy: -683.727
where: short stacking energy: -323.801
Base-Backbone interact. energy: -0.020
local terms energy: -487.762509
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -124.785
flat angles C4'-P-C4' energy: -127.845
flat angles P-C4'-P energy: -75.479
tors. eta vs tors. theta energy: -62.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -951.958651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.958651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.958651 (E_RNA)
where:
Base-Base interactions energy: -530.714
where: short stacking energy: -276.141
Base-Backbone interact. energy: -3.534
local terms energy: -417.710059
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -125.226
flat angles C4'-P-C4' energy: -96.237
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -46.050
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -689.141549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.141549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.141549 (E_RNA)
where:
Base-Base interactions energy: -317.337
where: short stacking energy: -212.346
Base-Backbone interact. energy: -0.809
local terms energy: -370.995596
where:
bonds (distance) C4'-P energy: -101.010
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -100.415
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: -14.754
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: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -589.680573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.680573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.680573 (E_RNA)
where:
Base-Base interactions energy: -245.264
where: short stacking energy: -162.961
Base-Backbone interact. energy: -1.862
local terms energy: -342.554227
where:
bonds (distance) C4'-P energy: -104.767
bonds (distance) P-C4' energy: -107.028
flat angles C4'-P-C4' energy: -90.412
flat angles P-C4'-P energy: -36.660
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2058.320476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.320476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.320476 (E_RNA)
where:
Base-Base interactions energy: -1400.989
where: short stacking energy: -596.275
Base-Backbone interact. energy: -5.513
local terms energy: -651.818670
where:
bonds (distance) C4'-P energy: -116.408
bonds (distance) P-C4' energy: -124.389
flat angles C4'-P-C4' energy: -143.204
flat angles P-C4'-P energy: -100.063
tors. eta vs tors. theta energy: -167.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1967.602793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.602793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.602793 (E_RNA)
where:
Base-Base interactions energy: -1332.274
where: short stacking energy: -566.044
Base-Backbone interact. energy: -4.356
local terms energy: -630.972626
where:
bonds (distance) C4'-P energy: -127.641
bonds (distance) P-C4' energy: -120.450
flat angles C4'-P-C4' energy: -139.847
flat angles P-C4'-P energy: -92.594
tors. eta vs tors. theta energy: -150.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1868.594229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.594229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.594229 (E_RNA)
where:
Base-Base interactions energy: -1299.443
where: short stacking energy: -524.469
Base-Backbone interact. energy: -1.910
local terms energy: -567.241287
where:
bonds (distance) C4'-P energy: -119.492
bonds (distance) P-C4' energy: -110.814
flat angles C4'-P-C4' energy: -119.724
flat angles P-C4'-P energy: -82.061
tors. eta vs tors. theta energy: -135.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1711.950103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.950103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.950103 (E_RNA)
where:
Base-Base interactions energy: -1130.847
where: short stacking energy: -531.216
Base-Backbone interact. energy: -1.142
local terms energy: -579.960355
where:
bonds (distance) C4'-P energy: -113.151
bonds (distance) P-C4' energy: -120.874
flat angles C4'-P-C4' energy: -129.756
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -131.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1587.764872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.764872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.764872 (E_RNA)
where:
Base-Base interactions energy: -1029.540
where: short stacking energy: -474.346
Base-Backbone interact. energy: -3.000
local terms energy: -555.225373
where:
bonds (distance) C4'-P energy: -117.117
bonds (distance) P-C4' energy: -110.482
flat angles C4'-P-C4' energy: -121.946
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -124.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1380.840099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.840099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.840099 (E_RNA)
where:
Base-Base interactions energy: -890.693
where: short stacking energy: -419.358
Base-Backbone interact. energy: -2.584
local terms energy: -487.562956
where:
bonds (distance) C4'-P energy: -110.411
bonds (distance) P-C4' energy: -111.079
flat angles C4'-P-C4' energy: -109.842
flat angles P-C4'-P energy: -75.837
tors. eta vs tors. theta energy: -80.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1157.988404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.988404 (E_RNA)
where:
Base-Base interactions energy: -702.617
where: short stacking energy: -341.854
Base-Backbone interact. energy: -3.859
local terms energy: -451.512108
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -102.254
flat angles C4'-P-C4' energy: -93.738
flat angles P-C4'-P energy: -80.218
tors. eta vs tors. theta energy: -63.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -913.931360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.931360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.931360 (E_RNA)
where:
Base-Base interactions energy: -517.885
where: short stacking energy: -276.696
Base-Backbone interact. energy: 2.119
local terms energy: -398.164602
where:
bonds (distance) C4'-P energy: -104.395
bonds (distance) P-C4' energy: -107.609
flat angles C4'-P-C4' energy: -97.540
flat angles P-C4'-P energy: -58.150
tors. eta vs tors. theta energy: -30.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -668.753308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.753308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.753308 (E_RNA)
where:
Base-Base interactions energy: -316.053
where: short stacking energy: -196.929
Base-Backbone interact. energy: -2.571
local terms energy: -350.129507
where:
bonds (distance) C4'-P energy: -101.364
bonds (distance) P-C4' energy: -102.271
flat angles C4'-P-C4' energy: -89.499
flat angles P-C4'-P energy: -47.568
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -579.658953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.658953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.658953 (E_RNA)
where:
Base-Base interactions energy: -240.890
where: short stacking energy: -162.066
Base-Backbone interact. energy: -2.548
local terms energy: -336.220870
where:
bonds (distance) C4'-P energy: -89.397
bonds (distance) P-C4' energy: -96.571
flat angles C4'-P-C4' energy: -95.979
flat angles P-C4'-P energy: -66.623
tors. eta vs tors. theta energy: 12.350
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: 86
Temperature: 0.900000
Total energy: -2071.557547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.557547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.557547 (E_RNA)
where:
Base-Base interactions energy: -1404.599
where: short stacking energy: -582.654
Base-Backbone interact. energy: -3.620
local terms energy: -663.339021
where:
bonds (distance) C4'-P energy: -133.753
bonds (distance) P-C4' energy: -133.722
flat angles C4'-P-C4' energy: -147.243
flat angles P-C4'-P energy: -89.161
tors. eta vs tors. theta energy: -159.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1947.059284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.059284 (E_RNA)
where:
Base-Base interactions energy: -1300.136
where: short stacking energy: -554.373
Base-Backbone interact. energy: -1.852
local terms energy: -645.071501
where:
bonds (distance) C4'-P energy: -132.687
bonds (distance) P-C4' energy: -143.248
flat angles C4'-P-C4' energy: -134.295
flat angles P-C4'-P energy: -90.425
tors. eta vs tors. theta energy: -144.417
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: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1850.434669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.434669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.434669 (E_RNA)
where:
Base-Base interactions energy: -1252.971
where: short stacking energy: -534.830
Base-Backbone interact. energy: -1.314
local terms energy: -596.149462
where:
bonds (distance) C4'-P energy: -123.395
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -124.826
flat angles P-C4'-P energy: -80.902
tors. eta vs tors. theta energy: -142.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1613.710987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.710987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.710987 (E_RNA)
where:
Base-Base interactions energy: -1077.927
where: short stacking energy: -484.737
Base-Backbone interact. energy: -0.354
local terms energy: -535.430054
where:
bonds (distance) C4'-P energy: -103.281
bonds (distance) P-C4' energy: -121.457
flat angles C4'-P-C4' energy: -120.208
flat angles P-C4'-P energy: -74.002
tors. eta vs tors. theta energy: -116.482
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: 86
Temperature: 1.100000
Total energy: -1588.721977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.721977 (E_RNA)
where:
Base-Base interactions energy: -1041.564
where: short stacking energy: -465.597
Base-Backbone interact. energy: -2.238
local terms energy: -544.920393
where:
bonds (distance) C4'-P energy: -137.748
bonds (distance) P-C4' energy: -100.540
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -74.317
tors. eta vs tors. theta energy: -118.475
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: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1459.712870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.712870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.712870 (E_RNA)
where:
Base-Base interactions energy: -941.474
where: short stacking energy: -411.594
Base-Backbone interact. energy: 1.205
local terms energy: -519.443940
where:
bonds (distance) C4'-P energy: -97.084
bonds (distance) P-C4' energy: -111.452
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -78.768
tors. eta vs tors. theta energy: -106.257
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1141.600853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.600853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.600853 (E_RNA)
where:
Base-Base interactions energy: -704.407
where: short stacking energy: -324.511
Base-Backbone interact. energy: -1.307
local terms energy: -435.887239
where:
bonds (distance) C4'-P energy: -87.344
bonds (distance) P-C4' energy: -107.922
flat angles C4'-P-C4' energy: -125.515
flat angles P-C4'-P energy: -62.743
tors. eta vs tors. theta energy: -52.362
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: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -964.603460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.603460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.603460 (E_RNA)
where:
Base-Base interactions energy: -552.957
where: short stacking energy: -300.770
Base-Backbone interact. energy: -0.052
local terms energy: -411.594787
where:
bonds (distance) C4'-P energy: -115.672
bonds (distance) P-C4' energy: -91.317
flat angles C4'-P-C4' energy: -109.899
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -44.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -654.226550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.226550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.226550 (E_RNA)
where:
Base-Base interactions energy: -310.874
where: short stacking energy: -203.696
Base-Backbone interact. energy: -2.379
local terms energy: -340.974095
where:
bonds (distance) C4'-P energy: -114.723
bonds (distance) P-C4' energy: -90.542
flat angles C4'-P-C4' energy: -88.922
flat angles P-C4'-P energy: -56.984
tors. eta vs tors. theta energy: 10.196
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: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -550.971134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971134 (E_RNA)
where:
Base-Base interactions energy: -235.689
where: short stacking energy: -153.686
Base-Backbone interact. energy: 2.927
local terms energy: -318.208873
where:
bonds (distance) C4'-P energy: -105.071
bonds (distance) P-C4' energy: -102.983
flat angles C4'-P-C4' energy: -74.308
flat angles P-C4'-P energy: -48.330
tors. eta vs tors. theta energy: 12.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2071.646071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.646071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.646071 (E_RNA)
where:
Base-Base interactions energy: -1404.056
where: short stacking energy: -587.488
Base-Backbone interact. energy: -8.955
local terms energy: -658.635282
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -129.241
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -95.809
tors. eta vs tors. theta energy: -155.983
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: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1978.503254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.503254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.503254 (E_RNA)
where:
Base-Base interactions energy: -1368.902
where: short stacking energy: -558.834
Base-Backbone interact. energy: -2.666
local terms energy: -606.935518
where:
bonds (distance) C4'-P energy: -115.018
bonds (distance) P-C4' energy: -120.942
flat angles C4'-P-C4' energy: -133.543
flat angles P-C4'-P energy: -86.863
tors. eta vs tors. theta energy: -150.570
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1802.750093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.750093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.750093 (E_RNA)
where:
Base-Base interactions energy: -1209.773
where: short stacking energy: -517.696
Base-Backbone interact. energy: -3.539
local terms energy: -589.438493
where:
bonds (distance) C4'-P energy: -104.549
bonds (distance) P-C4' energy: -134.870
flat angles C4'-P-C4' energy: -130.256
flat angles P-C4'-P energy: -73.164
tors. eta vs tors. theta energy: -146.600
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: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1662.489932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.489932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.489932 (E_RNA)
where:
Base-Base interactions energy: -1097.331
where: short stacking energy: -491.079
Base-Backbone interact. energy: -2.232
local terms energy: -562.927501
where:
bonds (distance) C4'-P energy: -101.476
bonds (distance) P-C4' energy: -133.444
flat angles C4'-P-C4' energy: -124.508
flat angles P-C4'-P energy: -77.103
tors. eta vs tors. theta energy: -126.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1610.446048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.446048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.446048 (E_RNA)
where:
Base-Base interactions energy: -1051.984
where: short stacking energy: -471.455
Base-Backbone interact. energy: -1.204
local terms energy: -557.258277
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -97.094
flat angles C4'-P-C4' energy: -139.568
flat angles P-C4'-P energy: -91.213
tors. eta vs tors. theta energy: -121.295
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1471.090603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.090603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.090603 (E_RNA)
where:
Base-Base interactions energy: -960.329
where: short stacking energy: -426.074
Base-Backbone interact. energy: -4.966
local terms energy: -505.796117
where:
bonds (distance) C4'-P energy: -113.723
bonds (distance) P-C4' energy: -100.475
flat angles C4'-P-C4' energy: -130.580
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -89.436
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1158.300957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.300957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.300957 (E_RNA)
where:
Base-Base interactions energy: -707.668
where: short stacking energy: -326.324
Base-Backbone interact. energy: -4.708
local terms energy: -445.924772
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -100.186
flat angles C4'-P-C4' energy: -107.346
flat angles P-C4'-P energy: -64.097
tors. eta vs tors. theta energy: -53.628
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: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -928.262472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.262472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.262472 (E_RNA)
where:
Base-Base interactions energy: -521.588
where: short stacking energy: -270.231
Base-Backbone interact. energy: 1.060
local terms energy: -407.734297
where:
bonds (distance) C4'-P energy: -105.536
bonds (distance) P-C4' energy: -100.224
flat angles C4'-P-C4' energy: -104.025
flat angles P-C4'-P energy: -57.086
tors. eta vs tors. theta energy: -40.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -624.166516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.166516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.166516 (E_RNA)
where:
Base-Base interactions energy: -313.419
where: short stacking energy: -199.275
Base-Backbone interact. energy: -3.408
local terms energy: -307.339847
where:
bonds (distance) C4'-P energy: -98.626
bonds (distance) P-C4' energy: -96.219
flat angles C4'-P-C4' energy: -89.510
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: 24.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -488.255259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.255259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.255259 (E_RNA)
where:
Base-Base interactions energy: -147.192
where: short stacking energy: -121.831
Base-Backbone interact. energy: -1.341
local terms energy: -339.722015
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -115.114
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: 24.681
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: 88
Temperature: 0.900000
Total energy: -2067.318651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.318651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.318651 (E_RNA)
where:
Base-Base interactions energy: -1430.675
where: short stacking energy: -596.882
Base-Backbone interact. energy: 2.336
local terms energy: -638.979444
where:
bonds (distance) C4'-P energy: -121.642
bonds (distance) P-C4' energy: -122.964
flat angles C4'-P-C4' energy: -136.914
flat angles P-C4'-P energy: -103.098
tors. eta vs tors. theta energy: -154.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1974.170047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.170047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.170047 (E_RNA)
where:
Base-Base interactions energy: -1358.313
where: short stacking energy: -550.401
Base-Backbone interact. energy: -1.712
local terms energy: -614.145213
where:
bonds (distance) C4'-P energy: -108.440
bonds (distance) P-C4' energy: -125.556
flat angles C4'-P-C4' energy: -132.412
flat angles P-C4'-P energy: -99.496
tors. eta vs tors. theta energy: -148.242
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1813.625962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.625962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.625962 (E_RNA)
where:
Base-Base interactions energy: -1218.665
where: short stacking energy: -529.469
Base-Backbone interact. energy: -2.399
local terms energy: -592.562210
where:
bonds (distance) C4'-P energy: -118.952
bonds (distance) P-C4' energy: -122.019
flat angles C4'-P-C4' energy: -145.252
flat angles P-C4'-P energy: -70.149
tors. eta vs tors. theta energy: -136.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1649.980812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.980812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.980812 (E_RNA)
where:
Base-Base interactions energy: -1103.664
where: short stacking energy: -464.533
Base-Backbone interact. energy: -0.466
local terms energy: -545.851062
where:
bonds (distance) C4'-P energy: -123.191
bonds (distance) P-C4' energy: -116.815
flat angles C4'-P-C4' energy: -120.830
flat angles P-C4'-P energy: -71.283
tors. eta vs tors. theta energy: -113.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1566.414907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.414907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.414907 (E_RNA)
where:
Base-Base interactions energy: -1020.641
where: short stacking energy: -460.048
Base-Backbone interact. energy: -4.316
local terms energy: -541.457921
where:
bonds (distance) C4'-P energy: -119.943
bonds (distance) P-C4' energy: -111.415
flat angles C4'-P-C4' energy: -114.190
flat angles P-C4'-P energy: -89.962
tors. eta vs tors. theta energy: -105.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1522.832425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.832425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.832425 (E_RNA)
where:
Base-Base interactions energy: -973.308
where: short stacking energy: -444.582
Base-Backbone interact. energy: -1.343
local terms energy: -548.181825
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -127.916
flat angles P-C4'-P energy: -89.999
tors. eta vs tors. theta energy: -114.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1168.482497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.482497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.482497 (E_RNA)
where:
Base-Base interactions energy: -724.584
where: short stacking energy: -337.087
Base-Backbone interact. energy: 3.308
local terms energy: -447.206431
where:
bonds (distance) C4'-P energy: -105.040
bonds (distance) P-C4' energy: -124.265
flat angles C4'-P-C4' energy: -94.233
flat angles P-C4'-P energy: -55.355
tors. eta vs tors. theta energy: -68.313
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: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1026.178472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.178472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.178472 (E_RNA)
where:
Base-Base interactions energy: -578.332
where: short stacking energy: -304.997
Base-Backbone interact. energy: -1.433
local terms energy: -446.413697
where:
bonds (distance) C4'-P energy: -109.322
bonds (distance) P-C4' energy: -116.635
flat angles C4'-P-C4' energy: -102.910
flat angles P-C4'-P energy: -56.540
tors. eta vs tors. theta energy: -61.007
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: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -588.749353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.749353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.749353 (E_RNA)
where:
Base-Base interactions energy: -269.648
where: short stacking energy: -184.276
Base-Backbone interact. energy: -1.484
local terms energy: -317.616550
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -93.519
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: 5.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -489.022775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.022775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.022775 (E_RNA)
where:
Base-Base interactions energy: -169.005
where: short stacking energy: -149.309
Base-Backbone interact. energy: -2.554
local terms energy: -317.464001
where:
bonds (distance) C4'-P energy: -103.275
bonds (distance) P-C4' energy: -116.466
flat angles C4'-P-C4' energy: -84.793
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: 33.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2052.339574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.339574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.339574 (E_RNA)
where:
Base-Base interactions energy: -1391.424
where: short stacking energy: -591.303
Base-Backbone interact. energy: -2.592
local terms energy: -658.323091
where:
bonds (distance) C4'-P energy: -124.278
bonds (distance) P-C4' energy: -132.029
flat angles C4'-P-C4' energy: -145.525
flat angles P-C4'-P energy: -96.139
tors. eta vs tors. theta energy: -160.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1953.215889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.215889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.215889 (E_RNA)
where:
Base-Base interactions energy: -1340.274
where: short stacking energy: -551.092
Base-Backbone interact. energy: -5.476
local terms energy: -607.465605
where:
bonds (distance) C4'-P energy: -118.702
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -132.314
flat angles P-C4'-P energy: -102.430
tors. eta vs tors. theta energy: -137.699
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: 89
Temperature: 1.000000
Total energy: -1826.132731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.132731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.132731 (E_RNA)
where:
Base-Base interactions energy: -1224.547
where: short stacking energy: -515.066
Base-Backbone interact. energy: -1.714
local terms energy: -599.871834
where:
bonds (distance) C4'-P energy: -129.186
bonds (distance) P-C4' energy: -115.832
flat angles C4'-P-C4' energy: -148.835
flat angles P-C4'-P energy: -72.078
tors. eta vs tors. theta energy: -133.941
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: 89
Temperature: 1.050000
Total energy: -1724.383040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.383040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.383040 (E_RNA)
where:
Base-Base interactions energy: -1170.711
where: short stacking energy: -486.520
Base-Backbone interact. energy: -1.504
local terms energy: -552.168252
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -122.820
flat angles C4'-P-C4' energy: -113.400
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -124.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1583.367948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.367948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.367948 (E_RNA)
where:
Base-Base interactions energy: -1012.208
where: short stacking energy: -445.457
Base-Backbone interact. energy: -5.236
local terms energy: -565.924020
where:
bonds (distance) C4'-P energy: -114.259
bonds (distance) P-C4' energy: -121.227
flat angles C4'-P-C4' energy: -136.833
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -117.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1494.451656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.451656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.451656 (E_RNA)
where:
Base-Base interactions energy: -953.867
where: short stacking energy: -425.083
Base-Backbone interact. energy: -3.251
local terms energy: -537.333622
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -119.353
flat angles C4'-P-C4' energy: -122.808
flat angles P-C4'-P energy: -79.356
tors. eta vs tors. theta energy: -104.296
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1169.797367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.797367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.797367 (E_RNA)
where:
Base-Base interactions energy: -697.518
where: short stacking energy: -339.563
Base-Backbone interact. energy: -2.509
local terms energy: -469.770664
where:
bonds (distance) C4'-P energy: -96.103
bonds (distance) P-C4' energy: -119.494
flat angles C4'-P-C4' energy: -113.503
flat angles P-C4'-P energy: -68.791
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1033.572423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.572423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.572423 (E_RNA)
where:
Base-Base interactions energy: -586.738
where: short stacking energy: -311.461
Base-Backbone interact. energy: -1.678
local terms energy: -445.157165
where:
bonds (distance) C4'-P energy: -101.003
bonds (distance) P-C4' energy: -109.816
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -69.113
tors. eta vs tors. theta energy: -64.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -616.174285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.174285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.174285 (E_RNA)
where:
Base-Base interactions energy: -244.783
where: short stacking energy: -169.880
Base-Backbone interact. energy: 1.279
local terms energy: -372.670335
where:
bonds (distance) C4'-P energy: -103.693
bonds (distance) P-C4' energy: -109.329
flat angles C4'-P-C4' energy: -86.197
flat angles P-C4'-P energy: -70.423
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -487.065607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.065607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.065607 (E_RNA)
where:
Base-Base interactions energy: -181.741
where: short stacking energy: -136.463
Base-Backbone interact. energy: 1.284
local terms energy: -306.608390
where:
bonds (distance) C4'-P energy: -86.164
bonds (distance) P-C4' energy: -111.576
flat angles C4'-P-C4' energy: -97.412
flat angles P-C4'-P energy: -49.849
tors. eta vs tors. theta energy: 38.392
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: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2072.139756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.139756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.139756 (E_RNA)
where:
Base-Base interactions energy: -1421.596
where: short stacking energy: -594.965
Base-Backbone interact. energy: -6.159
local terms energy: -644.385418
where:
bonds (distance) C4'-P energy: -120.497
bonds (distance) P-C4' energy: -129.420
flat angles C4'-P-C4' energy: -140.089
flat angles P-C4'-P energy: -88.003
tors. eta vs tors. theta energy: -166.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1958.408898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.408898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.408898 (E_RNA)
where:
Base-Base interactions energy: -1351.551
where: short stacking energy: -555.470
Base-Backbone interact. energy: -1.020
local terms energy: -605.837245
where:
bonds (distance) C4'-P energy: -127.329
bonds (distance) P-C4' energy: -125.918
flat angles C4'-P-C4' energy: -125.326
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -142.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1797.738034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.738034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.738034 (E_RNA)
where:
Base-Base interactions energy: -1204.555
where: short stacking energy: -533.105
Base-Backbone interact. energy: 3.768
local terms energy: -596.951485
where:
bonds (distance) C4'-P energy: -135.120
bonds (distance) P-C4' energy: -117.142
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -78.462
tors. eta vs tors. theta energy: -133.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1759.295959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.295959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.295959 (E_RNA)
where:
Base-Base interactions energy: -1205.836
where: short stacking energy: -511.606
Base-Backbone interact. energy: -2.202
local terms energy: -551.258365
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -131.362
flat angles C4'-P-C4' energy: -112.078
flat angles P-C4'-P energy: -77.344
tors. eta vs tors. theta energy: -122.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1535.516165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.516165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.516165 (E_RNA)
where:
Base-Base interactions energy: -1005.542
where: short stacking energy: -445.741
Base-Backbone interact. energy: -5.534
local terms energy: -524.440800
where:
bonds (distance) C4'-P energy: -105.981
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -124.104
flat angles P-C4'-P energy: -77.091
tors. eta vs tors. theta energy: -99.509
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: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1426.019502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.019502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.019502 (E_RNA)
where:
Base-Base interactions energy: -914.104
where: short stacking energy: -419.224
Base-Backbone interact. energy: -1.388
local terms energy: -510.527236
where:
bonds (distance) C4'-P energy: -106.442
bonds (distance) P-C4' energy: -116.143
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -92.939
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: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1147.395322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.395322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.395322 (E_RNA)
where:
Base-Base interactions energy: -700.223
where: short stacking energy: -330.453
Base-Backbone interact. energy: 3.947
local terms energy: -451.118910
where:
bonds (distance) C4'-P energy: -92.855
bonds (distance) P-C4' energy: -115.499
flat angles C4'-P-C4' energy: -114.713
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -977.529068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.529068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.529068 (E_RNA)
where:
Base-Base interactions energy: -564.645
where: short stacking energy: -289.144
Base-Backbone interact. energy: -0.339
local terms energy: -412.545310
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -119.692
flat angles C4'-P-C4' energy: -88.306
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -46.970
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -655.205252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.205252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.205252 (E_RNA)
where:
Base-Base interactions energy: -286.335
where: short stacking energy: -183.723
Base-Backbone interact. energy: 3.214
local terms energy: -372.084289
where:
bonds (distance) C4'-P energy: -102.610
bonds (distance) P-C4' energy: -117.563
flat angles C4'-P-C4' energy: -101.600
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: 3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -487.966160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.966160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.966160 (E_RNA)
where:
Base-Base interactions energy: -151.769
where: short stacking energy: -115.424
Base-Backbone interact. energy: 5.386
local terms energy: -341.583533
where:
bonds (distance) C4'-P energy: -106.539
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -94.362
flat angles P-C4'-P energy: -50.013
tors. eta vs tors. theta energy: 31.012
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: 91
Temperature: 0.900000
Total energy: -2096.185627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.185627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.185627 (E_RNA)
where:
Base-Base interactions energy: -1446.394
where: short stacking energy: -593.106
Base-Backbone interact. energy: -5.949
local terms energy: -643.841993
where:
bonds (distance) C4'-P energy: -129.698
bonds (distance) P-C4' energy: -119.217
flat angles C4'-P-C4' energy: -139.686
flat angles P-C4'-P energy: -94.900
tors. eta vs tors. theta energy: -160.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1984.765768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.765768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.765768 (E_RNA)
where:
Base-Base interactions energy: -1362.874
where: short stacking energy: -548.479
Base-Backbone interact. energy: -4.847
local terms energy: -617.044937
where:
bonds (distance) C4'-P energy: -135.151
bonds (distance) P-C4' energy: -122.968
flat angles C4'-P-C4' energy: -121.582
flat angles P-C4'-P energy: -94.942
tors. eta vs tors. theta energy: -142.401
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: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1800.695349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.695349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.695349 (E_RNA)
where:
Base-Base interactions energy: -1206.963
where: short stacking energy: -520.598
Base-Backbone interact. energy: -1.675
local terms energy: -592.057000
where:
bonds (distance) C4'-P energy: -129.617
bonds (distance) P-C4' energy: -117.437
flat angles C4'-P-C4' energy: -135.721
flat angles P-C4'-P energy: -86.953
tors. eta vs tors. theta energy: -122.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1706.112557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.112557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.112557 (E_RNA)
where:
Base-Base interactions energy: -1139.939
where: short stacking energy: -489.556
Base-Backbone interact. energy: -0.722
local terms energy: -565.451600
where:
bonds (distance) C4'-P energy: -122.898
bonds (distance) P-C4' energy: -120.586
flat angles C4'-P-C4' energy: -131.741
flat angles P-C4'-P energy: -84.328
tors. eta vs tors. theta energy: -105.899
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1508.095870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.095870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.095870 (E_RNA)
where:
Base-Base interactions energy: -992.020
where: short stacking energy: -478.457
Base-Backbone interact. energy: 2.247
local terms energy: -518.323118
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -63.528
tors. eta vs tors. theta energy: -117.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1411.799780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.799780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.799780 (E_RNA)
where:
Base-Base interactions energy: -899.616
where: short stacking energy: -435.898
Base-Backbone interact. energy: 0.174
local terms energy: -512.357409
where:
bonds (distance) C4'-P energy: -116.589
bonds (distance) P-C4' energy: -107.863
flat angles C4'-P-C4' energy: -117.522
flat angles P-C4'-P energy: -80.825
tors. eta vs tors. theta energy: -89.557
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: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1126.999569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.999569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.999569 (E_RNA)
where:
Base-Base interactions energy: -670.417
where: short stacking energy: -354.371
Base-Backbone interact. energy: 0.165
local terms energy: -456.747665
where:
bonds (distance) C4'-P energy: -117.226
bonds (distance) P-C4' energy: -85.565
flat angles C4'-P-C4' energy: -124.125
flat angles P-C4'-P energy: -64.049
tors. eta vs tors. theta energy: -65.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -961.613553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.613553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.613553 (E_RNA)
where:
Base-Base interactions energy: -563.508
where: short stacking energy: -303.855
Base-Backbone interact. energy: -0.123
local terms energy: -397.982364
where:
bonds (distance) C4'-P energy: -101.977
bonds (distance) P-C4' energy: -108.938
flat angles C4'-P-C4' energy: -91.954
flat angles P-C4'-P energy: -59.399
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -619.846822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.846822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.846822 (E_RNA)
where:
Base-Base interactions energy: -283.431
where: short stacking energy: -185.410
Base-Backbone interact. energy: -2.569
local terms energy: -333.847650
where:
bonds (distance) C4'-P energy: -97.147
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -91.848
flat angles P-C4'-P energy: -51.744
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -525.358694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.358694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.358694 (E_RNA)
where:
Base-Base interactions energy: -221.489
where: short stacking energy: -163.633
Base-Backbone interact. energy: -1.693
local terms energy: -302.176837
where:
bonds (distance) C4'-P energy: -91.047
bonds (distance) P-C4' energy: -85.285
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -49.701
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2071.611524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.611524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.611524 (E_RNA)
where:
Base-Base interactions energy: -1422.002
where: short stacking energy: -596.537
Base-Backbone interact. energy: -6.485
local terms energy: -643.124996
where:
bonds (distance) C4'-P energy: -125.319
bonds (distance) P-C4' energy: -129.177
flat angles C4'-P-C4' energy: -131.729
flat angles P-C4'-P energy: -99.111
tors. eta vs tors. theta energy: -157.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1958.474573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.474573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.474573 (E_RNA)
where:
Base-Base interactions energy: -1318.711
where: short stacking energy: -554.442
Base-Backbone interact. energy: -4.439
local terms energy: -635.324182
where:
bonds (distance) C4'-P energy: -126.212
bonds (distance) P-C4' energy: -123.117
flat angles C4'-P-C4' energy: -143.624
flat angles P-C4'-P energy: -94.236
tors. eta vs tors. theta energy: -148.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1771.534268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.534268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.534268 (E_RNA)
where:
Base-Base interactions energy: -1187.166
where: short stacking energy: -510.191
Base-Backbone interact. energy: -4.010
local terms energy: -580.358266
where:
bonds (distance) C4'-P energy: -111.980
bonds (distance) P-C4' energy: -126.123
flat angles C4'-P-C4' energy: -117.089
flat angles P-C4'-P energy: -99.569
tors. eta vs tors. theta energy: -125.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1677.365519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.365519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.365519 (E_RNA)
where:
Base-Base interactions energy: -1114.081
where: short stacking energy: -502.904
Base-Backbone interact. energy: -2.807
local terms energy: -560.477295
where:
bonds (distance) C4'-P energy: -110.984
bonds (distance) P-C4' energy: -119.594
flat angles C4'-P-C4' energy: -115.758
flat angles P-C4'-P energy: -78.084
tors. eta vs tors. theta energy: -136.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1498.385049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.385049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.385049 (E_RNA)
where:
Base-Base interactions energy: -968.149
where: short stacking energy: -397.184
Base-Backbone interact. energy: -3.010
local terms energy: -527.225645
where:
bonds (distance) C4'-P energy: -123.525
bonds (distance) P-C4' energy: -114.436
flat angles C4'-P-C4' energy: -124.819
flat angles P-C4'-P energy: -74.043
tors. eta vs tors. theta energy: -90.403
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1444.831640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.831640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.831640 (E_RNA)
where:
Base-Base interactions energy: -917.660
where: short stacking energy: -416.316
Base-Backbone interact. energy: 0.851
local terms energy: -528.022411
where:
bonds (distance) C4'-P energy: -101.489
bonds (distance) P-C4' energy: -116.903
flat angles C4'-P-C4' energy: -129.529
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -105.522
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: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1181.430587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.430587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.430587 (E_RNA)
where:
Base-Base interactions energy: -702.594
where: short stacking energy: -351.781
Base-Backbone interact. energy: 1.288
local terms energy: -480.125169
where:
bonds (distance) C4'-P energy: -108.033
bonds (distance) P-C4' energy: -112.932
flat angles C4'-P-C4' energy: -119.074
flat angles P-C4'-P energy: -63.695
tors. eta vs tors. theta energy: -76.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1041.275058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.275058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.275058 (E_RNA)
where:
Base-Base interactions energy: -602.335
where: short stacking energy: -303.922
Base-Backbone interact. energy: 0.825
local terms energy: -439.765127
where:
bonds (distance) C4'-P energy: -114.208
bonds (distance) P-C4' energy: -115.055
flat angles C4'-P-C4' energy: -107.644
flat angles P-C4'-P energy: -47.544
tors. eta vs tors. theta energy: -55.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -639.915629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.915629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.915629 (E_RNA)
where:
Base-Base interactions energy: -313.066
where: short stacking energy: -183.396
Base-Backbone interact. energy: -1.282
local terms energy: -325.567475
where:
bonds (distance) C4'-P energy: -101.528
bonds (distance) P-C4' energy: -99.070
flat angles C4'-P-C4' energy: -100.037
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: 20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -526.331349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.331349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.331349 (E_RNA)
where:
Base-Base interactions energy: -177.699
where: short stacking energy: -134.525
Base-Backbone interact. energy: 1.003
local terms energy: -349.636081
where:
bonds (distance) C4'-P energy: -95.705
bonds (distance) P-C4' energy: -108.517
flat angles C4'-P-C4' energy: -99.067
flat angles P-C4'-P energy: -54.526
tors. eta vs tors. theta energy: 8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2076.070099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.070099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.070099 (E_RNA)
where:
Base-Base interactions energy: -1450.015
where: short stacking energy: -614.774
Base-Backbone interact. energy: -6.920
local terms energy: -619.134986
where:
bonds (distance) C4'-P energy: -98.303
bonds (distance) P-C4' energy: -122.269
flat angles C4'-P-C4' energy: -142.302
flat angles P-C4'-P energy: -88.386
tors. eta vs tors. theta energy: -167.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1954.324276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.324276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.324276 (E_RNA)
where:
Base-Base interactions energy: -1350.997
where: short stacking energy: -559.769
Base-Backbone interact. energy: -1.357
local terms energy: -601.970183
where:
bonds (distance) C4'-P energy: -121.216
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -137.249
flat angles P-C4'-P energy: -80.660
tors. eta vs tors. theta energy: -147.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1781.537633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.537633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.537633 (E_RNA)
where:
Base-Base interactions energy: -1183.330
where: short stacking energy: -533.056
Base-Backbone interact. energy: -2.685
local terms energy: -595.522667
where:
bonds (distance) C4'-P energy: -112.411
bonds (distance) P-C4' energy: -124.393
flat angles C4'-P-C4' energy: -123.224
flat angles P-C4'-P energy: -94.785
tors. eta vs tors. theta energy: -140.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1688.699756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.699756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.699756 (E_RNA)
where:
Base-Base interactions energy: -1132.620
where: short stacking energy: -509.969
Base-Backbone interact. energy: 7.735
local terms energy: -563.815205
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -117.631
flat angles C4'-P-C4' energy: -126.443
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -132.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1563.148471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.148471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.148471 (E_RNA)
where:
Base-Base interactions energy: -1000.085
where: short stacking energy: -469.404
Base-Backbone interact. energy: -1.367
local terms energy: -561.696515
where:
bonds (distance) C4'-P energy: -122.145
bonds (distance) P-C4' energy: -118.631
flat angles C4'-P-C4' energy: -129.561
flat angles P-C4'-P energy: -77.327
tors. eta vs tors. theta energy: -114.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1543.696123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.696123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.696123 (E_RNA)
where:
Base-Base interactions energy: -1001.460
where: short stacking energy: -459.506
Base-Backbone interact. energy: -4.938
local terms energy: -537.298205
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -119.753
flat angles C4'-P-C4' energy: -117.264
flat angles P-C4'-P energy: -78.135
tors. eta vs tors. theta energy: -117.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1244.598747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.598747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.598747 (E_RNA)
where:
Base-Base interactions energy: -765.274
where: short stacking energy: -374.655
Base-Backbone interact. energy: 2.100
local terms energy: -481.424858
where:
bonds (distance) C4'-P energy: -97.903
bonds (distance) P-C4' energy: -104.497
flat angles C4'-P-C4' energy: -122.454
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -73.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -993.156480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.156480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.156480 (E_RNA)
where:
Base-Base interactions energy: -540.588
where: short stacking energy: -278.040
Base-Backbone interact. energy: -3.072
local terms energy: -449.496541
where:
bonds (distance) C4'-P energy: -117.497
bonds (distance) P-C4' energy: -122.747
flat angles C4'-P-C4' energy: -99.579
flat angles P-C4'-P energy: -71.168
tors. eta vs tors. theta energy: -38.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -711.328243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.328243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.328243 (E_RNA)
where:
Base-Base interactions energy: -332.025
where: short stacking energy: -185.103
Base-Backbone interact. energy: -3.451
local terms energy: -375.851738
where:
bonds (distance) C4'-P energy: -108.328
bonds (distance) P-C4' energy: -117.049
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -519.485828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.485828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.485828 (E_RNA)
where:
Base-Base interactions energy: -220.593
where: short stacking energy: -170.770
Base-Backbone interact. energy: 3.525
local terms energy: -302.417262
where:
bonds (distance) C4'-P energy: -98.048
bonds (distance) P-C4' energy: -99.265
flat angles C4'-P-C4' energy: -75.459
flat angles P-C4'-P energy: -47.822
tors. eta vs tors. theta energy: 18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2029.164780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.164780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.164780 (E_RNA)
where:
Base-Base interactions energy: -1374.603
where: short stacking energy: -583.682
Base-Backbone interact. energy: -2.514
local terms energy: -652.047662
where:
bonds (distance) C4'-P energy: -132.963
bonds (distance) P-C4' energy: -124.296
flat angles C4'-P-C4' energy: -136.228
flat angles P-C4'-P energy: -87.853
tors. eta vs tors. theta energy: -170.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1972.063003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.063003 (E_RNA)
where:
Base-Base interactions energy: -1350.478
where: short stacking energy: -573.883
Base-Backbone interact. energy: -3.191
local terms energy: -618.393902
where:
bonds (distance) C4'-P energy: -134.976
bonds (distance) P-C4' energy: -113.838
flat angles C4'-P-C4' energy: -130.908
flat angles P-C4'-P energy: -94.134
tors. eta vs tors. theta energy: -144.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1775.957324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.957324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.957324 (E_RNA)
where:
Base-Base interactions energy: -1196.781
where: short stacking energy: -532.072
Base-Backbone interact. energy: -1.978
local terms energy: -577.198840
where:
bonds (distance) C4'-P energy: -107.417
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -132.985
flat angles P-C4'-P energy: -72.396
tors. eta vs tors. theta energy: -139.899
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: 94
Temperature: 1.050000
Total energy: -1674.278522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.278522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.278522 (E_RNA)
where:
Base-Base interactions energy: -1127.992
where: short stacking energy: -490.933
Base-Backbone interact. energy: -3.638
local terms energy: -542.648022
where:
bonds (distance) C4'-P energy: -105.911
bonds (distance) P-C4' energy: -109.120
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -75.984
tors. eta vs tors. theta energy: -116.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1562.373268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.373268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.373268 (E_RNA)
where:
Base-Base interactions energy: -1017.727
where: short stacking energy: -478.564
Base-Backbone interact. energy: -1.654
local terms energy: -542.992222
where:
bonds (distance) C4'-P energy: -114.107
bonds (distance) P-C4' energy: -123.843
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -64.812
tors. eta vs tors. theta energy: -125.019
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: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1368.644531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.644531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.644531 (E_RNA)
where:
Base-Base interactions energy: -864.883
where: short stacking energy: -430.598
Base-Backbone interact. energy: -1.372
local terms energy: -502.388970
where:
bonds (distance) C4'-P energy: -115.460
bonds (distance) P-C4' energy: -106.316
flat angles C4'-P-C4' energy: -116.507
flat angles P-C4'-P energy: -71.037
tors. eta vs tors. theta energy: -93.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1254.423886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.423886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.423886 (E_RNA)
where:
Base-Base interactions energy: -774.946
where: short stacking energy: -368.503
Base-Backbone interact. energy: -1.242
local terms energy: -478.235850
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -113.600
flat angles C4'-P-C4' energy: -106.803
flat angles P-C4'-P energy: -70.198
tors. eta vs tors. theta energy: -79.553
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: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -969.258606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.258606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.258606 (E_RNA)
where:
Base-Base interactions energy: -542.572
where: short stacking energy: -283.617
Base-Backbone interact. energy: 2.115
local terms energy: -428.800895
where:
bonds (distance) C4'-P energy: -96.213
bonds (distance) P-C4' energy: -100.072
flat angles C4'-P-C4' energy: -112.804
flat angles P-C4'-P energy: -73.046
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -664.118234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.118234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.118234 (E_RNA)
where:
Base-Base interactions energy: -293.938
where: short stacking energy: -176.554
Base-Backbone interact. energy: 2.897
local terms energy: -373.077805
where:
bonds (distance) C4'-P energy: -94.934
bonds (distance) P-C4' energy: -133.177
flat angles C4'-P-C4' energy: -103.767
flat angles P-C4'-P energy: -51.523
tors. eta vs tors. theta energy: 10.323
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: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -525.396682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.396682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.396682 (E_RNA)
where:
Base-Base interactions energy: -212.881
where: short stacking energy: -164.150
Base-Backbone interact. energy: 2.127
local terms energy: -314.642440
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -114.806
flat angles C4'-P-C4' energy: -82.625
flat angles P-C4'-P energy: -47.252
tors. eta vs tors. theta energy: 23.772
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2035.727665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.727665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.727665 (E_RNA)
where:
Base-Base interactions energy: -1376.317
where: short stacking energy: -576.429
Base-Backbone interact. energy: -4.205
local terms energy: -655.204888
where:
bonds (distance) C4'-P energy: -125.952
bonds (distance) P-C4' energy: -121.097
flat angles C4'-P-C4' energy: -145.715
flat angles P-C4'-P energy: -97.285
tors. eta vs tors. theta energy: -165.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1971.822435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.822435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.822435 (E_RNA)
where:
Base-Base interactions energy: -1362.318
where: short stacking energy: -567.260
Base-Backbone interact. energy: -2.979
local terms energy: -606.524870
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -113.866
flat angles C4'-P-C4' energy: -136.851
flat angles P-C4'-P energy: -91.916
tors. eta vs tors. theta energy: -139.436
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1835.919572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.919572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.919572 (E_RNA)
where:
Base-Base interactions energy: -1211.799
where: short stacking energy: -523.250
Base-Backbone interact. energy: -1.245
local terms energy: -622.875759
where:
bonds (distance) C4'-P energy: -127.154
bonds (distance) P-C4' energy: -125.849
flat angles C4'-P-C4' energy: -138.251
flat angles P-C4'-P energy: -89.854
tors. eta vs tors. theta energy: -141.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1729.061192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.061192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.061192 (E_RNA)
where:
Base-Base interactions energy: -1160.188
where: short stacking energy: -494.904
Base-Backbone interact. energy: 2.878
local terms energy: -571.751289
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -130.887
flat angles C4'-P-C4' energy: -138.749
flat angles P-C4'-P energy: -70.162
tors. eta vs tors. theta energy: -126.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1627.913275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.913275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.913275 (E_RNA)
where:
Base-Base interactions energy: -1090.593
where: short stacking energy: -465.864
Base-Backbone interact. energy: -1.400
local terms energy: -535.920290
where:
bonds (distance) C4'-P energy: -111.810
bonds (distance) P-C4' energy: -100.578
flat angles C4'-P-C4' energy: -129.973
flat angles P-C4'-P energy: -73.091
tors. eta vs tors. theta energy: -120.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1442.442798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.442798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.442798 (E_RNA)
where:
Base-Base interactions energy: -918.564
where: short stacking energy: -429.270
Base-Backbone interact. energy: -2.813
local terms energy: -521.066487
where:
bonds (distance) C4'-P energy: -85.226
bonds (distance) P-C4' energy: -132.234
flat angles C4'-P-C4' energy: -111.800
flat angles P-C4'-P energy: -80.549
tors. eta vs tors. theta energy: -111.257
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: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1219.816436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.816436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.816436 (E_RNA)
where:
Base-Base interactions energy: -751.675
where: short stacking energy: -346.260
Base-Backbone interact. energy: -3.295
local terms energy: -464.846916
where:
bonds (distance) C4'-P energy: -100.807
bonds (distance) P-C4' energy: -94.800
flat angles C4'-P-C4' energy: -112.183
flat angles P-C4'-P energy: -75.208
tors. eta vs tors. theta energy: -81.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -934.828296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.828296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.828296 (E_RNA)
where:
Base-Base interactions energy: -532.457
where: short stacking energy: -281.672
Base-Backbone interact. energy: -1.767
local terms energy: -400.604850
where:
bonds (distance) C4'-P energy: -113.391
bonds (distance) P-C4' energy: -92.863
flat angles C4'-P-C4' energy: -98.403
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -46.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -660.700575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.700575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.700575 (E_RNA)
where:
Base-Base interactions energy: -293.494
where: short stacking energy: -186.760
Base-Backbone interact. energy: 1.160
local terms energy: -368.367249
where:
bonds (distance) C4'-P energy: -105.090
bonds (distance) P-C4' energy: -99.926
flat angles C4'-P-C4' energy: -109.805
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: 0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -489.806680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.806680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.806680 (E_RNA)
where:
Base-Base interactions energy: -148.388
where: short stacking energy: -128.031
Base-Backbone interact. energy: -3.313
local terms energy: -338.106199
where:
bonds (distance) C4'-P energy: -102.283
bonds (distance) P-C4' energy: -115.642
flat angles C4'-P-C4' energy: -80.114
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: 18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2069.051411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.051411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.051411 (E_RNA)
where:
Base-Base interactions energy: -1408.154
where: short stacking energy: -573.775
Base-Backbone interact. energy: -0.213
local terms energy: -660.684350
where:
bonds (distance) C4'-P energy: -134.282
bonds (distance) P-C4' energy: -119.882
flat angles C4'-P-C4' energy: -142.851
flat angles P-C4'-P energy: -103.393
tors. eta vs tors. theta energy: -160.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1967.683809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.683809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.683809 (E_RNA)
where:
Base-Base interactions energy: -1359.559
where: short stacking energy: -551.215
Base-Backbone interact. energy: 2.332
local terms energy: -610.456383
where:
bonds (distance) C4'-P energy: -118.507
bonds (distance) P-C4' energy: -126.214
flat angles C4'-P-C4' energy: -129.622
flat angles P-C4'-P energy: -93.820
tors. eta vs tors. theta energy: -142.292
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1814.291431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.291431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.291431 (E_RNA)
where:
Base-Base interactions energy: -1252.439
where: short stacking energy: -547.234
Base-Backbone interact. energy: -3.281
local terms energy: -558.571376
where:
bonds (distance) C4'-P energy: -97.859
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -130.621
flat angles P-C4'-P energy: -78.704
tors. eta vs tors. theta energy: -127.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1714.068099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.068099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.068099 (E_RNA)
where:
Base-Base interactions energy: -1143.250
where: short stacking energy: -508.035
Base-Backbone interact. energy: -2.183
local terms energy: -568.635845
where:
bonds (distance) C4'-P energy: -125.654
bonds (distance) P-C4' energy: -107.564
flat angles C4'-P-C4' energy: -137.667
flat angles P-C4'-P energy: -72.681
tors. eta vs tors. theta energy: -125.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1656.270548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.270548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.270548 (E_RNA)
where:
Base-Base interactions energy: -1098.610
where: short stacking energy: -501.671
Base-Backbone interact. energy: -4.244
local terms energy: -553.417020
where:
bonds (distance) C4'-P energy: -107.749
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -135.396
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -136.258
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: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1449.421772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.421772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.421772 (E_RNA)
where:
Base-Base interactions energy: -930.871
where: short stacking energy: -426.685
Base-Backbone interact. energy: -2.242
local terms energy: -516.309132
where:
bonds (distance) C4'-P energy: -112.621
bonds (distance) P-C4' energy: -102.361
flat angles C4'-P-C4' energy: -125.601
flat angles P-C4'-P energy: -64.596
tors. eta vs tors. theta energy: -111.130
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: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1196.169708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.169708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.169708 (E_RNA)
where:
Base-Base interactions energy: -742.631
where: short stacking energy: -376.432
Base-Backbone interact. energy: 1.390
local terms energy: -454.928695
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -108.949
flat angles P-C4'-P energy: -55.806
tors. eta vs tors. theta energy: -70.144
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: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -931.350192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.350192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.350192 (E_RNA)
where:
Base-Base interactions energy: -523.680
where: short stacking energy: -257.941
Base-Backbone interact. energy: -1.427
local terms energy: -406.243611
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -116.716
flat angles C4'-P-C4' energy: -103.764
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -623.812732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.812732 (E_RNA)
where:
Base-Base interactions energy: -281.943
where: short stacking energy: -198.093
Base-Backbone interact. energy: -0.242
local terms energy: -341.628085
where:
bonds (distance) C4'-P energy: -93.223
bonds (distance) P-C4' energy: -116.919
flat angles C4'-P-C4' energy: -69.618
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -470.963866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.963866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.963866 (E_RNA)
where:
Base-Base interactions energy: -160.981
where: short stacking energy: -131.244
Base-Backbone interact. energy: -0.927
local terms energy: -309.055439
where:
bonds (distance) C4'-P energy: -95.452
bonds (distance) P-C4' energy: -113.984
flat angles C4'-P-C4' energy: -87.740
flat angles P-C4'-P energy: -52.977
tors. eta vs tors. theta energy: 41.097
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: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2066.217587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.217587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.217587 (E_RNA)
where:
Base-Base interactions energy: -1397.089
where: short stacking energy: -611.053
Base-Backbone interact. energy: -2.445
local terms energy: -666.684129
where:
bonds (distance) C4'-P energy: -122.819
bonds (distance) P-C4' energy: -131.618
flat angles C4'-P-C4' energy: -152.441
flat angles P-C4'-P energy: -86.265
tors. eta vs tors. theta energy: -173.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1990.765230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.765230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.765230 (E_RNA)
where:
Base-Base interactions energy: -1350.764
where: short stacking energy: -569.819
Base-Backbone interact. energy: -2.554
local terms energy: -637.446471
where:
bonds (distance) C4'-P energy: -106.103
bonds (distance) P-C4' energy: -141.137
flat angles C4'-P-C4' energy: -151.616
flat angles P-C4'-P energy: -88.833
tors. eta vs tors. theta energy: -149.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1854.211991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.211991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.211991 (E_RNA)
where:
Base-Base interactions energy: -1256.131
where: short stacking energy: -547.944
Base-Backbone interact. energy: 0.798
local terms energy: -598.878861
where:
bonds (distance) C4'-P energy: -97.801
bonds (distance) P-C4' energy: -126.453
flat angles C4'-P-C4' energy: -135.795
flat angles P-C4'-P energy: -91.069
tors. eta vs tors. theta energy: -147.762
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: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1707.497295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.497295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.497295 (E_RNA)
where:
Base-Base interactions energy: -1133.042
where: short stacking energy: -531.689
Base-Backbone interact. energy: 0.007
local terms energy: -574.461825
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -110.814
flat angles C4'-P-C4' energy: -128.076
flat angles P-C4'-P energy: -95.676
tors. eta vs tors. theta energy: -138.095
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1597.465960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.465960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.465960 (E_RNA)
where:
Base-Base interactions energy: -1071.499
where: short stacking energy: -486.814
Base-Backbone interact. energy: -6.124
local terms energy: -519.842605
where:
bonds (distance) C4'-P energy: -106.864
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -118.397
flat angles P-C4'-P energy: -76.092
tors. eta vs tors. theta energy: -133.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1404.235116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.235116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.235116 (E_RNA)
where:
Base-Base interactions energy: -914.039
where: short stacking energy: -411.310
Base-Backbone interact. energy: -2.842
local terms energy: -487.354844
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -104.730
flat angles C4'-P-C4' energy: -115.182
flat angles P-C4'-P energy: -77.286
tors. eta vs tors. theta energy: -96.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1201.199714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.199714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.199714 (E_RNA)
where:
Base-Base interactions energy: -772.211
where: short stacking energy: -364.849
Base-Backbone interact. energy: 4.961
local terms energy: -433.949786
where:
bonds (distance) C4'-P energy: -95.876
bonds (distance) P-C4' energy: -86.308
flat angles C4'-P-C4' energy: -110.286
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -74.639
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: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1007.054179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.054179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.054179 (E_RNA)
where:
Base-Base interactions energy: -586.032
where: short stacking energy: -299.969
Base-Backbone interact. energy: -1.906
local terms energy: -419.116746
where:
bonds (distance) C4'-P energy: -111.379
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -88.964
flat angles P-C4'-P energy: -57.223
tors. eta vs tors. theta energy: -35.325
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -658.283775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.283775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.283775 (E_RNA)
where:
Base-Base interactions energy: -307.826
where: short stacking energy: -208.521
Base-Backbone interact. energy: -0.844
local terms energy: -349.614165
where:
bonds (distance) C4'-P energy: -93.787
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -95.362
flat angles P-C4'-P energy: -54.293
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -529.104361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.104361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.104361 (E_RNA)
where:
Base-Base interactions energy: -235.296
where: short stacking energy: -161.198
Base-Backbone interact. energy: 3.027
local terms energy: -296.835757
where:
bonds (distance) C4'-P energy: -99.881
bonds (distance) P-C4' energy: -104.901
flat angles C4'-P-C4' energy: -79.940
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: 12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2067.969813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.969813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.969813 (E_RNA)
where:
Base-Base interactions energy: -1426.453
where: short stacking energy: -635.381
Base-Backbone interact. energy: 0.692
local terms energy: -642.209498
where:
bonds (distance) C4'-P energy: -109.237
bonds (distance) P-C4' energy: -121.188
flat angles C4'-P-C4' energy: -148.498
flat angles P-C4'-P energy: -81.702
tors. eta vs tors. theta energy: -181.584
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1963.324591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.324591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.324591 (E_RNA)
where:
Base-Base interactions energy: -1376.527
where: short stacking energy: -563.864
Base-Backbone interact. energy: -2.065
local terms energy: -584.732506
where:
bonds (distance) C4'-P energy: -112.861
bonds (distance) P-C4' energy: -107.305
flat angles C4'-P-C4' energy: -135.780
flat angles P-C4'-P energy: -81.260
tors. eta vs tors. theta energy: -147.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1816.813307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.813307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.813307 (E_RNA)
where:
Base-Base interactions energy: -1185.638
where: short stacking energy: -537.412
Base-Backbone interact. energy: -3.075
local terms energy: -628.100501
where:
bonds (distance) C4'-P energy: -120.600
bonds (distance) P-C4' energy: -114.523
flat angles C4'-P-C4' energy: -146.239
flat angles P-C4'-P energy: -91.263
tors. eta vs tors. theta energy: -155.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1683.331437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.331437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.331437 (E_RNA)
where:
Base-Base interactions energy: -1143.096
where: short stacking energy: -500.862
Base-Backbone interact. energy: -2.795
local terms energy: -537.440512
where:
bonds (distance) C4'-P energy: -105.273
bonds (distance) P-C4' energy: -110.550
flat angles C4'-P-C4' energy: -118.342
flat angles P-C4'-P energy: -89.475
tors. eta vs tors. theta energy: -113.801
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: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1611.735772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.735772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.735772 (E_RNA)
where:
Base-Base interactions energy: -1079.481
where: short stacking energy: -475.278
Base-Backbone interact. energy: 2.016
local terms energy: -534.270892
where:
bonds (distance) C4'-P energy: -127.959
bonds (distance) P-C4' energy: -104.543
flat angles C4'-P-C4' energy: -118.212
flat angles P-C4'-P energy: -73.204
tors. eta vs tors. theta energy: -110.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1488.081394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.081394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.081394 (E_RNA)
where:
Base-Base interactions energy: -970.024
where: short stacking energy: -428.214
Base-Backbone interact. energy: -0.617
local terms energy: -517.440814
where:
bonds (distance) C4'-P energy: -108.187
bonds (distance) P-C4' energy: -117.433
flat angles C4'-P-C4' energy: -114.440
flat angles P-C4'-P energy: -79.362
tors. eta vs tors. theta energy: -98.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1198.282792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.282792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.282792 (E_RNA)
where:
Base-Base interactions energy: -742.370
where: short stacking energy: -344.564
Base-Backbone interact. energy: -1.459
local terms energy: -454.454673
where:
bonds (distance) C4'-P energy: -103.127
bonds (distance) P-C4' energy: -96.265
flat angles C4'-P-C4' energy: -111.803
flat angles P-C4'-P energy: -68.241
tors. eta vs tors. theta energy: -75.019
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -984.819701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.819701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.819701 (E_RNA)
where:
Base-Base interactions energy: -554.996
where: short stacking energy: -276.399
Base-Backbone interact. energy: -0.073
local terms energy: -429.750777
where:
bonds (distance) C4'-P energy: -112.005
bonds (distance) P-C4' energy: -111.349
flat angles C4'-P-C4' energy: -96.885
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -57.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -632.889873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.889873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.889873 (E_RNA)
where:
Base-Base interactions energy: -312.987
where: short stacking energy: -200.407
Base-Backbone interact. energy: 2.519
local terms energy: -322.421726
where:
bonds (distance) C4'-P energy: -107.617
bonds (distance) P-C4' energy: -106.561
flat angles C4'-P-C4' energy: -54.622
flat angles P-C4'-P energy: -50.356
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -519.736524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.736524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.736524 (E_RNA)
where:
Base-Base interactions energy: -178.148
where: short stacking energy: -132.171
Base-Backbone interact. energy: 3.614
local terms energy: -345.201946
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -126.856
flat angles C4'-P-C4' energy: -88.065
flat angles P-C4'-P energy: -52.717
tors. eta vs tors. theta energy: 23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2095.761646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.761646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.761646 (E_RNA)
where:
Base-Base interactions energy: -1418.251
where: short stacking energy: -605.454
Base-Backbone interact. energy: -2.750
local terms energy: -674.760513
where:
bonds (distance) C4'-P energy: -116.716
bonds (distance) P-C4' energy: -140.015
flat angles C4'-P-C4' energy: -152.005
flat angles P-C4'-P energy: -88.427
tors. eta vs tors. theta energy: -177.598
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1952.989283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.989283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.989283 (E_RNA)
where:
Base-Base interactions energy: -1325.091
where: short stacking energy: -576.446
Base-Backbone interact. energy: -7.122
local terms energy: -620.776056
where:
bonds (distance) C4'-P energy: -109.630
bonds (distance) P-C4' energy: -126.814
flat angles C4'-P-C4' energy: -138.307
flat angles P-C4'-P energy: -93.747
tors. eta vs tors. theta energy: -152.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1818.925860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.925860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.925860 (E_RNA)
where:
Base-Base interactions energy: -1235.203
where: short stacking energy: -520.137
Base-Backbone interact. energy: -4.020
local terms energy: -579.702847
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -124.163
flat angles C4'-P-C4' energy: -133.478
flat angles P-C4'-P energy: -83.572
tors. eta vs tors. theta energy: -131.412
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: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1701.105071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.105071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.105071 (E_RNA)
where:
Base-Base interactions energy: -1132.426
where: short stacking energy: -507.895
Base-Backbone interact. energy: -2.477
local terms energy: -566.202064
where:
bonds (distance) C4'-P energy: -114.808
bonds (distance) P-C4' energy: -110.664
flat angles C4'-P-C4' energy: -133.325
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -125.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1616.013044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.013044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.013044 (E_RNA)
where:
Base-Base interactions energy: -1088.654
where: short stacking energy: -478.869
Base-Backbone interact. energy: 5.072
local terms energy: -532.431486
where:
bonds (distance) C4'-P energy: -107.160
bonds (distance) P-C4' energy: -121.760
flat angles C4'-P-C4' energy: -102.596
flat angles P-C4'-P energy: -68.771
tors. eta vs tors. theta energy: -132.144
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: 99
Temperature: 1.150000
Total energy: -1483.242653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.242653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.242653 (E_RNA)
where:
Base-Base interactions energy: -968.526
where: short stacking energy: -455.531
Base-Backbone interact. energy: 1.734
local terms energy: -516.450966
where:
bonds (distance) C4'-P energy: -105.995
bonds (distance) P-C4' energy: -109.535
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -68.251
tors. eta vs tors. theta energy: -118.893
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: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1158.803569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.803569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.803569 (E_RNA)
where:
Base-Base interactions energy: -699.738
where: short stacking energy: -314.852
Base-Backbone interact. energy: 1.153
local terms energy: -460.218768
where:
bonds (distance) C4'-P energy: -103.685
bonds (distance) P-C4' energy: -106.102
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -86.203
tors. eta vs tors. theta energy: -56.931
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: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -966.418822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.418822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.418822 (E_RNA)
where:
Base-Base interactions energy: -545.587
where: short stacking energy: -282.565
Base-Backbone interact. energy: -2.528
local terms energy: -418.303995
where:
bonds (distance) C4'-P energy: -90.945
bonds (distance) P-C4' energy: -102.137
flat angles C4'-P-C4' energy: -112.664
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -662.228955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.228955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.228955 (E_RNA)
where:
Base-Base interactions energy: -327.833
where: short stacking energy: -200.430
Base-Backbone interact. energy: -1.758
local terms energy: -332.638069
where:
bonds (distance) C4'-P energy: -73.081
bonds (distance) P-C4' energy: -110.247
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: 4.347
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: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -520.584964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.584964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.584964 (E_RNA)
where:
Base-Base interactions energy: -195.898
where: short stacking energy: -135.453
Base-Backbone interact. energy: 3.309
local terms energy: -327.996531
where:
bonds (distance) C4'-P energy: -97.655
bonds (distance) P-C4' energy: -101.844
flat angles C4'-P-C4' energy: -90.361
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: 13.884
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: 100
Temperature: 0.900000
Total energy: -2055.575871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.575871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.575871 (E_RNA)
where:
Base-Base interactions energy: -1386.089
where: short stacking energy: -609.924
Base-Backbone interact. energy: -5.486
local terms energy: -664.000960
where:
bonds (distance) C4'-P energy: -126.077
bonds (distance) P-C4' energy: -134.259
flat angles C4'-P-C4' energy: -148.507
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -172.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1953.445574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.445574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.445574 (E_RNA)
where:
Base-Base interactions energy: -1334.028
where: short stacking energy: -554.539
Base-Backbone interact. energy: -2.599
local terms energy: -616.818105
where:
bonds (distance) C4'-P energy: -119.053
bonds (distance) P-C4' energy: -121.026
flat angles C4'-P-C4' energy: -136.103
flat angles P-C4'-P energy: -92.925
tors. eta vs tors. theta energy: -147.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1832.181726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.181726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.181726 (E_RNA)
where:
Base-Base interactions energy: -1232.626
where: short stacking energy: -537.696
Base-Backbone interact. energy: -4.959
local terms energy: -594.596106
where:
bonds (distance) C4'-P energy: -114.955
bonds (distance) P-C4' energy: -111.981
flat angles C4'-P-C4' energy: -138.003
flat angles P-C4'-P energy: -89.886
tors. eta vs tors. theta energy: -139.772
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: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1699.301187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.301187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.301187 (E_RNA)
where:
Base-Base interactions energy: -1145.891
where: short stacking energy: -504.425
Base-Backbone interact. energy: -1.476
local terms energy: -551.934621
where:
bonds (distance) C4'-P energy: -113.490
bonds (distance) P-C4' energy: -122.471
flat angles C4'-P-C4' energy: -127.947
flat angles P-C4'-P energy: -63.998
tors. eta vs tors. theta energy: -124.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1649.004034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.004034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.004034 (E_RNA)
where:
Base-Base interactions energy: -1099.707
where: short stacking energy: -467.905
Base-Backbone interact. energy: -2.438
local terms energy: -546.859075
where:
bonds (distance) C4'-P energy: -106.648
bonds (distance) P-C4' energy: -120.263
flat angles C4'-P-C4' energy: -134.912
flat angles P-C4'-P energy: -69.542
tors. eta vs tors. theta energy: -115.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1451.006834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.006834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.006834 (E_RNA)
where:
Base-Base interactions energy: -947.209
where: short stacking energy: -444.236
Base-Backbone interact. energy: -0.354
local terms energy: -503.444547
where:
bonds (distance) C4'-P energy: -97.043
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -116.263
flat angles P-C4'-P energy: -62.072
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: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1257.505905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.505905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.505905 (E_RNA)
where:
Base-Base interactions energy: -792.379
where: short stacking energy: -384.444
Base-Backbone interact. energy: 2.995
local terms energy: -468.121936
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -107.359
flat angles C4'-P-C4' energy: -103.246
flat angles P-C4'-P energy: -72.926
tors. eta vs tors. theta energy: -80.525
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: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -993.479291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.479291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.479291 (E_RNA)
where:
Base-Base interactions energy: -576.878
where: short stacking energy: -300.303
Base-Backbone interact. energy: 1.432
local terms energy: -418.033783
where:
bonds (distance) C4'-P energy: -115.868
bonds (distance) P-C4' energy: -109.857
flat angles C4'-P-C4' energy: -98.646
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -46.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -656.548036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.548036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.548036 (E_RNA)
where:
Base-Base interactions energy: -306.040
where: short stacking energy: -182.670
Base-Backbone interact. energy: 1.199
local terms energy: -351.706966
where:
bonds (distance) C4'-P energy: -90.407
bonds (distance) P-C4' energy: -117.589
flat angles C4'-P-C4' energy: -95.356
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -491.248747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.248747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.248747 (E_RNA)
where:
Base-Base interactions energy: -181.610
where: short stacking energy: -148.141
Base-Backbone interact. energy: -1.323
local terms energy: -308.315241
where:
bonds (distance) C4'-P energy: -88.973
bonds (distance) P-C4' energy: -108.231
flat angles C4'-P-C4' energy: -91.446
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: 18.940
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: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2111.869946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.869946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.869946 (E_RNA)
where:
Base-Base interactions energy: -1428.435
where: short stacking energy: -626.159
Base-Backbone interact. energy: -6.319
local terms energy: -677.115291
where:
bonds (distance) C4'-P energy: -141.058
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -141.065
flat angles P-C4'-P energy: -92.948
tors. eta vs tors. theta energy: -179.927
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1963.816113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.816113 (E_RNA)
where:
Base-Base interactions energy: -1339.031
where: short stacking energy: -563.219
Base-Backbone interact. energy: -1.485
local terms energy: -623.300879
where:
bonds (distance) C4'-P energy: -123.588
bonds (distance) P-C4' energy: -121.752
flat angles C4'-P-C4' energy: -138.903
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -157.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1831.650216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.650216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.650216 (E_RNA)
where:
Base-Base interactions energy: -1242.917
where: short stacking energy: -562.844
Base-Backbone interact. energy: -2.136
local terms energy: -586.596449
where:
bonds (distance) C4'-P energy: -118.809
bonds (distance) P-C4' energy: -107.270
flat angles C4'-P-C4' energy: -135.539
flat angles P-C4'-P energy: -86.191
tors. eta vs tors. theta energy: -138.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1739.077603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.077603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.077603 (E_RNA)
where:
Base-Base interactions energy: -1192.992
where: short stacking energy: -498.503
Base-Backbone interact. energy: -4.729
local terms energy: -541.356055
where:
bonds (distance) C4'-P energy: -102.217
bonds (distance) P-C4' energy: -110.573
flat angles C4'-P-C4' energy: -131.082
flat angles P-C4'-P energy: -74.664
tors. eta vs tors. theta energy: -122.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1676.171731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.171731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.171731 (E_RNA)
where:
Base-Base interactions energy: -1125.617
where: short stacking energy: -506.997
Base-Backbone interact. energy: -7.778
local terms energy: -542.777072
where:
bonds (distance) C4'-P energy: -102.536
bonds (distance) P-C4' energy: -108.061
flat angles C4'-P-C4' energy: -117.179
flat angles P-C4'-P energy: -77.049
tors. eta vs tors. theta energy: -137.953
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: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1507.948858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.948858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.948858 (E_RNA)
where:
Base-Base interactions energy: -963.337
where: short stacking energy: -442.580
Base-Backbone interact. energy: -3.027
local terms energy: -541.584550
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -132.233
flat angles C4'-P-C4' energy: -118.136
flat angles P-C4'-P energy: -72.506
tors. eta vs tors. theta energy: -117.577
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1261.769079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.769079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.769079 (E_RNA)
where:
Base-Base interactions energy: -783.590
where: short stacking energy: -374.442
Base-Backbone interact. energy: -2.663
local terms energy: -475.516260
where:
bonds (distance) C4'-P energy: -111.706
bonds (distance) P-C4' energy: -110.319
flat angles C4'-P-C4' energy: -121.463
flat angles P-C4'-P energy: -49.739
tors. eta vs tors. theta energy: -82.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -969.236369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.236369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.236369 (E_RNA)
where:
Base-Base interactions energy: -551.464
where: short stacking energy: -285.898
Base-Backbone interact. energy: -2.351
local terms energy: -415.421953
where:
bonds (distance) C4'-P energy: -97.883
bonds (distance) P-C4' energy: -91.242
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -65.694
tors. eta vs tors. theta energy: -49.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -650.088743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.088743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.088743 (E_RNA)
where:
Base-Base interactions energy: -318.388
where: short stacking energy: -202.448
Base-Backbone interact. energy: 2.258
local terms energy: -333.959493
where:
bonds (distance) C4'-P energy: -107.385
bonds (distance) P-C4' energy: -82.344
flat angles C4'-P-C4' energy: -87.768
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: 6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -523.851931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.851931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.851931 (E_RNA)
where:
Base-Base interactions energy: -207.910
where: short stacking energy: -172.441
Base-Backbone interact. energy: 3.446
local terms energy: -319.388317
where:
bonds (distance) C4'-P energy: -96.665
bonds (distance) P-C4' energy: -111.355
flat angles C4'-P-C4' energy: -86.866
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: 21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2107.073270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.073270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.073270 (E_RNA)
where:
Base-Base interactions energy: -1443.502
where: short stacking energy: -585.312
Base-Backbone interact. energy: -7.186
local terms energy: -656.385309
where:
bonds (distance) C4'-P energy: -119.659
bonds (distance) P-C4' energy: -124.534
flat angles C4'-P-C4' energy: -141.941
flat angles P-C4'-P energy: -90.241
tors. eta vs tors. theta energy: -180.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1970.919007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.919007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.919007 (E_RNA)
where:
Base-Base interactions energy: -1361.778
where: short stacking energy: -561.353
Base-Backbone interact. energy: -5.467
local terms energy: -603.674725
where:
bonds (distance) C4'-P energy: -122.564
bonds (distance) P-C4' energy: -117.732
flat angles C4'-P-C4' energy: -133.045
flat angles P-C4'-P energy: -83.032
tors. eta vs tors. theta energy: -147.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1864.743625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.743625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.743625 (E_RNA)
where:
Base-Base interactions energy: -1239.611
where: short stacking energy: -561.742
Base-Backbone interact. energy: -0.885
local terms energy: -624.247612
where:
bonds (distance) C4'-P energy: -119.189
bonds (distance) P-C4' energy: -126.866
flat angles C4'-P-C4' energy: -144.660
flat angles P-C4'-P energy: -85.707
tors. eta vs tors. theta energy: -147.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1771.193643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.193643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.193643 (E_RNA)
where:
Base-Base interactions energy: -1206.969
where: short stacking energy: -516.977
Base-Backbone interact. energy: -1.741
local terms energy: -562.483112
where:
bonds (distance) C4'-P energy: -116.231
bonds (distance) P-C4' energy: -126.786
flat angles C4'-P-C4' energy: -114.742
flat angles P-C4'-P energy: -73.621
tors. eta vs tors. theta energy: -131.104
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1699.746281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.746281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.746281 (E_RNA)
where:
Base-Base interactions energy: -1134.844
where: short stacking energy: -475.105
Base-Backbone interact. energy: -5.014
local terms energy: -559.888132
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -122.551
flat angles C4'-P-C4' energy: -126.863
flat angles P-C4'-P energy: -79.517
tors. eta vs tors. theta energy: -128.206
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1490.314184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.314184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.314184 (E_RNA)
where:
Base-Base interactions energy: -967.934
where: short stacking energy: -446.214
Base-Backbone interact. energy: -2.185
local terms energy: -520.195538
where:
bonds (distance) C4'-P energy: -102.713
bonds (distance) P-C4' energy: -120.286
flat angles C4'-P-C4' energy: -114.464
flat angles P-C4'-P energy: -81.416
tors. eta vs tors. theta energy: -101.317
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: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1207.291209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.291209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.291209 (E_RNA)
where:
Base-Base interactions energy: -755.129
where: short stacking energy: -364.896
Base-Backbone interact. energy: -1.927
local terms energy: -450.234705
where:
bonds (distance) C4'-P energy: -84.842
bonds (distance) P-C4' energy: -94.069
flat angles C4'-P-C4' energy: -120.290
flat angles P-C4'-P energy: -68.987
tors. eta vs tors. theta energy: -82.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -966.266828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.266828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.266828 (E_RNA)
where:
Base-Base interactions energy: -538.455
where: short stacking energy: -268.516
Base-Backbone interact. energy: -0.499
local terms energy: -427.312559
where:
bonds (distance) C4'-P energy: -125.211
bonds (distance) P-C4' energy: -114.734
flat angles C4'-P-C4' energy: -78.680
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -38.504
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: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -598.643374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.643374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.643374 (E_RNA)
where:
Base-Base interactions energy: -241.698
where: short stacking energy: -167.853
Base-Backbone interact. energy: -2.352
local terms energy: -354.593109
where:
bonds (distance) C4'-P energy: -87.240
bonds (distance) P-C4' energy: -105.264
flat angles C4'-P-C4' energy: -104.703
flat angles P-C4'-P energy: -65.277
tors. eta vs tors. theta energy: 7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -487.577609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.577609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.577609 (E_RNA)
where:
Base-Base interactions energy: -212.644
where: short stacking energy: -144.144
Base-Backbone interact. energy: 2.503
local terms energy: -277.437367
where:
bonds (distance) C4'-P energy: -90.272
bonds (distance) P-C4' energy: -108.223
flat angles C4'-P-C4' energy: -72.052
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: 33.651
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: 103
Temperature: 0.900000
Total energy: -2088.223551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.223551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.223551 (E_RNA)
where:
Base-Base interactions energy: -1431.337
where: short stacking energy: -597.211
Base-Backbone interact. energy: -5.003
local terms energy: -651.883405
where:
bonds (distance) C4'-P energy: -132.886
bonds (distance) P-C4' energy: -114.703
flat angles C4'-P-C4' energy: -134.078
flat angles P-C4'-P energy: -94.744
tors. eta vs tors. theta energy: -175.473
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: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1968.408727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.408727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.408727 (E_RNA)
where:
Base-Base interactions energy: -1359.206
where: short stacking energy: -570.535
Base-Backbone interact. energy: -3.428
local terms energy: -605.774673
where:
bonds (distance) C4'-P energy: -110.698
bonds (distance) P-C4' energy: -129.555
flat angles C4'-P-C4' energy: -142.201
flat angles P-C4'-P energy: -82.818
tors. eta vs tors. theta energy: -140.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1915.114562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.114562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.114562 (E_RNA)
where:
Base-Base interactions energy: -1289.542
where: short stacking energy: -584.132
Base-Backbone interact. energy: -1.054
local terms energy: -624.518740
where:
bonds (distance) C4'-P energy: -138.106
bonds (distance) P-C4' energy: -120.406
flat angles C4'-P-C4' energy: -137.341
flat angles P-C4'-P energy: -84.329
tors. eta vs tors. theta energy: -144.337
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: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1769.121073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.121073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.121073 (E_RNA)
where:
Base-Base interactions energy: -1217.575
where: short stacking energy: -519.481
Base-Backbone interact. energy: -4.053
local terms energy: -547.492782
where:
bonds (distance) C4'-P energy: -110.354
bonds (distance) P-C4' energy: -119.841
flat angles C4'-P-C4' energy: -129.049
flat angles P-C4'-P energy: -67.685
tors. eta vs tors. theta energy: -120.564
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: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1591.941478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.941478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.941478 (E_RNA)
where:
Base-Base interactions energy: -1049.498
where: short stacking energy: -443.137
Base-Backbone interact. energy: -5.158
local terms energy: -537.285741
where:
bonds (distance) C4'-P energy: -110.388
bonds (distance) P-C4' energy: -119.499
flat angles C4'-P-C4' energy: -116.576
flat angles P-C4'-P energy: -74.934
tors. eta vs tors. theta energy: -115.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1515.977113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.977113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.977113 (E_RNA)
where:
Base-Base interactions energy: -999.967
where: short stacking energy: -452.832
Base-Backbone interact. energy: -2.800
local terms energy: -513.210249
where:
bonds (distance) C4'-P energy: -113.661
bonds (distance) P-C4' energy: -111.372
flat angles C4'-P-C4' energy: -113.055
flat angles P-C4'-P energy: -64.148
tors. eta vs tors. theta energy: -110.975
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1209.822268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.822268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.822268 (E_RNA)
where:
Base-Base interactions energy: -776.825
where: short stacking energy: -346.395
Base-Backbone interact. energy: -0.255
local terms energy: -432.743029
where:
bonds (distance) C4'-P energy: -93.973
bonds (distance) P-C4' energy: -100.878
flat angles C4'-P-C4' energy: -104.215
flat angles P-C4'-P energy: -66.861
tors. eta vs tors. theta energy: -66.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -964.387092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.387092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.387092 (E_RNA)
where:
Base-Base interactions energy: -571.119
where: short stacking energy: -305.721
Base-Backbone interact. energy: 6.028
local terms energy: -399.296218
where:
bonds (distance) C4'-P energy: -87.413
bonds (distance) P-C4' energy: -86.598
flat angles C4'-P-C4' energy: -104.387
flat angles P-C4'-P energy: -75.599
tors. eta vs tors. theta energy: -45.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -614.300235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.300235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.300235 (E_RNA)
where:
Base-Base interactions energy: -263.436
where: short stacking energy: -182.217
Base-Backbone interact. energy: 0.943
local terms energy: -351.807103
where:
bonds (distance) C4'-P energy: -110.139
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -94.436
flat angles P-C4'-P energy: -59.031
tors. eta vs tors. theta energy: 13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -506.437566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.437566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.437566 (E_RNA)
where:
Base-Base interactions energy: -185.209
where: short stacking energy: -156.802
Base-Backbone interact. energy: 3.050
local terms energy: -324.278662
where:
bonds (distance) C4'-P energy: -88.160
bonds (distance) P-C4' energy: -113.331
flat angles C4'-P-C4' energy: -87.578
flat angles P-C4'-P energy: -49.567
tors. eta vs tors. theta energy: 14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2109.566702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.566702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.566702 (E_RNA)
where:
Base-Base interactions energy: -1460.414
where: short stacking energy: -594.180
Base-Backbone interact. energy: -5.643
local terms energy: -643.510067
where:
bonds (distance) C4'-P energy: -126.864
bonds (distance) P-C4' energy: -116.415
flat angles C4'-P-C4' energy: -142.155
flat angles P-C4'-P energy: -87.934
tors. eta vs tors. theta energy: -170.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1978.802160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.802160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.802160 (E_RNA)
where:
Base-Base interactions energy: -1338.938
where: short stacking energy: -573.710
Base-Backbone interact. energy: 0.242
local terms energy: -640.106032
where:
bonds (distance) C4'-P energy: -117.996
bonds (distance) P-C4' energy: -133.448
flat angles C4'-P-C4' energy: -136.467
flat angles P-C4'-P energy: -98.391
tors. eta vs tors. theta energy: -153.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1888.304690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.304690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.304690 (E_RNA)
where:
Base-Base interactions energy: -1282.766
where: short stacking energy: -543.013
Base-Backbone interact. energy: -0.920
local terms energy: -604.618778
where:
bonds (distance) C4'-P energy: -120.425
bonds (distance) P-C4' energy: -123.193
flat angles C4'-P-C4' energy: -134.527
flat angles P-C4'-P energy: -87.012
tors. eta vs tors. theta energy: -139.461
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: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1790.377699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.377699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.377699 (E_RNA)
where:
Base-Base interactions energy: -1230.533
where: short stacking energy: -531.120
Base-Backbone interact. energy: 1.024
local terms energy: -560.868501
where:
bonds (distance) C4'-P energy: -114.781
bonds (distance) P-C4' energy: -111.528
flat angles C4'-P-C4' energy: -125.271
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -127.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1674.275471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.275471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.275471 (E_RNA)
where:
Base-Base interactions energy: -1130.696
where: short stacking energy: -450.315
Base-Backbone interact. energy: -4.211
local terms energy: -539.368481
where:
bonds (distance) C4'-P energy: -105.315
bonds (distance) P-C4' energy: -99.444
flat angles C4'-P-C4' energy: -125.053
flat angles P-C4'-P energy: -80.870
tors. eta vs tors. theta energy: -128.687
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: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1510.154013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.154013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.154013 (E_RNA)
where:
Base-Base interactions energy: -1011.412
where: short stacking energy: -451.768
Base-Backbone interact. energy: -1.105
local terms energy: -497.637004
where:
bonds (distance) C4'-P energy: -103.820
bonds (distance) P-C4' energy: -113.550
flat angles C4'-P-C4' energy: -127.152
flat angles P-C4'-P energy: -61.288
tors. eta vs tors. theta energy: -91.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1168.854590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.854590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.854590 (E_RNA)
where:
Base-Base interactions energy: -709.257
where: short stacking energy: -330.677
Base-Backbone interact. energy: -0.357
local terms energy: -459.241152
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -104.790
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -64.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1008.468510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.468510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.468510 (E_RNA)
where:
Base-Base interactions energy: -572.560
where: short stacking energy: -288.649
Base-Backbone interact. energy: -3.625
local terms energy: -432.283398
where:
bonds (distance) C4'-P energy: -101.835
bonds (distance) P-C4' energy: -106.673
flat angles C4'-P-C4' energy: -109.590
flat angles P-C4'-P energy: -70.203
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -561.841517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.841517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.841517 (E_RNA)
where:
Base-Base interactions energy: -182.705
where: short stacking energy: -152.403
Base-Backbone interact. energy: -0.980
local terms energy: -378.156594
where:
bonds (distance) C4'-P energy: -94.683
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -99.166
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -609.223573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.223573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.223573 (E_RNA)
where:
Base-Base interactions energy: -287.908
where: short stacking energy: -170.431
Base-Backbone interact. energy: 3.477
local terms energy: -324.792608
where:
bonds (distance) C4'-P energy: -91.493
bonds (distance) P-C4' energy: -111.873
flat angles C4'-P-C4' energy: -85.789
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: 9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2104.507671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.507671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.507671 (E_RNA)
where:
Base-Base interactions energy: -1443.800
where: short stacking energy: -577.354
Base-Backbone interact. energy: -4.346
local terms energy: -656.361805
where:
bonds (distance) C4'-P energy: -136.884
bonds (distance) P-C4' energy: -115.505
flat angles C4'-P-C4' energy: -135.404
flat angles P-C4'-P energy: -95.851
tors. eta vs tors. theta energy: -172.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2003.116768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.116768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.116768 (E_RNA)
where:
Base-Base interactions energy: -1389.188
where: short stacking energy: -589.670
Base-Backbone interact. energy: -1.528
local terms energy: -612.400339
where:
bonds (distance) C4'-P energy: -118.105
bonds (distance) P-C4' energy: -117.652
flat angles C4'-P-C4' energy: -135.207
flat angles P-C4'-P energy: -90.174
tors. eta vs tors. theta energy: -151.263
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: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1882.531912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.531912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.531912 (E_RNA)
where:
Base-Base interactions energy: -1299.135
where: short stacking energy: -543.689
Base-Backbone interact. energy: -0.721
local terms energy: -582.675709
where:
bonds (distance) C4'-P energy: -112.688
bonds (distance) P-C4' energy: -115.852
flat angles C4'-P-C4' energy: -121.554
flat angles P-C4'-P energy: -85.865
tors. eta vs tors. theta energy: -146.716
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: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1780.289764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.289764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.289764 (E_RNA)
where:
Base-Base interactions energy: -1214.278
where: short stacking energy: -509.613
Base-Backbone interact. energy: -3.925
local terms energy: -562.086969
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -137.079
flat angles C4'-P-C4' energy: -122.957
flat angles P-C4'-P energy: -79.891
tors. eta vs tors. theta energy: -119.147
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1658.919573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.919573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.919573 (E_RNA)
where:
Base-Base interactions energy: -1128.769
where: short stacking energy: -473.648
Base-Backbone interact. energy: 1.296
local terms energy: -531.446580
where:
bonds (distance) C4'-P energy: -104.374
bonds (distance) P-C4' energy: -110.058
flat angles C4'-P-C4' energy: -114.893
flat angles P-C4'-P energy: -83.587
tors. eta vs tors. theta energy: -118.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1570.652794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.652794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.652794 (E_RNA)
where:
Base-Base interactions energy: -1058.806
where: short stacking energy: -487.459
Base-Backbone interact. energy: -1.708
local terms energy: -510.138049
where:
bonds (distance) C4'-P energy: -89.204
bonds (distance) P-C4' energy: -91.373
flat angles C4'-P-C4' energy: -124.151
flat angles P-C4'-P energy: -91.483
tors. eta vs tors. theta energy: -113.927
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: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1157.168623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.168623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.168623 (E_RNA)
where:
Base-Base interactions energy: -685.726
where: short stacking energy: -325.479
Base-Backbone interact. energy: -1.121
local terms energy: -470.321759
where:
bonds (distance) C4'-P energy: -102.647
bonds (distance) P-C4' energy: -124.437
flat angles C4'-P-C4' energy: -109.154
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -64.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1028.995177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.995177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.995177 (E_RNA)
where:
Base-Base interactions energy: -626.044
where: short stacking energy: -293.805
Base-Backbone interact. energy: 0.515
local terms energy: -403.466047
where:
bonds (distance) C4'-P energy: -121.531
bonds (distance) P-C4' energy: -100.951
flat angles C4'-P-C4' energy: -91.600
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -38.307
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: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -555.648743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.648743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.648743 (E_RNA)
where:
Base-Base interactions energy: -223.305
where: short stacking energy: -164.612
Base-Backbone interact. energy: 1.597
local terms energy: -333.941100
where:
bonds (distance) C4'-P energy: -107.467
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -94.586
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: 28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -559.667536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.667536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.667536 (E_RNA)
where:
Base-Base interactions energy: -233.585
where: short stacking energy: -166.581
Base-Backbone interact. energy: 0.009
local terms energy: -326.091308
where:
bonds (distance) C4'-P energy: -104.812
bonds (distance) P-C4' energy: -109.777
flat angles C4'-P-C4' energy: -83.141
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: 14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2102.185684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.185684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.185684 (E_RNA)
where:
Base-Base interactions energy: -1455.266
where: short stacking energy: -620.141
Base-Backbone interact. energy: -3.901
local terms energy: -643.018058
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -111.787
flat angles C4'-P-C4' energy: -151.247
flat angles P-C4'-P energy: -97.206
tors. eta vs tors. theta energy: -171.463
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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2008.236503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.236503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.236503 (E_RNA)
where:
Base-Base interactions energy: -1368.777
where: short stacking energy: -586.457
Base-Backbone interact. energy: 1.136
local terms energy: -640.595916
where:
bonds (distance) C4'-P energy: -117.613
bonds (distance) P-C4' energy: -125.265
flat angles C4'-P-C4' energy: -145.252
flat angles P-C4'-P energy: -89.924
tors. eta vs tors. theta energy: -162.541
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1861.096938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.096938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.096938 (E_RNA)
where:
Base-Base interactions energy: -1286.580
where: short stacking energy: -544.186
Base-Backbone interact. energy: -6.405
local terms energy: -568.111112
where:
bonds (distance) C4'-P energy: -102.573
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -130.561
flat angles P-C4'-P energy: -83.724
tors. eta vs tors. theta energy: -140.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1751.425050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.425050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.425050 (E_RNA)
where:
Base-Base interactions energy: -1175.099
where: short stacking energy: -482.744
Base-Backbone interact. energy: 1.403
local terms energy: -577.728970
where:
bonds (distance) C4'-P energy: -116.127
bonds (distance) P-C4' energy: -128.582
flat angles C4'-P-C4' energy: -129.040
flat angles P-C4'-P energy: -88.919
tors. eta vs tors. theta energy: -115.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1672.880562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.880562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.880562 (E_RNA)
where:
Base-Base interactions energy: -1116.576
where: short stacking energy: -450.164
Base-Backbone interact. energy: -2.012
local terms energy: -554.293210
where:
bonds (distance) C4'-P energy: -98.571
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -124.908
flat angles P-C4'-P energy: -79.361
tors. eta vs tors. theta energy: -126.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1544.248818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.248818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.248818 (E_RNA)
where:
Base-Base interactions energy: -997.002
where: short stacking energy: -471.551
Base-Backbone interact. energy: 0.047
local terms energy: -547.294570
where:
bonds (distance) C4'-P energy: -91.147
bonds (distance) P-C4' energy: -108.086
flat angles C4'-P-C4' energy: -126.469
flat angles P-C4'-P energy: -101.098
tors. eta vs tors. theta energy: -120.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1156.211637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.211637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.211637 (E_RNA)
where:
Base-Base interactions energy: -690.814
where: short stacking energy: -323.296
Base-Backbone interact. energy: -0.886
local terms energy: -464.512018
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -116.167
flat angles P-C4'-P energy: -67.636
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -999.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.487865 (E_RNA)
where:
Base-Base interactions energy: -580.960
where: short stacking energy: -287.035
Base-Backbone interact. energy: 2.083
local terms energy: -420.610356
where:
bonds (distance) C4'-P energy: -96.748
bonds (distance) P-C4' energy: -105.731
flat angles C4'-P-C4' energy: -104.675
flat angles P-C4'-P energy: -65.181
tors. eta vs tors. theta energy: -48.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -547.982030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.982030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.982030 (E_RNA)
where:
Base-Base interactions energy: -203.167
where: short stacking energy: -152.371
Base-Backbone interact. energy: 4.277
local terms energy: -349.092662
where:
bonds (distance) C4'-P energy: -85.535
bonds (distance) P-C4' energy: -108.477
flat angles C4'-P-C4' energy: -116.579
flat angles P-C4'-P energy: -49.655
tors. eta vs tors. theta energy: 11.154
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: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -504.833989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.833989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.833989 (E_RNA)
where:
Base-Base interactions energy: -158.047
where: short stacking energy: -122.470
Base-Backbone interact. energy: 1.529
local terms energy: -348.315425
where:
bonds (distance) C4'-P energy: -108.834
bonds (distance) P-C4' energy: -125.433
flat angles C4'-P-C4' energy: -103.330
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: 26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2089.486255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.486255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.486255 (E_RNA)
where:
Base-Base interactions energy: -1421.169
where: short stacking energy: -581.438
Base-Backbone interact. energy: -3.994
local terms energy: -664.323075
where:
bonds (distance) C4'-P energy: -129.236
bonds (distance) P-C4' energy: -120.878
flat angles C4'-P-C4' energy: -146.991
flat angles P-C4'-P energy: -91.489
tors. eta vs tors. theta energy: -175.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1968.718424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.718424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.718424 (E_RNA)
where:
Base-Base interactions energy: -1345.040
where: short stacking energy: -542.951
Base-Backbone interact. energy: -4.141
local terms energy: -619.537014
where:
bonds (distance) C4'-P energy: -118.824
bonds (distance) P-C4' energy: -123.268
flat angles C4'-P-C4' energy: -141.872
flat angles P-C4'-P energy: -94.090
tors. eta vs tors. theta energy: -141.482
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1911.114843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.114843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.114843 (E_RNA)
where:
Base-Base interactions energy: -1306.851
where: short stacking energy: -573.392
Base-Backbone interact. energy: -3.672
local terms energy: -600.591548
where:
bonds (distance) C4'-P energy: -123.118
bonds (distance) P-C4' energy: -101.779
flat angles C4'-P-C4' energy: -142.870
flat angles P-C4'-P energy: -85.925
tors. eta vs tors. theta energy: -146.899
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: 107
Temperature: 1.050000
Total energy: -1806.046224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.046224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.046224 (E_RNA)
where:
Base-Base interactions energy: -1216.574
where: short stacking energy: -526.667
Base-Backbone interact. energy: -1.060
local terms energy: -588.412856
where:
bonds (distance) C4'-P energy: -106.593
bonds (distance) P-C4' energy: -121.939
flat angles C4'-P-C4' energy: -129.857
flat angles P-C4'-P energy: -90.735
tors. eta vs tors. theta energy: -139.290
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: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1680.575255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.575255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.575255 (E_RNA)
where:
Base-Base interactions energy: -1110.754
where: short stacking energy: -499.568
Base-Backbone interact. energy: -4.813
local terms energy: -565.007344
where:
bonds (distance) C4'-P energy: -103.260
bonds (distance) P-C4' energy: -116.686
flat angles C4'-P-C4' energy: -122.093
flat angles P-C4'-P energy: -88.021
tors. eta vs tors. theta energy: -134.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1586.865726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.865726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.865726 (E_RNA)
where:
Base-Base interactions energy: -1020.266
where: short stacking energy: -459.299
Base-Backbone interact. energy: 2.178
local terms energy: -568.777275
where:
bonds (distance) C4'-P energy: -121.976
bonds (distance) P-C4' energy: -131.805
flat angles C4'-P-C4' energy: -129.105
flat angles P-C4'-P energy: -78.875
tors. eta vs tors. theta energy: -107.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1228.924576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.924576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.924576 (E_RNA)
where:
Base-Base interactions energy: -769.737
where: short stacking energy: -351.241
Base-Backbone interact. energy: -0.044
local terms energy: -459.143906
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -112.476
flat angles C4'-P-C4' energy: -114.684
flat angles P-C4'-P energy: -63.084
tors. eta vs tors. theta energy: -75.871
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: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1031.350345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.350345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.350345 (E_RNA)
where:
Base-Base interactions energy: -606.148
where: short stacking energy: -284.595
Base-Backbone interact. energy: 4.433
local terms energy: -429.635012
where:
bonds (distance) C4'-P energy: -108.637
bonds (distance) P-C4' energy: -103.393
flat angles C4'-P-C4' energy: -102.153
flat angles P-C4'-P energy: -74.952
tors. eta vs tors. theta energy: -40.500
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: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -515.319517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.319517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.319517 (E_RNA)
where:
Base-Base interactions energy: -174.546
where: short stacking energy: -143.546
Base-Backbone interact. energy: 1.227
local terms energy: -342.000350
where:
bonds (distance) C4'-P energy: -102.299
bonds (distance) P-C4' energy: -108.588
flat angles C4'-P-C4' energy: -81.602
flat angles P-C4'-P energy: -47.876
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -467.191990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.191990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.191990 (E_RNA)
where:
Base-Base interactions energy: -157.252
where: short stacking energy: -129.811
Base-Backbone interact. energy: -0.075
local terms energy: -309.864518
where:
bonds (distance) C4'-P energy: -93.812
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -84.268
flat angles P-C4'-P energy: -64.408
tors. eta vs tors. theta energy: 30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2075.829357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.829357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.829357 (E_RNA)
where:
Base-Base interactions energy: -1422.267
where: short stacking energy: -630.065
Base-Backbone interact. energy: 1.089
local terms energy: -654.651133
where:
bonds (distance) C4'-P energy: -129.759
bonds (distance) P-C4' energy: -126.782
flat angles C4'-P-C4' energy: -131.368
flat angles P-C4'-P energy: -95.228
tors. eta vs tors. theta energy: -171.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1962.146038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.146038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.146038 (E_RNA)
where:
Base-Base interactions energy: -1352.226
where: short stacking energy: -546.229
Base-Backbone interact. energy: 0.800
local terms energy: -610.720378
where:
bonds (distance) C4'-P energy: -114.498
bonds (distance) P-C4' energy: -123.541
flat angles C4'-P-C4' energy: -134.671
flat angles P-C4'-P energy: -93.149
tors. eta vs tors. theta energy: -144.861
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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1799.931826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.931826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.931826 (E_RNA)
where:
Base-Base interactions energy: -1224.077
where: short stacking energy: -516.442
Base-Backbone interact. energy: -1.825
local terms energy: -574.029380
where:
bonds (distance) C4'-P energy: -117.849
bonds (distance) P-C4' energy: -108.277
flat angles C4'-P-C4' energy: -128.368
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -140.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1827.703240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.703240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.703240 (E_RNA)
where:
Base-Base interactions energy: -1249.564
where: short stacking energy: -504.031
Base-Backbone interact. energy: -2.978
local terms energy: -575.161737
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -132.284
flat angles P-C4'-P energy: -83.364
tors. eta vs tors. theta energy: -130.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1662.943394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.943394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.943394 (E_RNA)
where:
Base-Base interactions energy: -1111.178
where: short stacking energy: -468.263
Base-Backbone interact. energy: 2.136
local terms energy: -553.901402
where:
bonds (distance) C4'-P energy: -109.582
bonds (distance) P-C4' energy: -107.846
flat angles C4'-P-C4' energy: -138.495
flat angles P-C4'-P energy: -75.958
tors. eta vs tors. theta energy: -122.021
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1519.975395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.975395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.975395 (E_RNA)
where:
Base-Base interactions energy: -974.987
where: short stacking energy: -450.011
Base-Backbone interact. energy: 0.044
local terms energy: -545.032830
where:
bonds (distance) C4'-P energy: -99.821
bonds (distance) P-C4' energy: -129.131
flat angles C4'-P-C4' energy: -126.279
flat angles P-C4'-P energy: -86.600
tors. eta vs tors. theta energy: -103.202
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: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1267.246053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.246053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.246053 (E_RNA)
where:
Base-Base interactions energy: -813.439
where: short stacking energy: -385.584
Base-Backbone interact. energy: 0.734
local terms energy: -454.541764
where:
bonds (distance) C4'-P energy: -104.666
bonds (distance) P-C4' energy: -106.170
flat angles C4'-P-C4' energy: -105.643
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -81.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -986.771876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.771876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.771876 (E_RNA)
where:
Base-Base interactions energy: -531.771
where: short stacking energy: -265.948
Base-Backbone interact. energy: -3.591
local terms energy: -451.409724
where:
bonds (distance) C4'-P energy: -105.843
bonds (distance) P-C4' energy: -125.306
flat angles C4'-P-C4' energy: -96.033
flat angles P-C4'-P energy: -78.981
tors. eta vs tors. theta energy: -45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -549.465392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.465392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.465392 (E_RNA)
where:
Base-Base interactions energy: -188.477
where: short stacking energy: -159.593
Base-Backbone interact. energy: 2.136
local terms energy: -363.123695
where:
bonds (distance) C4'-P energy: -114.058
bonds (distance) P-C4' energy: -105.558
flat angles C4'-P-C4' energy: -104.982
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: 6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -513.570157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.570157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.570157 (E_RNA)
where:
Base-Base interactions energy: -207.655
where: short stacking energy: -160.863
Base-Backbone interact. energy: 0.337
local terms energy: -306.252848
where:
bonds (distance) C4'-P energy: -85.089
bonds (distance) P-C4' energy: -110.121
flat angles C4'-P-C4' energy: -84.400
flat angles P-C4'-P energy: -44.261
tors. eta vs tors. theta energy: 17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2075.877058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.877058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.877058 (E_RNA)
where:
Base-Base interactions energy: -1416.290
where: short stacking energy: -611.570
Base-Backbone interact. energy: -7.360
local terms energy: -652.227347
where:
bonds (distance) C4'-P energy: -121.377
bonds (distance) P-C4' energy: -121.744
flat angles C4'-P-C4' energy: -142.923
flat angles P-C4'-P energy: -92.348
tors. eta vs tors. theta energy: -173.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1993.215681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.215681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.215681 (E_RNA)
where:
Base-Base interactions energy: -1386.613
where: short stacking energy: -592.601
Base-Backbone interact. energy: 1.113
local terms energy: -607.715626
where:
bonds (distance) C4'-P energy: -130.081
bonds (distance) P-C4' energy: -112.430
flat angles C4'-P-C4' energy: -137.583
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -152.050
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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1847.456547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.456547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.456547 (E_RNA)
where:
Base-Base interactions energy: -1246.856
where: short stacking energy: -525.040
Base-Backbone interact. energy: -0.328
local terms energy: -600.272429
where:
bonds (distance) C4'-P energy: -123.069
bonds (distance) P-C4' energy: -116.528
flat angles C4'-P-C4' energy: -137.068
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -143.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1824.167685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.167685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.167685 (E_RNA)
where:
Base-Base interactions energy: -1239.651
where: short stacking energy: -516.250
Base-Backbone interact. energy: -0.765
local terms energy: -583.751517
where:
bonds (distance) C4'-P energy: -108.058
bonds (distance) P-C4' energy: -132.004
flat angles C4'-P-C4' energy: -116.433
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -137.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1680.604666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.604666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.604666 (E_RNA)
where:
Base-Base interactions energy: -1150.055
where: short stacking energy: -486.758
Base-Backbone interact. energy: -4.396
local terms energy: -526.154052
where:
bonds (distance) C4'-P energy: -108.430
bonds (distance) P-C4' energy: -120.884
flat angles C4'-P-C4' energy: -104.025
flat angles P-C4'-P energy: -72.795
tors. eta vs tors. theta energy: -120.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1567.127758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.127758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.127758 (E_RNA)
where:
Base-Base interactions energy: -1048.328
where: short stacking energy: -466.967
Base-Backbone interact. energy: 2.321
local terms energy: -521.120781
where:
bonds (distance) C4'-P energy: -111.650
bonds (distance) P-C4' energy: -100.999
flat angles C4'-P-C4' energy: -118.583
flat angles P-C4'-P energy: -71.205
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1282.142331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.142331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.142331 (E_RNA)
where:
Base-Base interactions energy: -827.119
where: short stacking energy: -393.539
Base-Backbone interact. energy: -2.110
local terms energy: -452.912715
where:
bonds (distance) C4'-P energy: -98.816
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -108.501
flat angles P-C4'-P energy: -69.829
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -990.161781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.161781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.161781 (E_RNA)
where:
Base-Base interactions energy: -548.828
where: short stacking energy: -272.039
Base-Backbone interact. energy: 0.539
local terms energy: -441.872931
where:
bonds (distance) C4'-P energy: -113.780
bonds (distance) P-C4' energy: -127.530
flat angles C4'-P-C4' energy: -97.428
flat angles P-C4'-P energy: -70.670
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -595.132518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.132518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.132518 (E_RNA)
where:
Base-Base interactions energy: -233.534
where: short stacking energy: -183.744
Base-Backbone interact. energy: -0.790
local terms energy: -360.807876
where:
bonds (distance) C4'-P energy: -89.601
bonds (distance) P-C4' energy: -119.288
flat angles C4'-P-C4' energy: -94.017
flat angles P-C4'-P energy: -65.036
tors. eta vs tors. theta energy: 7.133
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: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -477.190089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.190089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.190089 (E_RNA)
where:
Base-Base interactions energy: -165.823
where: short stacking energy: -147.074
Base-Backbone interact. energy: -0.874
local terms energy: -310.492764
where:
bonds (distance) C4'-P energy: -109.359
bonds (distance) P-C4' energy: -122.853
flat angles C4'-P-C4' energy: -63.067
flat angles P-C4'-P energy: -44.294
tors. eta vs tors. theta energy: 29.081
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2061.168176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.168176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.168176 (E_RNA)
where:
Base-Base interactions energy: -1406.916
where: short stacking energy: -589.632
Base-Backbone interact. energy: -7.351
local terms energy: -646.901512
where:
bonds (distance) C4'-P energy: -121.860
bonds (distance) P-C4' energy: -146.093
flat angles C4'-P-C4' energy: -118.780
flat angles P-C4'-P energy: -95.983
tors. eta vs tors. theta energy: -164.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2035.757740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.757740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.757740 (E_RNA)
where:
Base-Base interactions energy: -1387.570
where: short stacking energy: -587.769
Base-Backbone interact. energy: -0.904
local terms energy: -647.283998
where:
bonds (distance) C4'-P energy: -125.968
bonds (distance) P-C4' energy: -136.652
flat angles C4'-P-C4' energy: -130.803
flat angles P-C4'-P energy: -103.133
tors. eta vs tors. theta energy: -150.728
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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1907.486158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.486158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.486158 (E_RNA)
where:
Base-Base interactions energy: -1291.519
where: short stacking energy: -536.422
Base-Backbone interact. energy: 1.480
local terms energy: -617.447457
where:
bonds (distance) C4'-P energy: -118.169
bonds (distance) P-C4' energy: -139.955
flat angles C4'-P-C4' energy: -127.690
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -150.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1780.849265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.849265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.849265 (E_RNA)
where:
Base-Base interactions energy: -1226.385
where: short stacking energy: -532.334
Base-Backbone interact. energy: -2.417
local terms energy: -552.046920
where:
bonds (distance) C4'-P energy: -114.583
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -137.193
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -129.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1679.286702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.286702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.286702 (E_RNA)
where:
Base-Base interactions energy: -1131.116
where: short stacking energy: -474.900
Base-Backbone interact. energy: -1.825
local terms energy: -546.345878
where:
bonds (distance) C4'-P energy: -104.933
bonds (distance) P-C4' energy: -97.099
flat angles C4'-P-C4' energy: -129.146
flat angles P-C4'-P energy: -81.047
tors. eta vs tors. theta energy: -134.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1588.097024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.097024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.097024 (E_RNA)
where:
Base-Base interactions energy: -1081.465
where: short stacking energy: -464.150
Base-Backbone interact. energy: -4.105
local terms energy: -502.527307
where:
bonds (distance) C4'-P energy: -95.804
bonds (distance) P-C4' energy: -106.076
flat angles C4'-P-C4' energy: -125.521
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -106.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1236.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.825531 (E_RNA)
where:
Base-Base interactions energy: -765.355
where: short stacking energy: -358.413
Base-Backbone interact. energy: -4.343
local terms energy: -467.127364
where:
bonds (distance) C4'-P energy: -92.856
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -115.086
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: -83.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -969.150644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.150644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.150644 (E_RNA)
where:
Base-Base interactions energy: -559.122
where: short stacking energy: -289.258
Base-Backbone interact. energy: -1.978
local terms energy: -408.049915
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -106.593
flat angles C4'-P-C4' energy: -97.336
flat angles P-C4'-P energy: -67.856
tors. eta vs tors. theta energy: -42.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -507.828323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.828323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.828323 (E_RNA)
where:
Base-Base interactions energy: -196.227
where: short stacking energy: -180.308
Base-Backbone interact. energy: 4.075
local terms energy: -315.675974
where:
bonds (distance) C4'-P energy: -100.203
bonds (distance) P-C4' energy: -106.852
flat angles C4'-P-C4' energy: -80.719
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: 13.571
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: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -499.748865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.748865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.748865 (E_RNA)
where:
Base-Base interactions energy: -186.899
where: short stacking energy: -127.887
Base-Backbone interact. energy: 7.516
local terms energy: -320.365968
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -95.260
flat angles C4'-P-C4' energy: -87.341
flat angles P-C4'-P energy: -55.479
tors. eta vs tors. theta energy: 26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2070.204856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.204856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.204856 (E_RNA)
where:
Base-Base interactions energy: -1412.870
where: short stacking energy: -598.592
Base-Backbone interact. energy: -6.330
local terms energy: -651.005191
where:
bonds (distance) C4'-P energy: -124.968
bonds (distance) P-C4' energy: -118.784
flat angles C4'-P-C4' energy: -139.644
flat angles P-C4'-P energy: -100.341
tors. eta vs tors. theta energy: -167.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2042.928007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.928007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.928007 (E_RNA)
where:
Base-Base interactions energy: -1414.116
where: short stacking energy: -599.909
Base-Backbone interact. energy: -3.420
local terms energy: -625.391901
where:
bonds (distance) C4'-P energy: -113.689
bonds (distance) P-C4' energy: -126.502
flat angles C4'-P-C4' energy: -143.883
flat angles P-C4'-P energy: -92.277
tors. eta vs tors. theta energy: -149.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1878.118178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.118178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.118178 (E_RNA)
where:
Base-Base interactions energy: -1258.363
where: short stacking energy: -553.083
Base-Backbone interact. energy: -1.832
local terms energy: -617.922610
where:
bonds (distance) C4'-P energy: -117.110
bonds (distance) P-C4' energy: -131.094
flat angles C4'-P-C4' energy: -121.968
flat angles P-C4'-P energy: -92.286
tors. eta vs tors. theta energy: -155.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1809.543984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.543984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.543984 (E_RNA)
where:
Base-Base interactions energy: -1222.688
where: short stacking energy: -541.585
Base-Backbone interact. energy: -4.901
local terms energy: -581.955338
where:
bonds (distance) C4'-P energy: -118.026
bonds (distance) P-C4' energy: -111.894
flat angles C4'-P-C4' energy: -124.393
flat angles P-C4'-P energy: -80.252
tors. eta vs tors. theta energy: -147.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1701.454641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.454641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.454641 (E_RNA)
where:
Base-Base interactions energy: -1134.184
where: short stacking energy: -492.931
Base-Backbone interact. energy: 0.128
local terms energy: -567.398977
where:
bonds (distance) C4'-P energy: -111.432
bonds (distance) P-C4' energy: -124.881
flat angles C4'-P-C4' energy: -130.098
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -126.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1606.700587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.700587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.700587 (E_RNA)
where:
Base-Base interactions energy: -1060.616
where: short stacking energy: -492.956
Base-Backbone interact. energy: -2.728
local terms energy: -543.356582
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -119.800
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -122.129
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: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1220.781266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.781266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.781266 (E_RNA)
where:
Base-Base interactions energy: -765.710
where: short stacking energy: -370.576
Base-Backbone interact. energy: 4.871
local terms energy: -459.942708
where:
bonds (distance) C4'-P energy: -86.145
bonds (distance) P-C4' energy: -99.348
flat angles C4'-P-C4' energy: -113.323
flat angles P-C4'-P energy: -68.321
tors. eta vs tors. theta energy: -92.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -993.851963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.851963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.851963 (E_RNA)
where:
Base-Base interactions energy: -566.888
where: short stacking energy: -288.116
Base-Backbone interact. energy: -1.885
local terms energy: -425.078086
where:
bonds (distance) C4'-P energy: -103.922
bonds (distance) P-C4' energy: -100.448
flat angles C4'-P-C4' energy: -112.165
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -40.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -528.461704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.461704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.461704 (E_RNA)
where:
Base-Base interactions energy: -201.951
where: short stacking energy: -154.497
Base-Backbone interact. energy: -2.135
local terms energy: -324.376155
where:
bonds (distance) C4'-P energy: -82.277
bonds (distance) P-C4' energy: -116.876
flat angles C4'-P-C4' energy: -88.134
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: 18.497
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: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -513.116854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.116854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.116854 (E_RNA)
where:
Base-Base interactions energy: -193.985
where: short stacking energy: -155.457
Base-Backbone interact. energy: 8.668
local terms energy: -327.799334
where:
bonds (distance) C4'-P energy: -101.139
bonds (distance) P-C4' energy: -101.682
flat angles C4'-P-C4' energy: -85.843
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: 16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2074.525970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.525970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.525970 (E_RNA)
where:
Base-Base interactions energy: -1395.620
where: short stacking energy: -606.461
Base-Backbone interact. energy: -5.226
local terms energy: -673.679284
where:
bonds (distance) C4'-P energy: -125.772
bonds (distance) P-C4' energy: -135.720
flat angles C4'-P-C4' energy: -137.078
flat angles P-C4'-P energy: -100.537
tors. eta vs tors. theta energy: -174.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2040.709808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.709808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.709808 (E_RNA)
where:
Base-Base interactions energy: -1414.470
where: short stacking energy: -598.103
Base-Backbone interact. energy: -1.328
local terms energy: -624.912594
where:
bonds (distance) C4'-P energy: -119.265
bonds (distance) P-C4' energy: -126.240
flat angles C4'-P-C4' energy: -139.313
flat angles P-C4'-P energy: -84.608
tors. eta vs tors. theta energy: -155.485
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1847.221504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.221504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.221504 (E_RNA)
where:
Base-Base interactions energy: -1231.784
where: short stacking energy: -545.651
Base-Backbone interact. energy: -2.340
local terms energy: -613.097905
where:
bonds (distance) C4'-P energy: -129.088
bonds (distance) P-C4' energy: -126.705
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -77.938
tors. eta vs tors. theta energy: -143.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1821.926785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.926785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.926785 (E_RNA)
where:
Base-Base interactions energy: -1241.088
where: short stacking energy: -510.642
Base-Backbone interact. energy: -3.828
local terms energy: -577.010623
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -123.722
flat angles C4'-P-C4' energy: -131.723
flat angles P-C4'-P energy: -75.070
tors. eta vs tors. theta energy: -125.825
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: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1740.931386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.931386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.931386 (E_RNA)
where:
Base-Base interactions energy: -1167.752
where: short stacking energy: -523.403
Base-Backbone interact. energy: -2.516
local terms energy: -570.662854
where:
bonds (distance) C4'-P energy: -103.279
bonds (distance) P-C4' energy: -118.971
flat angles C4'-P-C4' energy: -129.102
flat angles P-C4'-P energy: -83.691
tors. eta vs tors. theta energy: -135.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1562.406225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.406225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.406225 (E_RNA)
where:
Base-Base interactions energy: -1030.429
where: short stacking energy: -457.165
Base-Backbone interact. energy: -1.895
local terms energy: -530.081618
where:
bonds (distance) C4'-P energy: -109.512
bonds (distance) P-C4' energy: -100.496
flat angles C4'-P-C4' energy: -127.430
flat angles P-C4'-P energy: -68.647
tors. eta vs tors. theta energy: -123.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1301.228213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.228213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.228213 (E_RNA)
where:
Base-Base interactions energy: -815.111
where: short stacking energy: -359.586
Base-Backbone interact. energy: -3.875
local terms energy: -482.241802
where:
bonds (distance) C4'-P energy: -115.458
bonds (distance) P-C4' energy: -104.336
flat angles C4'-P-C4' energy: -114.542
flat angles P-C4'-P energy: -61.910
tors. eta vs tors. theta energy: -85.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -987.652034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.652034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.652034 (E_RNA)
where:
Base-Base interactions energy: -578.378
where: short stacking energy: -278.868
Base-Backbone interact. energy: 2.677
local terms energy: -411.951113
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -106.884
flat angles C4'-P-C4' energy: -92.603
flat angles P-C4'-P energy: -64.552
tors. eta vs tors. theta energy: -40.725
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -552.650485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.650485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.650485 (E_RNA)
where:
Base-Base interactions energy: -199.806
where: short stacking energy: -190.075
Base-Backbone interact. energy: 3.552
local terms energy: -356.395984
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -110.952
flat angles C4'-P-C4' energy: -80.290
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -510.072725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.072725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.072725 (E_RNA)
where:
Base-Base interactions energy: -180.969
where: short stacking energy: -136.250
Base-Backbone interact. energy: 0.380
local terms energy: -329.483541
where:
bonds (distance) C4'-P energy: -99.384
bonds (distance) P-C4' energy: -95.437
flat angles C4'-P-C4' energy: -103.538
flat angles P-C4'-P energy: -64.481
tors. eta vs tors. theta energy: 33.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2061.858583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.858583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.858583 (E_RNA)
where:
Base-Base interactions energy: -1413.027
where: short stacking energy: -595.682
Base-Backbone interact. energy: -2.155
local terms energy: -646.676763
where:
bonds (distance) C4'-P energy: -118.729
bonds (distance) P-C4' energy: -128.229
flat angles C4'-P-C4' energy: -145.638
flat angles P-C4'-P energy: -89.969
tors. eta vs tors. theta energy: -164.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1990.772634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.772634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.772634 (E_RNA)
where:
Base-Base interactions energy: -1352.125
where: short stacking energy: -566.316
Base-Backbone interact. energy: -5.521
local terms energy: -633.126209
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -127.318
flat angles C4'-P-C4' energy: -141.512
flat angles P-C4'-P energy: -98.510
tors. eta vs tors. theta energy: -151.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1850.571371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.571371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.571371 (E_RNA)
where:
Base-Base interactions energy: -1258.838
where: short stacking energy: -533.545
Base-Backbone interact. energy: -4.067
local terms energy: -587.666208
where:
bonds (distance) C4'-P energy: -117.795
bonds (distance) P-C4' energy: -126.421
flat angles C4'-P-C4' energy: -128.408
flat angles P-C4'-P energy: -83.675
tors. eta vs tors. theta energy: -131.367
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: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1845.543184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.543184 (E_RNA)
where:
Base-Base interactions energy: -1257.654
where: short stacking energy: -520.897
Base-Backbone interact. energy: -1.070
local terms energy: -586.819668
where:
bonds (distance) C4'-P energy: -118.574
bonds (distance) P-C4' energy: -111.686
flat angles C4'-P-C4' energy: -133.628
flat angles P-C4'-P energy: -76.246
tors. eta vs tors. theta energy: -146.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1708.941111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.941111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.941111 (E_RNA)
where:
Base-Base interactions energy: -1120.797
where: short stacking energy: -491.680
Base-Backbone interact. energy: 3.928
local terms energy: -592.071669
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -132.625
flat angles C4'-P-C4' energy: -122.215
flat angles P-C4'-P energy: -80.489
tors. eta vs tors. theta energy: -143.281
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: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1578.924647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.924647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.924647 (E_RNA)
where:
Base-Base interactions energy: -1057.979
where: short stacking energy: -492.673
Base-Backbone interact. energy: -3.778
local terms energy: -517.167377
where:
bonds (distance) C4'-P energy: -100.657
bonds (distance) P-C4' energy: -94.648
flat angles C4'-P-C4' energy: -108.527
flat angles P-C4'-P energy: -89.263
tors. eta vs tors. theta energy: -124.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1323.700679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.700679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.700679 (E_RNA)
where:
Base-Base interactions energy: -848.871
where: short stacking energy: -365.004
Base-Backbone interact. energy: -2.216
local terms energy: -472.612851
where:
bonds (distance) C4'-P energy: -109.227
bonds (distance) P-C4' energy: -102.815
flat angles C4'-P-C4' energy: -105.609
flat angles P-C4'-P energy: -71.766
tors. eta vs tors. theta energy: -83.197
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -946.830836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.830836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.830836 (E_RNA)
where:
Base-Base interactions energy: -542.407
where: short stacking energy: -265.595
Base-Backbone interact. energy: -1.869
local terms energy: -402.554892
where:
bonds (distance) C4'-P energy: -113.902
bonds (distance) P-C4' energy: -106.349
flat angles C4'-P-C4' energy: -98.483
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -39.562
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: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -564.170802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.170802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.170802 (E_RNA)
where:
Base-Base interactions energy: -228.526
where: short stacking energy: -177.146
Base-Backbone interact. energy: -1.588
local terms energy: -334.056499
where:
bonds (distance) C4'-P energy: -109.723
bonds (distance) P-C4' energy: -106.797
flat angles C4'-P-C4' energy: -85.840
flat angles P-C4'-P energy: -55.381
tors. eta vs tors. theta energy: 23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -485.880085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.880085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.880085 (E_RNA)
where:
Base-Base interactions energy: -180.980
where: short stacking energy: -132.815
Base-Backbone interact. energy: 5.264
local terms energy: -310.164247
where:
bonds (distance) C4'-P energy: -82.501
bonds (distance) P-C4' energy: -101.844
flat angles C4'-P-C4' energy: -94.620
flat angles P-C4'-P energy: -46.097
tors. eta vs tors. theta energy: 14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2036.068327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.068327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.068327 (E_RNA)
where:
Base-Base interactions energy: -1379.627
where: short stacking energy: -570.889
Base-Backbone interact. energy: -4.674
local terms energy: -651.767002
where:
bonds (distance) C4'-P energy: -124.006
bonds (distance) P-C4' energy: -122.317
flat angles C4'-P-C4' energy: -140.126
flat angles P-C4'-P energy: -101.846
tors. eta vs tors. theta energy: -163.471
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2025.463756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.463756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.463756 (E_RNA)
where:
Base-Base interactions energy: -1376.574
where: short stacking energy: -572.815
Base-Backbone interact. energy: -1.460
local terms energy: -647.429909
where:
bonds (distance) C4'-P energy: -126.912
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -146.501
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -163.098
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: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1870.091236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.091236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.091236 (E_RNA)
where:
Base-Base interactions energy: -1278.026
where: short stacking energy: -505.755
Base-Backbone interact. energy: -3.421
local terms energy: -588.644137
where:
bonds (distance) C4'-P energy: -120.382
bonds (distance) P-C4' energy: -118.736
flat angles C4'-P-C4' energy: -137.282
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -133.610
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: 114
Temperature: 1.050000
Total energy: -1829.186270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.186270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.186270 (E_RNA)
where:
Base-Base interactions energy: -1253.274
where: short stacking energy: -540.863
Base-Backbone interact. energy: -1.065
local terms energy: -574.846585
where:
bonds (distance) C4'-P energy: -102.270
bonds (distance) P-C4' energy: -113.607
flat angles C4'-P-C4' energy: -134.225
flat angles P-C4'-P energy: -83.288
tors. eta vs tors. theta energy: -141.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1696.288696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.288696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.288696 (E_RNA)
where:
Base-Base interactions energy: -1153.874
where: short stacking energy: -519.732
Base-Backbone interact. energy: 5.136
local terms energy: -547.550922
where:
bonds (distance) C4'-P energy: -96.485
bonds (distance) P-C4' energy: -117.661
flat angles C4'-P-C4' energy: -128.327
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -132.652
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: 114
Temperature: 1.150000
Total energy: -1537.674980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.674980 (E_RNA)
where:
Base-Base interactions energy: -1018.737
where: short stacking energy: -441.565
Base-Backbone interact. energy: 0.418
local terms energy: -519.355676
where:
bonds (distance) C4'-P energy: -107.106
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -117.589
flat angles P-C4'-P energy: -73.144
tors. eta vs tors. theta energy: -107.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1364.416780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.416780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.416780 (E_RNA)
where:
Base-Base interactions energy: -876.845
where: short stacking energy: -414.831
Base-Backbone interact. energy: -2.558
local terms energy: -485.013977
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -105.642
flat angles C4'-P-C4' energy: -108.866
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -101.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -873.367241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.367241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.367241 (E_RNA)
where:
Base-Base interactions energy: -492.460
where: short stacking energy: -277.652
Base-Backbone interact. energy: 0.427
local terms energy: -381.334397
where:
bonds (distance) C4'-P energy: -95.691
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -90.218
flat angles P-C4'-P energy: -53.269
tors. eta vs tors. theta energy: -30.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -566.525211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.525211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.525211 (E_RNA)
where:
Base-Base interactions energy: -230.975
where: short stacking energy: -164.711
Base-Backbone interact. energy: 1.159
local terms energy: -336.709428
where:
bonds (distance) C4'-P energy: -105.633
bonds (distance) P-C4' energy: -95.354
flat angles C4'-P-C4' energy: -98.509
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -490.626096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.626096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.626096 (E_RNA)
where:
Base-Base interactions energy: -164.983
where: short stacking energy: -148.825
Base-Backbone interact. energy: 2.997
local terms energy: -328.639727
where:
bonds (distance) C4'-P energy: -112.369
bonds (distance) P-C4' energy: -105.710
flat angles C4'-P-C4' energy: -91.509
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: 26.803
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: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2093.029779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.029779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.029779 (E_RNA)
where:
Base-Base interactions energy: -1416.835
where: short stacking energy: -587.951
Base-Backbone interact. energy: -1.613
local terms energy: -674.581368
where:
bonds (distance) C4'-P energy: -124.639
bonds (distance) P-C4' energy: -139.807
flat angles C4'-P-C4' energy: -149.145
flat angles P-C4'-P energy: -99.654
tors. eta vs tors. theta energy: -161.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2046.082545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.082545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.082545 (E_RNA)
where:
Base-Base interactions energy: -1384.696
where: short stacking energy: -610.190
Base-Backbone interact. energy: -4.462
local terms energy: -656.924885
where:
bonds (distance) C4'-P energy: -130.532
bonds (distance) P-C4' energy: -118.094
flat angles C4'-P-C4' energy: -136.097
flat angles P-C4'-P energy: -100.308
tors. eta vs tors. theta energy: -171.893
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1877.300512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.300512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.300512 (E_RNA)
where:
Base-Base interactions energy: -1326.493
where: short stacking energy: -523.460
Base-Backbone interact. energy: -2.559
local terms energy: -548.248892
where:
bonds (distance) C4'-P energy: -104.533
bonds (distance) P-C4' energy: -113.737
flat angles C4'-P-C4' energy: -132.389
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: -134.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1835.540109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.540109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.540109 (E_RNA)
where:
Base-Base interactions energy: -1260.553
where: short stacking energy: -554.681
Base-Backbone interact. energy: 1.944
local terms energy: -576.931781
where:
bonds (distance) C4'-P energy: -105.737
bonds (distance) P-C4' energy: -111.852
flat angles C4'-P-C4' energy: -122.504
flat angles P-C4'-P energy: -90.395
tors. eta vs tors. theta energy: -146.444
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: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1651.581170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.581170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.581170 (E_RNA)
where:
Base-Base interactions energy: -1077.571
where: short stacking energy: -474.261
Base-Backbone interact. energy: -1.798
local terms energy: -572.212021
where:
bonds (distance) C4'-P energy: -124.282
bonds (distance) P-C4' energy: -127.585
flat angles C4'-P-C4' energy: -126.100
flat angles P-C4'-P energy: -65.760
tors. eta vs tors. theta energy: -128.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1554.163464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.163464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.163464 (E_RNA)
where:
Base-Base interactions energy: -1012.408
where: short stacking energy: -465.379
Base-Backbone interact. energy: -0.392
local terms energy: -541.363278
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -110.356
flat angles C4'-P-C4' energy: -126.296
flat angles P-C4'-P energy: -73.958
tors. eta vs tors. theta energy: -126.764
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: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1377.141588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.141588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.141588 (E_RNA)
where:
Base-Base interactions energy: -887.872
where: short stacking energy: -434.810
Base-Backbone interact. energy: -1.025
local terms energy: -488.245030
where:
bonds (distance) C4'-P energy: -97.252
bonds (distance) P-C4' energy: -119.575
flat angles C4'-P-C4' energy: -102.279
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -95.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -884.526849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.526849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.526849 (E_RNA)
where:
Base-Base interactions energy: -521.090
where: short stacking energy: -269.626
Base-Backbone interact. energy: 4.416
local terms energy: -367.853590
where:
bonds (distance) C4'-P energy: -78.120
bonds (distance) P-C4' energy: -104.337
flat angles C4'-P-C4' energy: -101.097
flat angles P-C4'-P energy: -49.991
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -527.011979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.011979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.011979 (E_RNA)
where:
Base-Base interactions energy: -213.124
where: short stacking energy: -156.038
Base-Backbone interact. energy: -1.661
local terms energy: -312.226504
where:
bonds (distance) C4'-P energy: -91.258
bonds (distance) P-C4' energy: -108.222
flat angles C4'-P-C4' energy: -87.060
flat angles P-C4'-P energy: -50.133
tors. eta vs tors. theta energy: 24.446
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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -488.164958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.164958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.164958 (E_RNA)
where:
Base-Base interactions energy: -183.757
where: short stacking energy: -159.065
Base-Backbone interact. energy: 0.433
local terms energy: -304.840574
where:
bonds (distance) C4'-P energy: -91.505
bonds (distance) P-C4' energy: -101.576
flat angles C4'-P-C4' energy: -88.043
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: 22.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2071.332447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.332447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.332447 (E_RNA)
where:
Base-Base interactions energy: -1430.058
where: short stacking energy: -588.854
Base-Backbone interact. energy: -3.480
local terms energy: -637.794337
where:
bonds (distance) C4'-P energy: -128.337
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -128.968
flat angles P-C4'-P energy: -102.577
tors. eta vs tors. theta energy: -163.560
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: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2002.530577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.530577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.530577 (E_RNA)
where:
Base-Base interactions energy: -1362.907
where: short stacking energy: -595.672
Base-Backbone interact. energy: -6.045
local terms energy: -633.578116
where:
bonds (distance) C4'-P energy: -118.209
bonds (distance) P-C4' energy: -118.215
flat angles C4'-P-C4' energy: -132.382
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -177.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1873.368784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.368784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.368784 (E_RNA)
where:
Base-Base interactions energy: -1267.166
where: short stacking energy: -549.708
Base-Backbone interact. energy: 1.086
local terms energy: -607.289598
where:
bonds (distance) C4'-P energy: -110.891
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -137.352
flat angles P-C4'-P energy: -82.004
tors. eta vs tors. theta energy: -158.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1820.763861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.763861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.763861 (E_RNA)
where:
Base-Base interactions energy: -1265.416
where: short stacking energy: -527.899
Base-Backbone interact. energy: -1.256
local terms energy: -554.091221
where:
bonds (distance) C4'-P energy: -103.250
bonds (distance) P-C4' energy: -112.748
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -89.905
tors. eta vs tors. theta energy: -135.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1644.661582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.661582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.661582 (E_RNA)
where:
Base-Base interactions energy: -1094.966
where: short stacking energy: -503.196
Base-Backbone interact. energy: 0.045
local terms energy: -549.739892
where:
bonds (distance) C4'-P energy: -115.447
bonds (distance) P-C4' energy: -106.277
flat angles C4'-P-C4' energy: -119.786
flat angles P-C4'-P energy: -69.789
tors. eta vs tors. theta energy: -138.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1527.505275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.505275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.505275 (E_RNA)
where:
Base-Base interactions energy: -991.754
where: short stacking energy: -436.243
Base-Backbone interact. energy: 2.051
local terms energy: -537.802240
where:
bonds (distance) C4'-P energy: -126.424
bonds (distance) P-C4' energy: -120.248
flat angles C4'-P-C4' energy: -114.936
flat angles P-C4'-P energy: -71.373
tors. eta vs tors. theta energy: -104.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1418.866726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.866726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.866726 (E_RNA)
where:
Base-Base interactions energy: -906.195
where: short stacking energy: -411.678
Base-Backbone interact. energy: -3.639
local terms energy: -509.033348
where:
bonds (distance) C4'-P energy: -102.207
bonds (distance) P-C4' energy: -116.458
flat angles C4'-P-C4' energy: -122.338
flat angles P-C4'-P energy: -68.802
tors. eta vs tors. theta energy: -99.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -909.245473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.245473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.245473 (E_RNA)
where:
Base-Base interactions energy: -503.782
where: short stacking energy: -284.267
Base-Backbone interact. energy: 3.960
local terms energy: -409.423397
where:
bonds (distance) C4'-P energy: -94.137
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -95.755
flat angles P-C4'-P energy: -59.603
tors. eta vs tors. theta energy: -40.319
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: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -573.649493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.649493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.649493 (E_RNA)
where:
Base-Base interactions energy: -236.925
where: short stacking energy: -171.910
Base-Backbone interact. energy: -1.103
local terms energy: -335.620790
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -86.613
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -487.648766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.648766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.648766 (E_RNA)
where:
Base-Base interactions energy: -189.456
where: short stacking energy: -149.856
Base-Backbone interact. energy: 0.236
local terms energy: -298.428929
where:
bonds (distance) C4'-P energy: -77.176
bonds (distance) P-C4' energy: -102.943
flat angles C4'-P-C4' energy: -83.780
flat angles P-C4'-P energy: -52.112
tors. eta vs tors. theta energy: 17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2070.174779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.174779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.174779 (E_RNA)
where:
Base-Base interactions energy: -1408.035
where: short stacking energy: -592.781
Base-Backbone interact. energy: -4.706
local terms energy: -657.433135
where:
bonds (distance) C4'-P energy: -124.362
bonds (distance) P-C4' energy: -129.042
flat angles C4'-P-C4' energy: -139.148
flat angles P-C4'-P energy: -97.295
tors. eta vs tors. theta energy: -167.586
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1944.722601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.722601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.722601 (E_RNA)
where:
Base-Base interactions energy: -1320.713
where: short stacking energy: -572.487
Base-Backbone interact. energy: -3.138
local terms energy: -620.872222
where:
bonds (distance) C4'-P energy: -123.141
bonds (distance) P-C4' energy: -130.043
flat angles C4'-P-C4' energy: -131.400
flat angles P-C4'-P energy: -86.457
tors. eta vs tors. theta energy: -149.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1941.574618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.574618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.574618 (E_RNA)
where:
Base-Base interactions energy: -1291.222
where: short stacking energy: -543.951
Base-Backbone interact. energy: -3.238
local terms energy: -647.114964
where:
bonds (distance) C4'-P energy: -120.865
bonds (distance) P-C4' energy: -119.618
flat angles C4'-P-C4' energy: -138.674
flat angles P-C4'-P energy: -104.769
tors. eta vs tors. theta energy: -163.189
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1795.423164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.423164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.423164 (E_RNA)
where:
Base-Base interactions energy: -1222.475
where: short stacking energy: -522.027
Base-Backbone interact. energy: -4.862
local terms energy: -568.085990
where:
bonds (distance) C4'-P energy: -102.410
bonds (distance) P-C4' energy: -116.876
flat angles C4'-P-C4' energy: -122.816
flat angles P-C4'-P energy: -90.441
tors. eta vs tors. theta energy: -135.543
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: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1630.360681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.360681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.360681 (E_RNA)
where:
Base-Base interactions energy: -1065.270
where: short stacking energy: -477.834
Base-Backbone interact. energy: -2.786
local terms energy: -562.305057
where:
bonds (distance) C4'-P energy: -119.408
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -129.173
flat angles P-C4'-P energy: -82.778
tors. eta vs tors. theta energy: -124.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1525.618710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.618710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.618710 (E_RNA)
where:
Base-Base interactions energy: -1010.775
where: short stacking energy: -443.667
Base-Backbone interact. energy: -2.735
local terms energy: -512.108983
where:
bonds (distance) C4'-P energy: -106.507
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -127.195
flat angles P-C4'-P energy: -74.728
tors. eta vs tors. theta energy: -101.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1368.605790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.605790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.605790 (E_RNA)
where:
Base-Base interactions energy: -873.940
where: short stacking energy: -405.735
Base-Backbone interact. energy: -0.156
local terms energy: -494.509633
where:
bonds (distance) C4'-P energy: -109.015
bonds (distance) P-C4' energy: -121.722
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -55.046
tors. eta vs tors. theta energy: -92.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -860.612912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.612912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.612912 (E_RNA)
where:
Base-Base interactions energy: -486.154
where: short stacking energy: -246.173
Base-Backbone interact. energy: 1.620
local terms energy: -376.079414
where:
bonds (distance) C4'-P energy: -98.918
bonds (distance) P-C4' energy: -119.689
flat angles C4'-P-C4' energy: -95.307
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -32.386
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -580.705007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.705007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.705007 (E_RNA)
where:
Base-Base interactions energy: -230.659
where: short stacking energy: -178.847
Base-Backbone interact. energy: 4.811
local terms energy: -354.856400
where:
bonds (distance) C4'-P energy: -113.405
bonds (distance) P-C4' energy: -92.541
flat angles C4'-P-C4' energy: -98.380
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -522.440554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.440554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.440554 (E_RNA)
where:
Base-Base interactions energy: -177.073
where: short stacking energy: -162.463
Base-Backbone interact. energy: 2.964
local terms energy: -348.332267
where:
bonds (distance) C4'-P energy: -109.916
bonds (distance) P-C4' energy: -93.299
flat angles C4'-P-C4' energy: -88.450
flat angles P-C4'-P energy: -70.828
tors. eta vs tors. theta energy: 14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2080.000286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.000286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.000286 (E_RNA)
where:
Base-Base interactions energy: -1421.142
where: short stacking energy: -571.905
Base-Backbone interact. energy: 0.387
local terms energy: -659.245239
where:
bonds (distance) C4'-P energy: -132.144
bonds (distance) P-C4' energy: -132.519
flat angles C4'-P-C4' energy: -137.479
flat angles P-C4'-P energy: -104.621
tors. eta vs tors. theta energy: -152.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1930.104040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.104040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.104040 (E_RNA)
where:
Base-Base interactions energy: -1287.311
where: short stacking energy: -554.457
Base-Backbone interact. energy: 0.908
local terms energy: -643.701210
where:
bonds (distance) C4'-P energy: -121.866
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -145.968
flat angles P-C4'-P energy: -88.727
tors. eta vs tors. theta energy: -152.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1902.354014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.354014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.354014 (E_RNA)
where:
Base-Base interactions energy: -1283.588
where: short stacking energy: -573.678
Base-Backbone interact. energy: 0.409
local terms energy: -619.175453
where:
bonds (distance) C4'-P energy: -116.644
bonds (distance) P-C4' energy: -124.893
flat angles C4'-P-C4' energy: -117.127
flat angles P-C4'-P energy: -100.705
tors. eta vs tors. theta energy: -159.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1798.562874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.562874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.562874 (E_RNA)
where:
Base-Base interactions energy: -1246.513
where: short stacking energy: -525.593
Base-Backbone interact. energy: -4.091
local terms energy: -547.959286
where:
bonds (distance) C4'-P energy: -101.735
bonds (distance) P-C4' energy: -103.785
flat angles C4'-P-C4' energy: -141.664
flat angles P-C4'-P energy: -72.416
tors. eta vs tors. theta energy: -128.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1611.922956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.922956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.922956 (E_RNA)
where:
Base-Base interactions energy: -1069.078
where: short stacking energy: -502.819
Base-Backbone interact. energy: -2.705
local terms energy: -540.140586
where:
bonds (distance) C4'-P energy: -105.727
bonds (distance) P-C4' energy: -110.441
flat angles C4'-P-C4' energy: -127.624
flat angles P-C4'-P energy: -79.869
tors. eta vs tors. theta energy: -116.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1497.462873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.462873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.462873 (E_RNA)
where:
Base-Base interactions energy: -971.302
where: short stacking energy: -444.837
Base-Backbone interact. energy: -2.524
local terms energy: -523.636337
where:
bonds (distance) C4'-P energy: -102.429
bonds (distance) P-C4' energy: -121.375
flat angles C4'-P-C4' energy: -121.238
flat angles P-C4'-P energy: -71.326
tors. eta vs tors. theta energy: -107.267
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1325.543861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.543861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.543861 (E_RNA)
where:
Base-Base interactions energy: -831.224
where: short stacking energy: -400.576
Base-Backbone interact. energy: -0.211
local terms energy: -494.109096
where:
bonds (distance) C4'-P energy: -86.625
bonds (distance) P-C4' energy: -113.093
flat angles C4'-P-C4' energy: -121.967
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -102.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -918.500522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.500522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.500522 (E_RNA)
where:
Base-Base interactions energy: -488.564
where: short stacking energy: -258.460
Base-Backbone interact. energy: 0.607
local terms energy: -430.543142
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -103.402
flat angles C4'-P-C4' energy: -93.440
flat angles P-C4'-P energy: -68.714
tors. eta vs tors. theta energy: -56.855
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -536.172982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.172982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.172982 (E_RNA)
where:
Base-Base interactions energy: -178.857
where: short stacking energy: -156.592
Base-Backbone interact. energy: 0.674
local terms energy: -357.990530
where:
bonds (distance) C4'-P energy: -102.359
bonds (distance) P-C4' energy: -110.425
flat angles C4'-P-C4' energy: -92.872
flat angles P-C4'-P energy: -62.645
tors. eta vs tors. theta energy: 10.310
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: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -491.122652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.122652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.122652 (E_RNA)
where:
Base-Base interactions energy: -178.702
where: short stacking energy: -148.377
Base-Backbone interact. energy: 1.972
local terms energy: -314.392195
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -104.427
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -42.237
tors. eta vs tors. theta energy: 14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2103.974343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.974343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.974343 (E_RNA)
where:
Base-Base interactions energy: -1449.468
where: short stacking energy: -614.515
Base-Backbone interact. energy: 0.786
local terms energy: -655.291799
where:
bonds (distance) C4'-P energy: -118.944
bonds (distance) P-C4' energy: -120.621
flat angles C4'-P-C4' energy: -138.529
flat angles P-C4'-P energy: -106.211
tors. eta vs tors. theta energy: -170.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1931.187005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.187005 (E_RNA)
where:
Base-Base interactions energy: -1326.003
where: short stacking energy: -553.981
Base-Backbone interact. energy: -5.428
local terms energy: -599.756027
where:
bonds (distance) C4'-P energy: -112.413
bonds (distance) P-C4' energy: -124.900
flat angles C4'-P-C4' energy: -129.871
flat angles P-C4'-P energy: -84.531
tors. eta vs tors. theta energy: -148.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1946.784975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.784975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.784975 (E_RNA)
where:
Base-Base interactions energy: -1315.047
where: short stacking energy: -552.280
Base-Backbone interact. energy: 1.806
local terms energy: -633.544154
where:
bonds (distance) C4'-P energy: -123.274
bonds (distance) P-C4' energy: -120.403
flat angles C4'-P-C4' energy: -138.359
flat angles P-C4'-P energy: -95.873
tors. eta vs tors. theta energy: -155.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1784.997156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.997156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.997156 (E_RNA)
where:
Base-Base interactions energy: -1191.105
where: short stacking energy: -497.657
Base-Backbone interact. energy: -3.855
local terms energy: -590.037291
where:
bonds (distance) C4'-P energy: -122.089
bonds (distance) P-C4' energy: -132.160
flat angles C4'-P-C4' energy: -134.158
flat angles P-C4'-P energy: -75.086
tors. eta vs tors. theta energy: -126.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1590.801500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.801500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.801500 (E_RNA)
where:
Base-Base interactions energy: -1037.623
where: short stacking energy: -446.643
Base-Backbone interact. energy: -1.280
local terms energy: -551.898174
where:
bonds (distance) C4'-P energy: -110.144
bonds (distance) P-C4' energy: -121.167
flat angles C4'-P-C4' energy: -134.108
flat angles P-C4'-P energy: -73.789
tors. eta vs tors. theta energy: -112.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1509.767060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.767060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.767060 (E_RNA)
where:
Base-Base interactions energy: -963.007
where: short stacking energy: -442.156
Base-Backbone interact. energy: -5.968
local terms energy: -540.792198
where:
bonds (distance) C4'-P energy: -101.946
bonds (distance) P-C4' energy: -114.007
flat angles C4'-P-C4' energy: -126.871
flat angles P-C4'-P energy: -79.952
tors. eta vs tors. theta energy: -118.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1387.814697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.814697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.814697 (E_RNA)
where:
Base-Base interactions energy: -891.493
where: short stacking energy: -457.367
Base-Backbone interact. energy: -0.108
local terms energy: -496.213238
where:
bonds (distance) C4'-P energy: -104.087
bonds (distance) P-C4' energy: -83.796
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: -126.426
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: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -929.414785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.414785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.414785 (E_RNA)
where:
Base-Base interactions energy: -538.423
where: short stacking energy: -275.945
Base-Backbone interact. energy: -1.178
local terms energy: -389.813141
where:
bonds (distance) C4'-P energy: -105.850
bonds (distance) P-C4' energy: -111.108
flat angles C4'-P-C4' energy: -92.471
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -28.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -549.286880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.286880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.286880 (E_RNA)
where:
Base-Base interactions energy: -176.565
where: short stacking energy: -149.659
Base-Backbone interact. energy: -2.825
local terms energy: -369.897609
where:
bonds (distance) C4'-P energy: -81.595
bonds (distance) P-C4' energy: -127.173
flat angles C4'-P-C4' energy: -110.189
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: 12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -495.771387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.771387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.771387 (E_RNA)
where:
Base-Base interactions energy: -209.624
where: short stacking energy: -149.788
Base-Backbone interact. energy: -1.768
local terms energy: -284.379716
where:
bonds (distance) C4'-P energy: -91.373
bonds (distance) P-C4' energy: -92.264
flat angles C4'-P-C4' energy: -76.213
flat angles P-C4'-P energy: -54.228
tors. eta vs tors. theta energy: 29.699
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: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2100.618563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.618563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.618563 (E_RNA)
where:
Base-Base interactions energy: -1454.341
where: short stacking energy: -600.934
Base-Backbone interact. energy: 0.687
local terms energy: -646.964692
where:
bonds (distance) C4'-P energy: -115.270
bonds (distance) P-C4' energy: -128.038
flat angles C4'-P-C4' energy: -142.380
flat angles P-C4'-P energy: -94.627
tors. eta vs tors. theta energy: -166.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1994.238153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.238153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.238153 (E_RNA)
where:
Base-Base interactions energy: -1358.574
where: short stacking energy: -552.412
Base-Backbone interact. energy: -1.910
local terms energy: -633.754155
where:
bonds (distance) C4'-P energy: -117.675
bonds (distance) P-C4' energy: -121.688
flat angles C4'-P-C4' energy: -141.753
flat angles P-C4'-P energy: -93.108
tors. eta vs tors. theta energy: -159.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1894.585697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.585697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.585697 (E_RNA)
where:
Base-Base interactions energy: -1309.812
where: short stacking energy: -548.231
Base-Backbone interact. energy: 1.384
local terms energy: -586.157942
where:
bonds (distance) C4'-P energy: -112.107
bonds (distance) P-C4' energy: -112.845
flat angles C4'-P-C4' energy: -131.867
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -147.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1762.470026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.470026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.470026 (E_RNA)
where:
Base-Base interactions energy: -1210.906
where: short stacking energy: -494.039
Base-Backbone interact. energy: 0.478
local terms energy: -552.042629
where:
bonds (distance) C4'-P energy: -118.611
bonds (distance) P-C4' energy: -116.666
flat angles C4'-P-C4' energy: -116.866
flat angles P-C4'-P energy: -79.417
tors. eta vs tors. theta energy: -120.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1623.759006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.759006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.759006 (E_RNA)
where:
Base-Base interactions energy: -1073.444
where: short stacking energy: -487.675
Base-Backbone interact. energy: 0.250
local terms energy: -550.565463
where:
bonds (distance) C4'-P energy: -103.267
bonds (distance) P-C4' energy: -109.009
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -74.936
tors. eta vs tors. theta energy: -137.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1434.077476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.077476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.077476 (E_RNA)
where:
Base-Base interactions energy: -905.927
where: short stacking energy: -412.995
Base-Backbone interact. energy: -3.825
local terms energy: -524.325548
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -115.469
flat angles C4'-P-C4' energy: -114.754
flat angles P-C4'-P energy: -73.189
tors. eta vs tors. theta energy: -94.061
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1361.367244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.367244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.367244 (E_RNA)
where:
Base-Base interactions energy: -847.447
where: short stacking energy: -409.684
Base-Backbone interact. energy: -0.265
local terms energy: -513.654858
where:
bonds (distance) C4'-P energy: -121.000
bonds (distance) P-C4' energy: -101.943
flat angles C4'-P-C4' energy: -116.866
flat angles P-C4'-P energy: -74.606
tors. eta vs tors. theta energy: -99.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -934.250243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.250243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.250243 (E_RNA)
where:
Base-Base interactions energy: -532.276
where: short stacking energy: -272.070
Base-Backbone interact. energy: -4.546
local terms energy: -397.428618
where:
bonds (distance) C4'-P energy: -102.921
bonds (distance) P-C4' energy: -106.599
flat angles C4'-P-C4' energy: -94.707
flat angles P-C4'-P energy: -68.119
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -563.139441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.139441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.139441 (E_RNA)
where:
Base-Base interactions energy: -218.652
where: short stacking energy: -168.165
Base-Backbone interact. energy: 0.988
local terms energy: -345.475487
where:
bonds (distance) C4'-P energy: -75.217
bonds (distance) P-C4' energy: -125.134
flat angles C4'-P-C4' energy: -94.099
flat angles P-C4'-P energy: -64.037
tors. eta vs tors. theta energy: 13.011
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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -484.591885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.591885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.591885 (E_RNA)
where:
Base-Base interactions energy: -181.525
where: short stacking energy: -151.189
Base-Backbone interact. energy: 0.183
local terms energy: -303.249750
where:
bonds (distance) C4'-P energy: -110.446
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -86.004
flat angles P-C4'-P energy: -46.896
tors. eta vs tors. theta energy: 31.435
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: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2077.945167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.945167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.945167 (E_RNA)
where:
Base-Base interactions energy: -1432.894
where: short stacking energy: -585.408
Base-Backbone interact. energy: -4.093
local terms energy: -640.957332
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -144.140
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -157.789
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: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2010.391541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.391541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.391541 (E_RNA)
where:
Base-Base interactions energy: -1354.027
where: short stacking energy: -572.882
Base-Backbone interact. energy: -0.332
local terms energy: -656.033238
where:
bonds (distance) C4'-P energy: -137.409
bonds (distance) P-C4' energy: -123.659
flat angles C4'-P-C4' energy: -136.468
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -163.554
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1871.638288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.638288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.638288 (E_RNA)
where:
Base-Base interactions energy: -1240.589
where: short stacking energy: -525.666
Base-Backbone interact. energy: -2.609
local terms energy: -628.440479
where:
bonds (distance) C4'-P energy: -118.499
bonds (distance) P-C4' energy: -127.831
flat angles C4'-P-C4' energy: -133.304
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -147.132
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: 121
Temperature: 1.050000
Total energy: -1808.520358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.520358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.520358 (E_RNA)
where:
Base-Base interactions energy: -1240.307
where: short stacking energy: -516.530
Base-Backbone interact. energy: 4.417
local terms energy: -572.630251
where:
bonds (distance) C4'-P energy: -119.304
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -126.393
flat angles P-C4'-P energy: -76.721
tors. eta vs tors. theta energy: -132.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1582.127774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.127774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.127774 (E_RNA)
where:
Base-Base interactions energy: -1037.710
where: short stacking energy: -473.639
Base-Backbone interact. energy: 4.538
local terms energy: -548.955104
where:
bonds (distance) C4'-P energy: -107.776
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -129.209
flat angles P-C4'-P energy: -93.485
tors. eta vs tors. theta energy: -108.879
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: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1482.344727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.344727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.344727 (E_RNA)
where:
Base-Base interactions energy: -959.345
where: short stacking energy: -435.424
Base-Backbone interact. energy: -4.119
local terms energy: -518.881256
where:
bonds (distance) C4'-P energy: -96.729
bonds (distance) P-C4' energy: -113.031
flat angles C4'-P-C4' energy: -121.660
flat angles P-C4'-P energy: -67.805
tors. eta vs tors. theta energy: -119.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1317.488822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.488822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.488822 (E_RNA)
where:
Base-Base interactions energy: -838.429
where: short stacking energy: -374.182
Base-Backbone interact. energy: 1.222
local terms energy: -480.281729
where:
bonds (distance) C4'-P energy: -102.388
bonds (distance) P-C4' energy: -95.185
flat angles C4'-P-C4' energy: -114.692
flat angles P-C4'-P energy: -78.618
tors. eta vs tors. theta energy: -89.398
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: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -912.398457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.398457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.398457 (E_RNA)
where:
Base-Base interactions energy: -494.074
where: short stacking energy: -282.355
Base-Backbone interact. energy: -1.473
local terms energy: -416.851522
where:
bonds (distance) C4'-P energy: -103.713
bonds (distance) P-C4' energy: -104.461
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: -45.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -556.970050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.970050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.970050 (E_RNA)
where:
Base-Base interactions energy: -220.979
where: short stacking energy: -155.296
Base-Backbone interact. energy: 1.856
local terms energy: -337.847401
where:
bonds (distance) C4'-P energy: -102.761
bonds (distance) P-C4' energy: -117.645
flat angles C4'-P-C4' energy: -73.657
flat angles P-C4'-P energy: -66.025
tors. eta vs tors. theta energy: 22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -483.717366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.717366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.717366 (E_RNA)
where:
Base-Base interactions energy: -182.344
where: short stacking energy: -136.928
Base-Backbone interact. energy: 0.300
local terms energy: -301.672804
where:
bonds (distance) C4'-P energy: -97.775
bonds (distance) P-C4' energy: -102.537
flat angles C4'-P-C4' energy: -70.758
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2119.641932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.641932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.641932 (E_RNA)
where:
Base-Base interactions energy: -1471.285
where: short stacking energy: -597.023
Base-Backbone interact. energy: -3.600
local terms energy: -644.756340
where:
bonds (distance) C4'-P energy: -128.367
bonds (distance) P-C4' energy: -138.260
flat angles C4'-P-C4' energy: -129.575
flat angles P-C4'-P energy: -92.584
tors. eta vs tors. theta energy: -155.969
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: 122
Temperature: 0.950000
Total energy: -2033.163682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.163682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.163682 (E_RNA)
where:
Base-Base interactions energy: -1389.918
where: short stacking energy: -597.540
Base-Backbone interact. energy: -2.919
local terms energy: -640.326171
where:
bonds (distance) C4'-P energy: -116.116
bonds (distance) P-C4' energy: -123.272
flat angles C4'-P-C4' energy: -140.185
flat angles P-C4'-P energy: -90.997
tors. eta vs tors. theta energy: -169.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1846.423410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.423410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.423410 (E_RNA)
where:
Base-Base interactions energy: -1242.404
where: short stacking energy: -554.191
Base-Backbone interact. energy: -3.883
local terms energy: -600.136195
where:
bonds (distance) C4'-P energy: -125.580
bonds (distance) P-C4' energy: -106.497
flat angles C4'-P-C4' energy: -135.125
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -144.367
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1783.052648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.052648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.052648 (E_RNA)
where:
Base-Base interactions energy: -1203.367
where: short stacking energy: -516.575
Base-Backbone interact. energy: -0.387
local terms energy: -579.298294
where:
bonds (distance) C4'-P energy: -121.367
bonds (distance) P-C4' energy: -120.654
flat angles C4'-P-C4' energy: -136.626
flat angles P-C4'-P energy: -67.094
tors. eta vs tors. theta energy: -133.557
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: -1614.228757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.228757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.228757 (E_RNA)
where:
Base-Base interactions energy: -1057.530
where: short stacking energy: -472.381
Base-Backbone interact. energy: -3.924
local terms energy: -552.775050
where:
bonds (distance) C4'-P energy: -127.607
bonds (distance) P-C4' energy: -101.763
flat angles C4'-P-C4' energy: -116.705
flat angles P-C4'-P energy: -77.720
tors. eta vs tors. theta energy: -128.980
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: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1448.958080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.958080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.958080 (E_RNA)
where:
Base-Base interactions energy: -927.154
where: short stacking energy: -390.945
Base-Backbone interact. energy: 2.555
local terms energy: -524.359289
where:
bonds (distance) C4'-P energy: -122.778
bonds (distance) P-C4' energy: -121.583
flat angles C4'-P-C4' energy: -122.399
flat angles P-C4'-P energy: -68.577
tors. eta vs tors. theta energy: -89.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1203.679282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.679282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.679282 (E_RNA)
where:
Base-Base interactions energy: -765.216
where: short stacking energy: -362.675
Base-Backbone interact. energy: -2.308
local terms energy: -436.155001
where:
bonds (distance) C4'-P energy: -108.644
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -95.943
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -73.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -931.980702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.980702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.980702 (E_RNA)
where:
Base-Base interactions energy: -522.498
where: short stacking energy: -276.977
Base-Backbone interact. energy: -1.754
local terms energy: -407.729261
where:
bonds (distance) C4'-P energy: -77.985
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -104.951
flat angles P-C4'-P energy: -67.362
tors. eta vs tors. theta energy: -45.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -554.546883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.546883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.546883 (E_RNA)
where:
Base-Base interactions energy: -246.321
where: short stacking energy: -186.036
Base-Backbone interact. energy: -1.860
local terms energy: -306.366164
where:
bonds (distance) C4'-P energy: -99.292
bonds (distance) P-C4' energy: -84.514
flat angles C4'-P-C4' energy: -77.982
flat angles P-C4'-P energy: -65.508
tors. eta vs tors. theta energy: 20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -554.105511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.105511 (E_RNA)
where:
Base-Base interactions energy: -202.914
where: short stacking energy: -150.981
Base-Backbone interact. energy: -1.159
local terms energy: -350.033318
where:
bonds (distance) C4'-P energy: -103.153
bonds (distance) P-C4' energy: -102.618
flat angles C4'-P-C4' energy: -97.770
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: 8.482
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2123.055985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.055985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.055985 (E_RNA)
where:
Base-Base interactions energy: -1466.006
where: short stacking energy: -611.225
Base-Backbone interact. energy: -9.176
local terms energy: -647.874274
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -124.965
flat angles C4'-P-C4' energy: -142.913
flat angles P-C4'-P energy: -100.647
tors. eta vs tors. theta energy: -167.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1996.497812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.497812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.497812 (E_RNA)
where:
Base-Base interactions energy: -1346.026
where: short stacking energy: -598.564
Base-Backbone interact. energy: -10.289
local terms energy: -640.182423
where:
bonds (distance) C4'-P energy: -134.330
bonds (distance) P-C4' energy: -112.681
flat angles C4'-P-C4' energy: -132.258
flat angles P-C4'-P energy: -92.779
tors. eta vs tors. theta energy: -168.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1863.129060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.129060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.129060 (E_RNA)
where:
Base-Base interactions energy: -1244.869
where: short stacking energy: -562.000
Base-Backbone interact. energy: -0.624
local terms energy: -617.636429
where:
bonds (distance) C4'-P energy: -116.984
bonds (distance) P-C4' energy: -119.702
flat angles C4'-P-C4' energy: -138.824
flat angles P-C4'-P energy: -88.438
tors. eta vs tors. theta energy: -153.688
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: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1768.982297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.982297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.982297 (E_RNA)
where:
Base-Base interactions energy: -1197.567
where: short stacking energy: -505.055
Base-Backbone interact. energy: -2.533
local terms energy: -568.882631
where:
bonds (distance) C4'-P energy: -113.761
bonds (distance) P-C4' energy: -112.990
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -87.976
tors. eta vs tors. theta energy: -120.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1620.173313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.173313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.173313 (E_RNA)
where:
Base-Base interactions energy: -1082.714
where: short stacking energy: -488.414
Base-Backbone interact. energy: -2.034
local terms energy: -535.426074
where:
bonds (distance) C4'-P energy: -119.811
bonds (distance) P-C4' energy: -106.686
flat angles C4'-P-C4' energy: -120.287
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -124.114
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: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1482.646922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.646922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.646922 (E_RNA)
where:
Base-Base interactions energy: -990.187
where: short stacking energy: -397.211
Base-Backbone interact. energy: -3.774
local terms energy: -488.685688
where:
bonds (distance) C4'-P energy: -98.940
bonds (distance) P-C4' energy: -123.776
flat angles C4'-P-C4' energy: -120.137
flat angles P-C4'-P energy: -64.579
tors. eta vs tors. theta energy: -81.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1188.262790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.262790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.262790 (E_RNA)
where:
Base-Base interactions energy: -736.686
where: short stacking energy: -354.259
Base-Backbone interact. energy: 2.519
local terms energy: -454.095475
where:
bonds (distance) C4'-P energy: -103.473
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -96.727
flat angles P-C4'-P energy: -65.510
tors. eta vs tors. theta energy: -82.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -923.260353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.260353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.260353 (E_RNA)
where:
Base-Base interactions energy: -527.307
where: short stacking energy: -278.088
Base-Backbone interact. energy: -2.618
local terms energy: -393.334976
where:
bonds (distance) C4'-P energy: -99.688
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -100.938
flat angles P-C4'-P energy: -49.467
tors. eta vs tors. theta energy: -39.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -544.609901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.609901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.609901 (E_RNA)
where:
Base-Base interactions energy: -187.226
where: short stacking energy: -128.609
Base-Backbone interact. energy: 4.651
local terms energy: -362.034853
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -123.585
flat angles C4'-P-C4' energy: -96.056
flat angles P-C4'-P energy: -52.348
tors. eta vs tors. theta energy: 15.980
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -512.008233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.008233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.008233 (E_RNA)
where:
Base-Base interactions energy: -184.112
where: short stacking energy: -139.210
Base-Backbone interact. energy: 3.562
local terms energy: -331.458323
where:
bonds (distance) C4'-P energy: -100.284
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -87.342
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: 21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2097.060896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.060896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.060896 (E_RNA)
where:
Base-Base interactions energy: -1456.850
where: short stacking energy: -592.783
Base-Backbone interact. energy: -4.576
local terms energy: -635.635389
where:
bonds (distance) C4'-P energy: -118.776
bonds (distance) P-C4' energy: -126.722
flat angles C4'-P-C4' energy: -137.283
flat angles P-C4'-P energy: -89.809
tors. eta vs tors. theta energy: -163.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2006.542135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.542135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.542135 (E_RNA)
where:
Base-Base interactions energy: -1388.429
where: short stacking energy: -597.270
Base-Backbone interact. energy: -2.316
local terms energy: -615.797657
where:
bonds (distance) C4'-P energy: -106.137
bonds (distance) P-C4' energy: -119.085
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -79.993
tors. eta vs tors. theta energy: -172.256
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1845.718516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.718516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.718516 (E_RNA)
where:
Base-Base interactions energy: -1222.187
where: short stacking energy: -543.223
Base-Backbone interact. energy: -1.253
local terms energy: -622.278086
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -123.852
flat angles C4'-P-C4' energy: -131.130
flat angles P-C4'-P energy: -97.002
tors. eta vs tors. theta energy: -145.507
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1783.374489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.374489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.374489 (E_RNA)
where:
Base-Base interactions energy: -1230.162
where: short stacking energy: -521.070
Base-Backbone interact. energy: -1.582
local terms energy: -551.630848
where:
bonds (distance) C4'-P energy: -106.462
bonds (distance) P-C4' energy: -113.498
flat angles C4'-P-C4' energy: -120.139
flat angles P-C4'-P energy: -76.915
tors. eta vs tors. theta energy: -134.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1678.024895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.024895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.024895 (E_RNA)
where:
Base-Base interactions energy: -1137.386
where: short stacking energy: -496.363
Base-Backbone interact. energy: 1.815
local terms energy: -542.453790
where:
bonds (distance) C4'-P energy: -102.538
bonds (distance) P-C4' energy: -111.267
flat angles C4'-P-C4' energy: -127.958
flat angles P-C4'-P energy: -74.150
tors. eta vs tors. theta energy: -126.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1488.553658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.553658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.553658 (E_RNA)
where:
Base-Base interactions energy: -990.635
where: short stacking energy: -436.031
Base-Backbone interact. energy: -3.464
local terms energy: -494.454369
where:
bonds (distance) C4'-P energy: -103.568
bonds (distance) P-C4' energy: -95.627
flat angles C4'-P-C4' energy: -127.113
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -91.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1254.487687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.487687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.487687 (E_RNA)
where:
Base-Base interactions energy: -769.022
where: short stacking energy: -373.150
Base-Backbone interact. energy: -2.505
local terms energy: -482.961216
where:
bonds (distance) C4'-P energy: -103.678
bonds (distance) P-C4' energy: -125.282
flat angles C4'-P-C4' energy: -108.185
flat angles P-C4'-P energy: -60.206
tors. eta vs tors. theta energy: -85.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -926.678382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.678382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.678382 (E_RNA)
where:
Base-Base interactions energy: -534.662
where: short stacking energy: -305.601
Base-Backbone interact. energy: -4.234
local terms energy: -387.782725
where:
bonds (distance) C4'-P energy: -94.171
bonds (distance) P-C4' energy: -104.244
flat angles C4'-P-C4' energy: -105.249
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: -36.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -570.216694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.216694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.216694 (E_RNA)
where:
Base-Base interactions energy: -221.470
where: short stacking energy: -147.296
Base-Backbone interact. energy: -5.174
local terms energy: -343.573101
where:
bonds (distance) C4'-P energy: -110.690
bonds (distance) P-C4' energy: -115.442
flat angles C4'-P-C4' energy: -97.145
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: 13.125
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -499.667016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.667016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.667016 (E_RNA)
where:
Base-Base interactions energy: -155.158
where: short stacking energy: -130.209
Base-Backbone interact. energy: 0.511
local terms energy: -345.019735
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -117.493
flat angles C4'-P-C4' energy: -89.223
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: 35.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2086.232901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.232901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.232901 (E_RNA)
where:
Base-Base interactions energy: -1435.527
where: short stacking energy: -578.204
Base-Backbone interact. energy: -0.036
local terms energy: -650.670033
where:
bonds (distance) C4'-P energy: -126.973
bonds (distance) P-C4' energy: -133.050
flat angles C4'-P-C4' energy: -135.831
flat angles P-C4'-P energy: -97.982
tors. eta vs tors. theta energy: -156.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2001.850689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.850689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.850689 (E_RNA)
where:
Base-Base interactions energy: -1361.351
where: short stacking energy: -583.913
Base-Backbone interact. energy: -0.293
local terms energy: -640.206019
where:
bonds (distance) C4'-P energy: -113.854
bonds (distance) P-C4' energy: -129.100
flat angles C4'-P-C4' energy: -134.359
flat angles P-C4'-P energy: -93.694
tors. eta vs tors. theta energy: -169.199
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: 125
Temperature: 1.000000
Total energy: -1843.556943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.556943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.556943 (E_RNA)
where:
Base-Base interactions energy: -1258.382
where: short stacking energy: -576.184
Base-Backbone interact. energy: -2.701
local terms energy: -582.473426
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -113.561
flat angles C4'-P-C4' energy: -133.624
flat angles P-C4'-P energy: -82.477
tors. eta vs tors. theta energy: -155.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1781.886058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.886058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.886058 (E_RNA)
where:
Base-Base interactions energy: -1208.224
where: short stacking energy: -511.926
Base-Backbone interact. energy: -2.782
local terms energy: -570.879745
where:
bonds (distance) C4'-P energy: -120.078
bonds (distance) P-C4' energy: -113.962
flat angles C4'-P-C4' energy: -132.996
flat angles P-C4'-P energy: -68.305
tors. eta vs tors. theta energy: -135.539
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: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1675.049236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.049236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.049236 (E_RNA)
where:
Base-Base interactions energy: -1117.364
where: short stacking energy: -495.526
Base-Backbone interact. energy: -3.796
local terms energy: -553.889390
where:
bonds (distance) C4'-P energy: -116.469
bonds (distance) P-C4' energy: -115.857
flat angles C4'-P-C4' energy: -117.814
flat angles P-C4'-P energy: -79.595
tors. eta vs tors. theta energy: -124.154
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: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1422.283994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.283994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.283994 (E_RNA)
where:
Base-Base interactions energy: -925.981
where: short stacking energy: -406.433
Base-Backbone interact. energy: -2.153
local terms energy: -494.150025
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -110.904
flat angles C4'-P-C4' energy: -114.695
flat angles P-C4'-P energy: -83.696
tors. eta vs tors. theta energy: -79.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1236.081173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.081173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.081173 (E_RNA)
where:
Base-Base interactions energy: -773.174
where: short stacking energy: -358.967
Base-Backbone interact. energy: 0.683
local terms energy: -463.589822
where:
bonds (distance) C4'-P energy: -107.640
bonds (distance) P-C4' energy: -115.678
flat angles C4'-P-C4' energy: -107.252
flat angles P-C4'-P energy: -61.055
tors. eta vs tors. theta energy: -71.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -940.124080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.124080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.124080 (E_RNA)
where:
Base-Base interactions energy: -520.068
where: short stacking energy: -287.726
Base-Backbone interact. energy: 1.758
local terms energy: -421.814593
where:
bonds (distance) C4'-P energy: -107.333
bonds (distance) P-C4' energy: -114.792
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -53.320
tors. eta vs tors. theta energy: -47.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -563.103637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.103637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.103637 (E_RNA)
where:
Base-Base interactions energy: -232.334
where: short stacking energy: -197.095
Base-Backbone interact. energy: -2.177
local terms energy: -328.592433
where:
bonds (distance) C4'-P energy: -109.273
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -48.043
tors. eta vs tors. theta energy: 12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -479.018102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.018102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.018102 (E_RNA)
where:
Base-Base interactions energy: -166.084
where: short stacking energy: -132.462
Base-Backbone interact. energy: -2.094
local terms energy: -310.839680
where:
bonds (distance) C4'-P energy: -99.209
bonds (distance) P-C4' energy: -102.658
flat angles C4'-P-C4' energy: -90.176
flat angles P-C4'-P energy: -46.720
tors. eta vs tors. theta energy: 27.923
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: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2083.364345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.364345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.364345 (E_RNA)
where:
Base-Base interactions energy: -1452.781
where: short stacking energy: -582.054
Base-Backbone interact. energy: -3.356
local terms energy: -627.226787
where:
bonds (distance) C4'-P energy: -129.859
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -128.411
flat angles P-C4'-P energy: -82.641
tors. eta vs tors. theta energy: -158.596
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: 126
Temperature: 0.950000
Total energy: -2008.899154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.899154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.899154 (E_RNA)
where:
Base-Base interactions energy: -1364.581
where: short stacking energy: -572.247
Base-Backbone interact. energy: -1.495
local terms energy: -642.823276
where:
bonds (distance) C4'-P energy: -124.029
bonds (distance) P-C4' energy: -129.133
flat angles C4'-P-C4' energy: -138.946
flat angles P-C4'-P energy: -97.260
tors. eta vs tors. theta energy: -153.456
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: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1845.082403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.082403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.082403 (E_RNA)
where:
Base-Base interactions energy: -1257.840
where: short stacking energy: -546.416
Base-Backbone interact. energy: -1.452
local terms energy: -585.790484
where:
bonds (distance) C4'-P energy: -121.619
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -136.515
flat angles P-C4'-P energy: -80.174
tors. eta vs tors. theta energy: -140.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1772.518033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.518033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.518033 (E_RNA)
where:
Base-Base interactions energy: -1186.872
where: short stacking energy: -512.219
Base-Backbone interact. energy: 2.032
local terms energy: -587.677824
where:
bonds (distance) C4'-P energy: -112.999
bonds (distance) P-C4' energy: -119.939
flat angles C4'-P-C4' energy: -121.834
flat angles P-C4'-P energy: -90.766
tors. eta vs tors. theta energy: -142.140
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: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1678.487520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.487520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.487520 (E_RNA)
where:
Base-Base interactions energy: -1116.905
where: short stacking energy: -501.449
Base-Backbone interact. energy: -1.420
local terms energy: -560.162101
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -107.512
flat angles C4'-P-C4' energy: -124.789
flat angles P-C4'-P energy: -91.443
tors. eta vs tors. theta energy: -127.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1450.921069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.921069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.921069 (E_RNA)
where:
Base-Base interactions energy: -993.491
where: short stacking energy: -417.204
Base-Backbone interact. energy: -4.592
local terms energy: -452.838038
where:
bonds (distance) C4'-P energy: -107.716
bonds (distance) P-C4' energy: -90.878
flat angles C4'-P-C4' energy: -108.520
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -82.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1243.929365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.929365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.929365 (E_RNA)
where:
Base-Base interactions energy: -751.546
where: short stacking energy: -320.114
Base-Backbone interact. energy: 2.319
local terms energy: -494.702521
where:
bonds (distance) C4'-P energy: -111.457
bonds (distance) P-C4' energy: -116.783
flat angles C4'-P-C4' energy: -112.103
flat angles P-C4'-P energy: -79.910
tors. eta vs tors. theta energy: -74.449
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: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -918.481680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.481680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.481680 (E_RNA)
where:
Base-Base interactions energy: -511.678
where: short stacking energy: -254.436
Base-Backbone interact. energy: -2.930
local terms energy: -403.874377
where:
bonds (distance) C4'-P energy: -111.139
bonds (distance) P-C4' energy: -100.312
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -591.587595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.587595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.587595 (E_RNA)
where:
Base-Base interactions energy: -239.609
where: short stacking energy: -172.917
Base-Backbone interact. energy: -1.528
local terms energy: -350.450668
where:
bonds (distance) C4'-P energy: -95.369
bonds (distance) P-C4' energy: -121.592
flat angles C4'-P-C4' energy: -85.423
flat angles P-C4'-P energy: -53.583
tors. eta vs tors. theta energy: 5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -577.302041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.302041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.302041 (E_RNA)
where:
Base-Base interactions energy: -247.248
where: short stacking energy: -164.762
Base-Backbone interact. energy: 4.422
local terms energy: -334.476689
where:
bonds (distance) C4'-P energy: -91.360
bonds (distance) P-C4' energy: -107.093
flat angles C4'-P-C4' energy: -83.675
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: 5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2139.338343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.338343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.338343 (E_RNA)
where:
Base-Base interactions energy: -1478.136
where: short stacking energy: -587.800
Base-Backbone interact. energy: -3.158
local terms energy: -658.045205
where:
bonds (distance) C4'-P energy: -122.129
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -100.826
tors. eta vs tors. theta energy: -146.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2008.189098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.189098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.189098 (E_RNA)
where:
Base-Base interactions energy: -1394.084
where: short stacking energy: -598.616
Base-Backbone interact. energy: -5.993
local terms energy: -608.112593
where:
bonds (distance) C4'-P energy: -98.057
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -127.848
flat angles P-C4'-P energy: -89.925
tors. eta vs tors. theta energy: -175.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1831.597193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.597193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.597193 (E_RNA)
where:
Base-Base interactions energy: -1237.225
where: short stacking energy: -550.896
Base-Backbone interact. energy: -3.120
local terms energy: -591.252098
where:
bonds (distance) C4'-P energy: -115.991
bonds (distance) P-C4' energy: -132.984
flat angles C4'-P-C4' energy: -119.056
flat angles P-C4'-P energy: -76.835
tors. eta vs tors. theta energy: -146.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1781.281245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.281245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.281245 (E_RNA)
where:
Base-Base interactions energy: -1214.285
where: short stacking energy: -513.321
Base-Backbone interact. energy: -2.613
local terms energy: -564.382538
where:
bonds (distance) C4'-P energy: -122.209
bonds (distance) P-C4' energy: -114.983
flat angles C4'-P-C4' energy: -119.465
flat angles P-C4'-P energy: -78.593
tors. eta vs tors. theta energy: -129.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1699.254718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.254718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.254718 (E_RNA)
where:
Base-Base interactions energy: -1109.098
where: short stacking energy: -508.702
Base-Backbone interact. energy: -0.410
local terms energy: -589.747097
where:
bonds (distance) C4'-P energy: -114.250
bonds (distance) P-C4' energy: -115.590
flat angles C4'-P-C4' energy: -132.009
flat angles P-C4'-P energy: -91.430
tors. eta vs tors. theta energy: -136.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1443.327216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.327216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.327216 (E_RNA)
where:
Base-Base interactions energy: -951.098
where: short stacking energy: -426.818
Base-Backbone interact. energy: -0.791
local terms energy: -491.438352
where:
bonds (distance) C4'-P energy: -108.820
bonds (distance) P-C4' energy: -116.924
flat angles C4'-P-C4' energy: -117.852
flat angles P-C4'-P energy: -62.794
tors. eta vs tors. theta energy: -85.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1260.535196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.535196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.535196 (E_RNA)
where:
Base-Base interactions energy: -812.344
where: short stacking energy: -368.864
Base-Backbone interact. energy: -2.694
local terms energy: -445.497091
where:
bonds (distance) C4'-P energy: -111.056
bonds (distance) P-C4' energy: -107.497
flat angles C4'-P-C4' energy: -94.866
flat angles P-C4'-P energy: -60.915
tors. eta vs tors. theta energy: -71.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -925.311443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.311443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.311443 (E_RNA)
where:
Base-Base interactions energy: -517.702
where: short stacking energy: -291.073
Base-Backbone interact. energy: 0.103
local terms energy: -407.712156
where:
bonds (distance) C4'-P energy: -102.764
bonds (distance) P-C4' energy: -98.543
flat angles C4'-P-C4' energy: -93.871
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -45.790
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -552.618632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.618632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.618632 (E_RNA)
where:
Base-Base interactions energy: -218.077
where: short stacking energy: -169.328
Base-Backbone interact. energy: 1.076
local terms energy: -335.617541
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -100.373
flat angles C4'-P-C4' energy: -95.270
flat angles P-C4'-P energy: -64.076
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -485.844199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.844199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.844199 (E_RNA)
where:
Base-Base interactions energy: -199.284
where: short stacking energy: -154.816
Base-Backbone interact. energy: 1.122
local terms energy: -287.681571
where:
bonds (distance) C4'-P energy: -101.591
bonds (distance) P-C4' energy: -99.623
flat angles C4'-P-C4' energy: -65.014
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: 13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2097.722329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.722329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.722329 (E_RNA)
where:
Base-Base interactions energy: -1475.481
where: short stacking energy: -598.642
Base-Backbone interact. energy: -5.071
local terms energy: -617.170763
where:
bonds (distance) C4'-P energy: -116.489
bonds (distance) P-C4' energy: -117.403
flat angles C4'-P-C4' energy: -142.058
flat angles P-C4'-P energy: -85.100
tors. eta vs tors. theta energy: -156.121
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: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1978.183004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.183004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.183004 (E_RNA)
where:
Base-Base interactions energy: -1350.444
where: short stacking energy: -577.987
Base-Backbone interact. energy: -4.823
local terms energy: -622.915457
where:
bonds (distance) C4'-P energy: -122.186
bonds (distance) P-C4' energy: -116.575
flat angles C4'-P-C4' energy: -128.810
flat angles P-C4'-P energy: -86.954
tors. eta vs tors. theta energy: -168.389
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1783.888160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.888160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.888160 (E_RNA)
where:
Base-Base interactions energy: -1174.338
where: short stacking energy: -538.136
Base-Backbone interact. energy: -2.177
local terms energy: -607.372443
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -133.258
flat angles C4'-P-C4' energy: -138.007
flat angles P-C4'-P energy: -98.034
tors. eta vs tors. theta energy: -139.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1741.978064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.978064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.978064 (E_RNA)
where:
Base-Base interactions energy: -1176.217
where: short stacking energy: -499.717
Base-Backbone interact. energy: 4.834
local terms energy: -570.595409
where:
bonds (distance) C4'-P energy: -107.661
bonds (distance) P-C4' energy: -109.114
flat angles C4'-P-C4' energy: -127.639
flat angles P-C4'-P energy: -83.531
tors. eta vs tors. theta energy: -142.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1669.332282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.332282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.332282 (E_RNA)
where:
Base-Base interactions energy: -1092.626
where: short stacking energy: -484.446
Base-Backbone interact. energy: -2.584
local terms energy: -574.123074
where:
bonds (distance) C4'-P energy: -108.129
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -122.637
flat angles P-C4'-P energy: -85.171
tors. eta vs tors. theta energy: -137.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1455.710814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.710814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.710814 (E_RNA)
where:
Base-Base interactions energy: -962.877
where: short stacking energy: -427.940
Base-Backbone interact. energy: -2.147
local terms energy: -490.686870
where:
bonds (distance) C4'-P energy: -107.043
bonds (distance) P-C4' energy: -108.430
flat angles C4'-P-C4' energy: -121.065
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -94.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1329.781555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.781555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.781555 (E_RNA)
where:
Base-Base interactions energy: -843.934
where: short stacking energy: -424.991
Base-Backbone interact. energy: 8.750
local terms energy: -494.597745
where:
bonds (distance) C4'-P energy: -100.109
bonds (distance) P-C4' energy: -99.410
flat angles C4'-P-C4' energy: -119.781
flat angles P-C4'-P energy: -79.265
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -875.994601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.994601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.994601 (E_RNA)
where:
Base-Base interactions energy: -474.723
where: short stacking energy: -258.183
Base-Backbone interact. energy: -0.996
local terms energy: -400.275575
where:
bonds (distance) C4'-P energy: -103.057
bonds (distance) P-C4' energy: -98.323
flat angles C4'-P-C4' energy: -117.270
flat angles P-C4'-P energy: -65.420
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -557.065556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.065556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.065556 (E_RNA)
where:
Base-Base interactions energy: -214.131
where: short stacking energy: -178.899
Base-Backbone interact. energy: 0.766
local terms energy: -343.700012
where:
bonds (distance) C4'-P energy: -104.305
bonds (distance) P-C4' energy: -96.877
flat angles C4'-P-C4' energy: -87.957
flat angles P-C4'-P energy: -66.499
tors. eta vs tors. theta energy: 11.939
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: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -508.430630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.430630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.430630 (E_RNA)
where:
Base-Base interactions energy: -193.744
where: short stacking energy: -153.516
Base-Backbone interact. energy: 1.363
local terms energy: -316.050381
where:
bonds (distance) C4'-P energy: -113.148
bonds (distance) P-C4' energy: -98.151
flat angles C4'-P-C4' energy: -95.475
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: 31.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2127.538061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.538061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.538061 (E_RNA)
where:
Base-Base interactions energy: -1470.404
where: short stacking energy: -582.125
Base-Backbone interact. energy: -0.155
local terms energy: -656.979284
where:
bonds (distance) C4'-P energy: -132.565
bonds (distance) P-C4' energy: -135.372
flat angles C4'-P-C4' energy: -143.745
flat angles P-C4'-P energy: -79.749
tors. eta vs tors. theta energy: -165.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1978.319837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.319837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.319837 (E_RNA)
where:
Base-Base interactions energy: -1361.227
where: short stacking energy: -575.076
Base-Backbone interact. energy: -1.524
local terms energy: -615.569222
where:
bonds (distance) C4'-P energy: -107.218
bonds (distance) P-C4' energy: -136.349
flat angles C4'-P-C4' energy: -136.098
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -163.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1846.080794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.080794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.080794 (E_RNA)
where:
Base-Base interactions energy: -1250.308
where: short stacking energy: -537.403
Base-Backbone interact. energy: 0.871
local terms energy: -596.643464
where:
bonds (distance) C4'-P energy: -102.588
bonds (distance) P-C4' energy: -126.885
flat angles C4'-P-C4' energy: -129.239
flat angles P-C4'-P energy: -88.770
tors. eta vs tors. theta energy: -149.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1782.336531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.336531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.336531 (E_RNA)
where:
Base-Base interactions energy: -1206.250
where: short stacking energy: -529.333
Base-Backbone interact. energy: -4.604
local terms energy: -571.481783
where:
bonds (distance) C4'-P energy: -113.533
bonds (distance) P-C4' energy: -117.575
flat angles C4'-P-C4' energy: -128.907
flat angles P-C4'-P energy: -87.761
tors. eta vs tors. theta energy: -123.706
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: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1643.830993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.830993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.830993 (E_RNA)
where:
Base-Base interactions energy: -1072.631
where: short stacking energy: -495.001
Base-Backbone interact. energy: -3.163
local terms energy: -568.037056
where:
bonds (distance) C4'-P energy: -105.717
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -129.296
flat angles P-C4'-P energy: -92.360
tors. eta vs tors. theta energy: -134.021
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1387.992328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.992328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.992328 (E_RNA)
where:
Base-Base interactions energy: -884.835
where: short stacking energy: -399.978
Base-Backbone interact. energy: -2.007
local terms energy: -501.150357
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -126.485
flat angles C4'-P-C4' energy: -115.811
flat angles P-C4'-P energy: -81.846
tors. eta vs tors. theta energy: -78.882
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: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1266.059845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.059845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.059845 (E_RNA)
where:
Base-Base interactions energy: -800.778
where: short stacking energy: -419.361
Base-Backbone interact. energy: -1.298
local terms energy: -463.984009
where:
bonds (distance) C4'-P energy: -95.654
bonds (distance) P-C4' energy: -88.296
flat angles C4'-P-C4' energy: -122.309
flat angles P-C4'-P energy: -66.305
tors. eta vs tors. theta energy: -91.420
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: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -901.034437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.034437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.034437 (E_RNA)
where:
Base-Base interactions energy: -488.530
where: short stacking energy: -251.591
Base-Backbone interact. energy: -1.884
local terms energy: -410.621051
where:
bonds (distance) C4'-P energy: -101.892
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -95.976
flat angles P-C4'-P energy: -56.684
tors. eta vs tors. theta energy: -45.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -576.041113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.041113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.041113 (E_RNA)
where:
Base-Base interactions energy: -222.970
where: short stacking energy: -142.916
Base-Backbone interact. energy: -5.696
local terms energy: -347.375216
where:
bonds (distance) C4'-P energy: -107.021
bonds (distance) P-C4' energy: -106.368
flat angles C4'-P-C4' energy: -93.602
flat angles P-C4'-P energy: -65.826
tors. eta vs tors. theta energy: 25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -504.386104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.386104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.386104 (E_RNA)
where:
Base-Base interactions energy: -188.279
where: short stacking energy: -150.988
Base-Backbone interact. energy: 2.618
local terms energy: -318.725549
where:
bonds (distance) C4'-P energy: -107.105
bonds (distance) P-C4' energy: -109.229
flat angles C4'-P-C4' energy: -69.597
flat angles P-C4'-P energy: -47.880
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: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2099.186196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.186196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.186196 (E_RNA)
where:
Base-Base interactions energy: -1470.562
where: short stacking energy: -585.066
Base-Backbone interact. energy: -4.710
local terms energy: -623.913931
where:
bonds (distance) C4'-P energy: -124.405
bonds (distance) P-C4' energy: -134.099
flat angles C4'-P-C4' energy: -133.804
flat angles P-C4'-P energy: -79.209
tors. eta vs tors. theta energy: -152.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1984.412058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.412058 (E_RNA)
where:
Base-Base interactions energy: -1351.745
where: short stacking energy: -568.776
Base-Backbone interact. energy: -0.389
local terms energy: -632.277751
where:
bonds (distance) C4'-P energy: -130.241
bonds (distance) P-C4' energy: -113.022
flat angles C4'-P-C4' energy: -142.075
flat angles P-C4'-P energy: -81.654
tors. eta vs tors. theta energy: -165.285
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1882.957885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.957885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.957885 (E_RNA)
where:
Base-Base interactions energy: -1276.523
where: short stacking energy: -569.164
Base-Backbone interact. energy: -1.812
local terms energy: -604.623158
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -119.625
flat angles C4'-P-C4' energy: -141.159
flat angles P-C4'-P energy: -91.661
tors. eta vs tors. theta energy: -149.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1765.698836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.698836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.698836 (E_RNA)
where:
Base-Base interactions energy: -1195.797
where: short stacking energy: -524.768
Base-Backbone interact. energy: -2.735
local terms energy: -567.166959
where:
bonds (distance) C4'-P energy: -110.883
bonds (distance) P-C4' energy: -118.676
flat angles C4'-P-C4' energy: -120.240
flat angles P-C4'-P energy: -73.297
tors. eta vs tors. theta energy: -144.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1587.114452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.114452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.114452 (E_RNA)
where:
Base-Base interactions energy: -1048.001
where: short stacking energy: -479.315
Base-Backbone interact. energy: 0.407
local terms energy: -539.520732
where:
bonds (distance) C4'-P energy: -93.808
bonds (distance) P-C4' energy: -122.697
flat angles C4'-P-C4' energy: -127.652
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -124.969
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: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1409.658989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.658989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.658989 (E_RNA)
where:
Base-Base interactions energy: -898.926
where: short stacking energy: -412.953
Base-Backbone interact. energy: 2.475
local terms energy: -513.208447
where:
bonds (distance) C4'-P energy: -118.576
bonds (distance) P-C4' energy: -118.205
flat angles C4'-P-C4' energy: -115.929
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -93.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1275.099415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.099415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.099415 (E_RNA)
where:
Base-Base interactions energy: -777.176
where: short stacking energy: -365.456
Base-Backbone interact. energy: -2.494
local terms energy: -495.429825
where:
bonds (distance) C4'-P energy: -97.478
bonds (distance) P-C4' energy: -125.636
flat angles C4'-P-C4' energy: -123.533
flat angles P-C4'-P energy: -63.951
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: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -912.161597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.161597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.161597 (E_RNA)
where:
Base-Base interactions energy: -487.667
where: short stacking energy: -247.738
Base-Backbone interact. energy: -3.530
local terms energy: -420.964820
where:
bonds (distance) C4'-P energy: -98.481
bonds (distance) P-C4' energy: -133.101
flat angles C4'-P-C4' energy: -94.279
flat angles P-C4'-P energy: -64.587
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -577.401524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.401524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.401524 (E_RNA)
where:
Base-Base interactions energy: -236.807
where: short stacking energy: -146.936
Base-Backbone interact. energy: 2.442
local terms energy: -343.036453
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -84.323
flat angles P-C4'-P energy: -64.371
tors. eta vs tors. theta energy: 15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -474.346341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.346341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.346341 (E_RNA)
where:
Base-Base interactions energy: -163.250
where: short stacking energy: -131.015
Base-Backbone interact. energy: 1.892
local terms energy: -312.988121
where:
bonds (distance) C4'-P energy: -97.931
bonds (distance) P-C4' energy: -96.869
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -59.597
tors. eta vs tors. theta energy: 17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2093.531303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.531303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.531303 (E_RNA)
where:
Base-Base interactions energy: -1434.768
where: short stacking energy: -576.889
Base-Backbone interact. energy: -0.509
local terms energy: -658.254168
where:
bonds (distance) C4'-P energy: -143.519
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -138.906
flat angles P-C4'-P energy: -89.060
tors. eta vs tors. theta energy: -156.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2061.552976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.552976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.552976 (E_RNA)
where:
Base-Base interactions energy: -1395.054
where: short stacking energy: -585.081
Base-Backbone interact. energy: -3.317
local terms energy: -663.182147
where:
bonds (distance) C4'-P energy: -122.697
bonds (distance) P-C4' energy: -130.505
flat angles C4'-P-C4' energy: -143.146
flat angles P-C4'-P energy: -94.265
tors. eta vs tors. theta energy: -172.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1914.876011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.876011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.876011 (E_RNA)
where:
Base-Base interactions energy: -1301.126
where: short stacking energy: -559.314
Base-Backbone interact. energy: -0.297
local terms energy: -613.452481
where:
bonds (distance) C4'-P energy: -120.128
bonds (distance) P-C4' energy: -115.064
flat angles C4'-P-C4' energy: -153.303
flat angles P-C4'-P energy: -79.392
tors. eta vs tors. theta energy: -145.565
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: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1793.006879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.006879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.006879 (E_RNA)
where:
Base-Base interactions energy: -1220.469
where: short stacking energy: -536.204
Base-Backbone interact. energy: -2.984
local terms energy: -569.553870
where:
bonds (distance) C4'-P energy: -107.824
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -129.322
flat angles P-C4'-P energy: -76.419
tors. eta vs tors. theta energy: -145.176
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: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1664.820707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.820707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.820707 (E_RNA)
where:
Base-Base interactions energy: -1089.952
where: short stacking energy: -507.553
Base-Backbone interact. energy: -2.139
local terms energy: -572.729963
where:
bonds (distance) C4'-P energy: -109.114
bonds (distance) P-C4' energy: -118.239
flat angles C4'-P-C4' energy: -122.567
flat angles P-C4'-P energy: -84.060
tors. eta vs tors. theta energy: -138.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1303.036642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.036642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.036642 (E_RNA)
where:
Base-Base interactions energy: -803.866
where: short stacking energy: -396.146
Base-Backbone interact. energy: -4.130
local terms energy: -495.040784
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -121.189
flat angles C4'-P-C4' energy: -113.626
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -95.076
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: 131
Temperature: 1.200000
Total energy: -1299.403557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.403557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.403557 (E_RNA)
where:
Base-Base interactions energy: -823.134
where: short stacking energy: -364.537
Base-Backbone interact. energy: 2.418
local terms energy: -478.687199
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -120.452
flat angles C4'-P-C4' energy: -112.815
flat angles P-C4'-P energy: -73.583
tors. eta vs tors. theta energy: -66.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -888.610644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.610644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.610644 (E_RNA)
where:
Base-Base interactions energy: -550.898
where: short stacking energy: -274.814
Base-Backbone interact. energy: 1.146
local terms energy: -338.858587
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -118.593
flat angles C4'-P-C4' energy: -94.259
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -3.529
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: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -605.559526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.559526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.559526 (E_RNA)
where:
Base-Base interactions energy: -245.486
where: short stacking energy: -191.515
Base-Backbone interact. energy: 0.512
local terms energy: -360.585479
where:
bonds (distance) C4'-P energy: -97.090
bonds (distance) P-C4' energy: -100.377
flat angles C4'-P-C4' energy: -94.872
flat angles P-C4'-P energy: -64.445
tors. eta vs tors. theta energy: -3.801
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: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -512.741815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.741815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.741815 (E_RNA)
where:
Base-Base interactions energy: -197.001
where: short stacking energy: -143.721
Base-Backbone interact. energy: 1.830
local terms energy: -317.570669
where:
bonds (distance) C4'-P energy: -98.365
bonds (distance) P-C4' energy: -100.652
flat angles C4'-P-C4' energy: -88.573
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: 18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2089.871643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.871643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.871643 (E_RNA)
where:
Base-Base interactions energy: -1457.004
where: short stacking energy: -599.060
Base-Backbone interact. energy: -4.373
local terms energy: -628.494789
where:
bonds (distance) C4'-P energy: -118.638
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -138.503
flat angles P-C4'-P energy: -93.081
tors. eta vs tors. theta energy: -152.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2061.028893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.028893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.028893 (E_RNA)
where:
Base-Base interactions energy: -1416.243
where: short stacking energy: -578.558
Base-Backbone interact. energy: -4.274
local terms energy: -640.511914
where:
bonds (distance) C4'-P energy: -103.348
bonds (distance) P-C4' energy: -128.307
flat angles C4'-P-C4' energy: -145.497
flat angles P-C4'-P energy: -90.979
tors. eta vs tors. theta energy: -172.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1940.508842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.508842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.508842 (E_RNA)
where:
Base-Base interactions energy: -1325.693
where: short stacking energy: -562.197
Base-Backbone interact. energy: -5.831
local terms energy: -608.985184
where:
bonds (distance) C4'-P energy: -124.901
bonds (distance) P-C4' energy: -122.308
flat angles C4'-P-C4' energy: -127.917
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -162.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1794.602153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.602153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.602153 (E_RNA)
where:
Base-Base interactions energy: -1213.249
where: short stacking energy: -531.676
Base-Backbone interact. energy: -4.979
local terms energy: -576.374035
where:
bonds (distance) C4'-P energy: -117.991
bonds (distance) P-C4' energy: -116.204
flat angles C4'-P-C4' energy: -125.017
flat angles P-C4'-P energy: -76.174
tors. eta vs tors. theta energy: -140.988
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1652.905558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.905558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.905558 (E_RNA)
where:
Base-Base interactions energy: -1096.034
where: short stacking energy: -496.545
Base-Backbone interact. energy: -2.205
local terms energy: -554.666596
where:
bonds (distance) C4'-P energy: -116.311
bonds (distance) P-C4' energy: -117.832
flat angles C4'-P-C4' energy: -114.077
flat angles P-C4'-P energy: -80.974
tors. eta vs tors. theta energy: -125.473
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1299.142214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.142214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.142214 (E_RNA)
where:
Base-Base interactions energy: -821.309
where: short stacking energy: -370.723
Base-Backbone interact. energy: 1.765
local terms energy: -479.598152
where:
bonds (distance) C4'-P energy: -110.666
bonds (distance) P-C4' energy: -116.243
flat angles C4'-P-C4' energy: -112.069
flat angles P-C4'-P energy: -52.054
tors. eta vs tors. theta energy: -88.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1306.199248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.199248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.199248 (E_RNA)
where:
Base-Base interactions energy: -836.730
where: short stacking energy: -390.799
Base-Backbone interact. energy: 3.326
local terms energy: -472.795373
where:
bonds (distance) C4'-P energy: -108.655
bonds (distance) P-C4' energy: -102.167
flat angles C4'-P-C4' energy: -110.568
flat angles P-C4'-P energy: -65.883
tors. eta vs tors. theta energy: -85.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -883.601597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.601597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.601597 (E_RNA)
where:
Base-Base interactions energy: -498.948
where: short stacking energy: -264.288
Base-Backbone interact. energy: 6.421
local terms energy: -391.074630
where:
bonds (distance) C4'-P energy: -100.064
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -97.348
flat angles P-C4'-P energy: -56.714
tors. eta vs tors. theta energy: -34.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -592.813018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.813018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.813018 (E_RNA)
where:
Base-Base interactions energy: -244.575
where: short stacking energy: -159.594
Base-Backbone interact. energy: -2.295
local terms energy: -345.943426
where:
bonds (distance) C4'-P energy: -103.632
bonds (distance) P-C4' energy: -113.973
flat angles C4'-P-C4' energy: -89.071
flat angles P-C4'-P energy: -54.274
tors. eta vs tors. theta energy: 15.006
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: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -496.385353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.385353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.385353 (E_RNA)
where:
Base-Base interactions energy: -183.365
where: short stacking energy: -136.950
Base-Backbone interact. energy: -3.405
local terms energy: -309.615180
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -116.120
flat angles C4'-P-C4' energy: -71.074
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: 27.702
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: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2099.739948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.739948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.739948 (E_RNA)
where:
Base-Base interactions energy: -1471.368
where: short stacking energy: -606.674
Base-Backbone interact. energy: -2.051
local terms energy: -626.320972
where:
bonds (distance) C4'-P energy: -108.861
bonds (distance) P-C4' energy: -122.501
flat angles C4'-P-C4' energy: -148.225
flat angles P-C4'-P energy: -92.621
tors. eta vs tors. theta energy: -154.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1985.950473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.950473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.950473 (E_RNA)
where:
Base-Base interactions energy: -1369.829
where: short stacking energy: -579.724
Base-Backbone interact. energy: 2.719
local terms energy: -618.841002
where:
bonds (distance) C4'-P energy: -111.848
bonds (distance) P-C4' energy: -128.398
flat angles C4'-P-C4' energy: -134.647
flat angles P-C4'-P energy: -88.646
tors. eta vs tors. theta energy: -155.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1955.345796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.345796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.345796 (E_RNA)
where:
Base-Base interactions energy: -1327.762
where: short stacking energy: -534.849
Base-Backbone interact. energy: -3.546
local terms energy: -624.037698
where:
bonds (distance) C4'-P energy: -100.865
bonds (distance) P-C4' energy: -128.753
flat angles C4'-P-C4' energy: -135.511
flat angles P-C4'-P energy: -93.971
tors. eta vs tors. theta energy: -164.937
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: 133
Temperature: 1.050000
Total energy: -1772.458528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.458528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.458528 (E_RNA)
where:
Base-Base interactions energy: -1201.804
where: short stacking energy: -534.129
Base-Backbone interact. energy: -1.549
local terms energy: -569.105363
where:
bonds (distance) C4'-P energy: -119.071
bonds (distance) P-C4' energy: -121.945
flat angles C4'-P-C4' energy: -114.283
flat angles P-C4'-P energy: -72.975
tors. eta vs tors. theta energy: -140.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1607.249732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.249732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.249732 (E_RNA)
where:
Base-Base interactions energy: -1082.574
where: short stacking energy: -518.054
Base-Backbone interact. energy: 0.015
local terms energy: -524.690740
where:
bonds (distance) C4'-P energy: -99.875
bonds (distance) P-C4' energy: -103.487
flat angles C4'-P-C4' energy: -118.028
flat angles P-C4'-P energy: -77.331
tors. eta vs tors. theta energy: -125.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1273.609038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.609038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.609038 (E_RNA)
where:
Base-Base interactions energy: -774.702
where: short stacking energy: -381.418
Base-Backbone interact. energy: -0.810
local terms energy: -498.097597
where:
bonds (distance) C4'-P energy: -123.926
bonds (distance) P-C4' energy: -125.904
flat angles C4'-P-C4' energy: -99.244
flat angles P-C4'-P energy: -63.797
tors. eta vs tors. theta energy: -85.227
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1306.469040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.469040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.469040 (E_RNA)
where:
Base-Base interactions energy: -815.556
where: short stacking energy: -376.231
Base-Backbone interact. energy: 2.320
local terms energy: -493.233427
where:
bonds (distance) C4'-P energy: -106.537
bonds (distance) P-C4' energy: -122.863
flat angles C4'-P-C4' energy: -109.661
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -84.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -991.712086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.712086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.712086 (E_RNA)
where:
Base-Base interactions energy: -560.827
where: short stacking energy: -292.807
Base-Backbone interact. energy: 3.993
local terms energy: -434.877883
where:
bonds (distance) C4'-P energy: -111.679
bonds (distance) P-C4' energy: -111.502
flat angles C4'-P-C4' energy: -108.942
flat angles P-C4'-P energy: -76.695
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -591.887738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.887738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.887738 (E_RNA)
where:
Base-Base interactions energy: -281.046
where: short stacking energy: -160.934
Base-Backbone interact. energy: 1.325
local terms energy: -312.166376
where:
bonds (distance) C4'-P energy: -101.639
bonds (distance) P-C4' energy: -92.149
flat angles C4'-P-C4' energy: -86.116
flat angles P-C4'-P energy: -49.630
tors. eta vs tors. theta energy: 17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -492.342944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.342944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.342944 (E_RNA)
where:
Base-Base interactions energy: -167.878
where: short stacking energy: -134.271
Base-Backbone interact. energy: -0.200
local terms energy: -324.265283
where:
bonds (distance) C4'-P energy: -94.437
bonds (distance) P-C4' energy: -88.063
flat angles C4'-P-C4' energy: -86.657
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -2.484
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: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2089.159560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.159560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.159560 (E_RNA)
where:
Base-Base interactions energy: -1467.344
where: short stacking energy: -584.482
Base-Backbone interact. energy: -6.123
local terms energy: -615.693048
where:
bonds (distance) C4'-P energy: -106.787
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -153.761
flat angles P-C4'-P energy: -94.318
tors. eta vs tors. theta energy: -143.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1959.201375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.201375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.201375 (E_RNA)
where:
Base-Base interactions energy: -1315.450
where: short stacking energy: -579.032
Base-Backbone interact. energy: -3.708
local terms energy: -640.043451
where:
bonds (distance) C4'-P energy: -124.770
bonds (distance) P-C4' energy: -119.926
flat angles C4'-P-C4' energy: -138.205
flat angles P-C4'-P energy: -94.683
tors. eta vs tors. theta energy: -162.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1922.580213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.580213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.580213 (E_RNA)
where:
Base-Base interactions energy: -1303.039
where: short stacking energy: -554.295
Base-Backbone interact. energy: -1.590
local terms energy: -617.950695
where:
bonds (distance) C4'-P energy: -106.791
bonds (distance) P-C4' energy: -121.846
flat angles C4'-P-C4' energy: -137.798
flat angles P-C4'-P energy: -93.161
tors. eta vs tors. theta energy: -158.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1727.827430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.827430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.827430 (E_RNA)
where:
Base-Base interactions energy: -1155.650
where: short stacking energy: -497.230
Base-Backbone interact. energy: -1.093
local terms energy: -571.084482
where:
bonds (distance) C4'-P energy: -114.152
bonds (distance) P-C4' energy: -119.852
flat angles C4'-P-C4' energy: -126.705
flat angles P-C4'-P energy: -83.998
tors. eta vs tors. theta energy: -126.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1611.112427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.112427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.112427 (E_RNA)
where:
Base-Base interactions energy: -1050.270
where: short stacking energy: -491.466
Base-Backbone interact. energy: 2.460
local terms energy: -563.302286
where:
bonds (distance) C4'-P energy: -103.284
bonds (distance) P-C4' energy: -110.389
flat angles C4'-P-C4' energy: -127.321
flat angles P-C4'-P energy: -78.175
tors. eta vs tors. theta energy: -144.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1210.182668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.182668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.182668 (E_RNA)
where:
Base-Base interactions energy: -724.735
where: short stacking energy: -352.520
Base-Backbone interact. energy: -1.071
local terms energy: -484.376063
where:
bonds (distance) C4'-P energy: -106.315
bonds (distance) P-C4' energy: -111.189
flat angles C4'-P-C4' energy: -112.398
flat angles P-C4'-P energy: -84.067
tors. eta vs tors. theta energy: -70.407
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: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1335.384255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.384255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.384255 (E_RNA)
where:
Base-Base interactions energy: -842.410
where: short stacking energy: -397.250
Base-Backbone interact. energy: -2.071
local terms energy: -490.903174
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -108.853
flat angles C4'-P-C4' energy: -108.728
flat angles P-C4'-P energy: -75.517
tors. eta vs tors. theta energy: -92.230
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: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -963.042580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.042580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.042580 (E_RNA)
where:
Base-Base interactions energy: -552.380
where: short stacking energy: -290.999
Base-Backbone interact. energy: -2.027
local terms energy: -408.635279
where:
bonds (distance) C4'-P energy: -109.201
bonds (distance) P-C4' energy: -111.823
flat angles C4'-P-C4' energy: -93.963
flat angles P-C4'-P energy: -51.493
tors. eta vs tors. theta energy: -42.155
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: 134
Temperature: 1.300000
Total energy: -594.619505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.619505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.619505 (E_RNA)
where:
Base-Base interactions energy: -260.297
where: short stacking energy: -180.486
Base-Backbone interact. energy: 4.026
local terms energy: -338.347733
where:
bonds (distance) C4'-P energy: -108.638
bonds (distance) P-C4' energy: -102.430
flat angles C4'-P-C4' energy: -82.248
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: 8.071
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -537.073223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.073223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.073223 (E_RNA)
where:
Base-Base interactions energy: -212.177
where: short stacking energy: -139.907
Base-Backbone interact. energy: 4.381
local terms energy: -329.277252
where:
bonds (distance) C4'-P energy: -109.761
bonds (distance) P-C4' energy: -114.467
flat angles C4'-P-C4' energy: -84.347
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: 20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2093.287886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.287886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.287886 (E_RNA)
where:
Base-Base interactions energy: -1444.174
where: short stacking energy: -586.464
Base-Backbone interact. energy: -2.791
local terms energy: -646.323708
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -120.379
flat angles C4'-P-C4' energy: -140.857
flat angles P-C4'-P energy: -100.111
tors. eta vs tors. theta energy: -156.476
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1982.131427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.131427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.131427 (E_RNA)
where:
Base-Base interactions energy: -1346.034
where: short stacking energy: -592.586
Base-Backbone interact. energy: -2.920
local terms energy: -633.177701
where:
bonds (distance) C4'-P energy: -130.189
bonds (distance) P-C4' energy: -119.408
flat angles C4'-P-C4' energy: -137.669
flat angles P-C4'-P energy: -79.793
tors. eta vs tors. theta energy: -166.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1893.663895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.663895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.663895 (E_RNA)
where:
Base-Base interactions energy: -1285.021
where: short stacking energy: -567.080
Base-Backbone interact. energy: -3.775
local terms energy: -604.867556
where:
bonds (distance) C4'-P energy: -126.848
bonds (distance) P-C4' energy: -117.601
flat angles C4'-P-C4' energy: -133.904
flat angles P-C4'-P energy: -78.346
tors. eta vs tors. theta energy: -148.168
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: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1771.814743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.814743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.814743 (E_RNA)
where:
Base-Base interactions energy: -1206.166
where: short stacking energy: -499.982
Base-Backbone interact. energy: -2.053
local terms energy: -563.595584
where:
bonds (distance) C4'-P energy: -109.561
bonds (distance) P-C4' energy: -127.871
flat angles C4'-P-C4' energy: -117.927
flat angles P-C4'-P energy: -85.782
tors. eta vs tors. theta energy: -122.455
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1610.996881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.996881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.996881 (E_RNA)
where:
Base-Base interactions energy: -1062.355
where: short stacking energy: -478.938
Base-Backbone interact. energy: 0.544
local terms energy: -549.186059
where:
bonds (distance) C4'-P energy: -108.794
bonds (distance) P-C4' energy: -125.181
flat angles C4'-P-C4' energy: -111.022
flat angles P-C4'-P energy: -73.387
tors. eta vs tors. theta energy: -130.802
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: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1342.812380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.812380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.812380 (E_RNA)
where:
Base-Base interactions energy: -870.708
where: short stacking energy: -394.724
Base-Backbone interact. energy: -3.024
local terms energy: -469.079781
where:
bonds (distance) C4'-P energy: -94.024
bonds (distance) P-C4' energy: -104.950
flat angles C4'-P-C4' energy: -115.564
flat angles P-C4'-P energy: -62.479
tors. eta vs tors. theta energy: -92.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1186.348939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.348939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.348939 (E_RNA)
where:
Base-Base interactions energy: -716.327
where: short stacking energy: -387.606
Base-Backbone interact. energy: -1.429
local terms energy: -468.592295
where:
bonds (distance) C4'-P energy: -117.555
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -98.582
flat angles P-C4'-P energy: -58.715
tors. eta vs tors. theta energy: -92.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1026.582985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.582985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.582985 (E_RNA)
where:
Base-Base interactions energy: -609.221
where: short stacking energy: -299.900
Base-Backbone interact. energy: -2.669
local terms energy: -414.692535
where:
bonds (distance) C4'-P energy: -100.814
bonds (distance) P-C4' energy: -100.249
flat angles C4'-P-C4' energy: -103.231
flat angles P-C4'-P energy: -65.938
tors. eta vs tors. theta energy: -44.460
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: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -561.858599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.858599 (E_RNA)
where:
Base-Base interactions energy: -214.157
where: short stacking energy: -175.378
Base-Backbone interact. energy: -1.779
local terms energy: -345.922966
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -101.666
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -74.136
tors. eta vs tors. theta energy: 8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -548.157072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.157072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.157072 (E_RNA)
where:
Base-Base interactions energy: -218.064
where: short stacking energy: -160.150
Base-Backbone interact. energy: 2.672
local terms energy: -332.764396
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -127.918
flat angles C4'-P-C4' energy: -75.086
flat angles P-C4'-P energy: -61.876
tors. eta vs tors. theta energy: 25.730
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: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2074.360068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.360068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.360068 (E_RNA)
where:
Base-Base interactions energy: -1442.297
where: short stacking energy: -589.830
Base-Backbone interact. energy: -1.023
local terms energy: -631.040218
where:
bonds (distance) C4'-P energy: -126.592
bonds (distance) P-C4' energy: -123.462
flat angles C4'-P-C4' energy: -137.565
flat angles P-C4'-P energy: -97.404
tors. eta vs tors. theta energy: -146.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2023.601641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.601641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.601641 (E_RNA)
where:
Base-Base interactions energy: -1363.459
where: short stacking energy: -566.706
Base-Backbone interact. energy: -3.646
local terms energy: -656.497021
where:
bonds (distance) C4'-P energy: -126.996
bonds (distance) P-C4' energy: -120.177
flat angles C4'-P-C4' energy: -157.246
flat angles P-C4'-P energy: -83.143
tors. eta vs tors. theta energy: -168.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1873.567088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.567088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.567088 (E_RNA)
where:
Base-Base interactions energy: -1263.999
where: short stacking energy: -550.987
Base-Backbone interact. energy: -0.791
local terms energy: -608.777261
where:
bonds (distance) C4'-P energy: -103.165
bonds (distance) P-C4' energy: -129.149
flat angles C4'-P-C4' energy: -127.934
flat angles P-C4'-P energy: -94.606
tors. eta vs tors. theta energy: -153.923
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: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1781.080619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.080619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.080619 (E_RNA)
where:
Base-Base interactions energy: -1235.258
where: short stacking energy: -525.701
Base-Backbone interact. energy: -2.468
local terms energy: -543.354164
where:
bonds (distance) C4'-P energy: -108.105
bonds (distance) P-C4' energy: -113.439
flat angles C4'-P-C4' energy: -130.560
flat angles P-C4'-P energy: -70.337
tors. eta vs tors. theta energy: -120.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1592.127812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.127812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.127812 (E_RNA)
where:
Base-Base interactions energy: -1043.929
where: short stacking energy: -484.699
Base-Backbone interact. energy: -0.198
local terms energy: -548.000694
where:
bonds (distance) C4'-P energy: -110.353
bonds (distance) P-C4' energy: -117.976
flat angles C4'-P-C4' energy: -121.756
flat angles P-C4'-P energy: -80.736
tors. eta vs tors. theta energy: -117.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1395.376801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.376801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.376801 (E_RNA)
where:
Base-Base interactions energy: -897.687
where: short stacking energy: -408.108
Base-Backbone interact. energy: 0.663
local terms energy: -498.352952
where:
bonds (distance) C4'-P energy: -103.078
bonds (distance) P-C4' energy: -117.509
flat angles C4'-P-C4' energy: -109.091
flat angles P-C4'-P energy: -72.793
tors. eta vs tors. theta energy: -95.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1132.741005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.741005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.741005 (E_RNA)
where:
Base-Base interactions energy: -710.847
where: short stacking energy: -336.773
Base-Backbone interact. energy: 2.507
local terms energy: -424.400572
where:
bonds (distance) C4'-P energy: -104.010
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -104.204
flat angles P-C4'-P energy: -63.492
tors. eta vs tors. theta energy: -44.222
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: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1018.762937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.762937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.762937 (E_RNA)
where:
Base-Base interactions energy: -602.087
where: short stacking energy: -289.549
Base-Backbone interact. energy: -1.601
local terms energy: -415.075379
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -87.722
flat angles C4'-P-C4' energy: -121.325
flat angles P-C4'-P energy: -49.859
tors. eta vs tors. theta energy: -51.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -541.143904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.143904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.143904 (E_RNA)
where:
Base-Base interactions energy: -220.786
where: short stacking energy: -145.873
Base-Backbone interact. energy: -2.669
local terms energy: -317.689119
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -120.051
flat angles C4'-P-C4' energy: -77.797
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: 15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -499.768802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.768802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.768802 (E_RNA)
where:
Base-Base interactions energy: -183.057
where: short stacking energy: -166.965
Base-Backbone interact. energy: 5.139
local terms energy: -321.850918
where:
bonds (distance) C4'-P energy: -104.483
bonds (distance) P-C4' energy: -101.815
flat angles C4'-P-C4' energy: -93.922
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: 21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2096.690595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.690595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.690595 (E_RNA)
where:
Base-Base interactions energy: -1467.880
where: short stacking energy: -621.783
Base-Backbone interact. energy: -1.869
local terms energy: -626.941916
where:
bonds (distance) C4'-P energy: -117.048
bonds (distance) P-C4' energy: -127.544
flat angles C4'-P-C4' energy: -140.567
flat angles P-C4'-P energy: -87.996
tors. eta vs tors. theta energy: -153.786
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2010.501471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.501471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.501471 (E_RNA)
where:
Base-Base interactions energy: -1389.423
where: short stacking energy: -584.664
Base-Backbone interact. energy: -6.077
local terms energy: -615.001430
where:
bonds (distance) C4'-P energy: -130.288
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -135.079
flat angles P-C4'-P energy: -83.228
tors. eta vs tors. theta energy: -159.596
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1870.421642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.421642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.421642 (E_RNA)
where:
Base-Base interactions energy: -1272.767
where: short stacking energy: -543.781
Base-Backbone interact. energy: -3.209
local terms energy: -594.445497
where:
bonds (distance) C4'-P energy: -110.974
bonds (distance) P-C4' energy: -121.237
flat angles C4'-P-C4' energy: -133.951
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -143.457
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1766.274767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.274767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.274767 (E_RNA)
where:
Base-Base interactions energy: -1211.054
where: short stacking energy: -516.634
Base-Backbone interact. energy: -2.579
local terms energy: -552.641425
where:
bonds (distance) C4'-P energy: -116.215
bonds (distance) P-C4' energy: -118.969
flat angles C4'-P-C4' energy: -114.564
flat angles P-C4'-P energy: -73.024
tors. eta vs tors. theta energy: -129.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1647.583439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.583439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.583439 (E_RNA)
where:
Base-Base interactions energy: -1106.355
where: short stacking energy: -500.754
Base-Backbone interact. energy: -2.705
local terms energy: -538.523093
where:
bonds (distance) C4'-P energy: -113.607
bonds (distance) P-C4' energy: -103.801
flat angles C4'-P-C4' energy: -124.068
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -129.293
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1399.669623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.669623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.669623 (E_RNA)
where:
Base-Base interactions energy: -890.759
where: short stacking energy: -384.591
Base-Backbone interact. energy: 0.202
local terms energy: -509.112776
where:
bonds (distance) C4'-P energy: -112.044
bonds (distance) P-C4' energy: -119.951
flat angles C4'-P-C4' energy: -106.934
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -96.310
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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1128.081964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.081964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.081964 (E_RNA)
where:
Base-Base interactions energy: -678.630
where: short stacking energy: -341.250
Base-Backbone interact. energy: 0.706
local terms energy: -450.157881
where:
bonds (distance) C4'-P energy: -113.595
bonds (distance) P-C4' energy: -98.637
flat angles C4'-P-C4' energy: -103.380
flat angles P-C4'-P energy: -56.673
tors. eta vs tors. theta energy: -77.873
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: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1028.655242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.655242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.655242 (E_RNA)
where:
Base-Base interactions energy: -611.641
where: short stacking energy: -316.803
Base-Backbone interact. energy: -1.360
local terms energy: -415.653862
where:
bonds (distance) C4'-P energy: -93.662
bonds (distance) P-C4' energy: -100.049
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -51.621
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: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -557.690899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.690899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.690899 (E_RNA)
where:
Base-Base interactions energy: -216.239
where: short stacking energy: -191.656
Base-Backbone interact. energy: -0.848
local terms energy: -340.603011
where:
bonds (distance) C4'-P energy: -98.040
bonds (distance) P-C4' energy: -104.694
flat angles C4'-P-C4' energy: -92.580
flat angles P-C4'-P energy: -46.994
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: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -565.221869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.221869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.221869 (E_RNA)
where:
Base-Base interactions energy: -217.643
where: short stacking energy: -141.767
Base-Backbone interact. energy: 1.187
local terms energy: -348.765400
where:
bonds (distance) C4'-P energy: -101.238
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -75.019
flat angles P-C4'-P energy: -67.593
tors. eta vs tors. theta energy: 16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2110.957432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.957432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.957432 (E_RNA)
where:
Base-Base interactions energy: -1453.131
where: short stacking energy: -616.225
Base-Backbone interact. energy: -2.130
local terms energy: -655.696776
where:
bonds (distance) C4'-P energy: -131.127
bonds (distance) P-C4' energy: -124.251
flat angles C4'-P-C4' energy: -148.325
flat angles P-C4'-P energy: -90.899
tors. eta vs tors. theta energy: -161.094
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2044.205855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.205855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.205855 (E_RNA)
where:
Base-Base interactions energy: -1395.728
where: short stacking energy: -579.799
Base-Backbone interact. energy: -5.408
local terms energy: -643.069719
where:
bonds (distance) C4'-P energy: -125.280
bonds (distance) P-C4' energy: -127.041
flat angles C4'-P-C4' energy: -143.462
flat angles P-C4'-P energy: -76.255
tors. eta vs tors. theta energy: -171.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1880.124816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.124816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.124816 (E_RNA)
where:
Base-Base interactions energy: -1279.313
where: short stacking energy: -559.658
Base-Backbone interact. energy: -3.034
local terms energy: -597.777673
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -117.781
flat angles C4'-P-C4' energy: -129.332
flat angles P-C4'-P energy: -93.127
tors. eta vs tors. theta energy: -155.832
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1775.773758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.773758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.773758 (E_RNA)
where:
Base-Base interactions energy: -1205.991
where: short stacking energy: -498.858
Base-Backbone interact. energy: -4.739
local terms energy: -565.043794
where:
bonds (distance) C4'-P energy: -117.647
bonds (distance) P-C4' energy: -119.378
flat angles C4'-P-C4' energy: -116.274
flat angles P-C4'-P energy: -79.319
tors. eta vs tors. theta energy: -132.425
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: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1729.503207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.503207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.503207 (E_RNA)
where:
Base-Base interactions energy: -1145.034
where: short stacking energy: -528.882
Base-Backbone interact. energy: -2.124
local terms energy: -582.344685
where:
bonds (distance) C4'-P energy: -101.970
bonds (distance) P-C4' energy: -123.671
flat angles C4'-P-C4' energy: -136.872
flat angles P-C4'-P energy: -76.584
tors. eta vs tors. theta energy: -143.248
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: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1473.291988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.291988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.291988 (E_RNA)
where:
Base-Base interactions energy: -944.190
where: short stacking energy: -452.642
Base-Backbone interact. energy: 1.225
local terms energy: -530.327813
where:
bonds (distance) C4'-P energy: -111.055
bonds (distance) P-C4' energy: -108.103
flat angles C4'-P-C4' energy: -117.011
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: -118.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1110.815166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.815166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.815166 (E_RNA)
where:
Base-Base interactions energy: -670.780
where: short stacking energy: -366.701
Base-Backbone interact. energy: 1.007
local terms energy: -441.042351
where:
bonds (distance) C4'-P energy: -100.383
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -51.278
tors. eta vs tors. theta energy: -77.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1026.369025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.369025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.369025 (E_RNA)
where:
Base-Base interactions energy: -619.514
where: short stacking energy: -302.317
Base-Backbone interact. energy: -2.391
local terms energy: -404.463885
where:
bonds (distance) C4'-P energy: -86.643
bonds (distance) P-C4' energy: -92.960
flat angles C4'-P-C4' energy: -110.495
flat angles P-C4'-P energy: -76.518
tors. eta vs tors. theta energy: -37.849
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: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -663.814059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.814059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.814059 (E_RNA)
where:
Base-Base interactions energy: -287.165
where: short stacking energy: -173.100
Base-Backbone interact. energy: -2.429
local terms energy: -374.220039
where:
bonds (distance) C4'-P energy: -122.984
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -94.144
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -532.974326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.974326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.974326 (E_RNA)
where:
Base-Base interactions energy: -228.481
where: short stacking energy: -172.478
Base-Backbone interact. energy: -1.619
local terms energy: -302.874680
where:
bonds (distance) C4'-P energy: -88.750
bonds (distance) P-C4' energy: -103.289
flat angles C4'-P-C4' energy: -84.315
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: 12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2073.262314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.262314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.262314 (E_RNA)
where:
Base-Base interactions energy: -1441.939
where: short stacking energy: -607.089
Base-Backbone interact. energy: -3.562
local terms energy: -627.760853
where:
bonds (distance) C4'-P energy: -119.337
bonds (distance) P-C4' energy: -127.735
flat angles C4'-P-C4' energy: -121.909
flat angles P-C4'-P energy: -94.253
tors. eta vs tors. theta energy: -164.526
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: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2012.425384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.425384 (E_RNA)
where:
Base-Base interactions energy: -1382.238
where: short stacking energy: -596.383
Base-Backbone interact. energy: 0.847
local terms energy: -631.034199
where:
bonds (distance) C4'-P energy: -112.075
bonds (distance) P-C4' energy: -132.741
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -171.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1923.171040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.171040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.171040 (E_RNA)
where:
Base-Base interactions energy: -1300.199
where: short stacking energy: -568.516
Base-Backbone interact. energy: 2.559
local terms energy: -625.530307
where:
bonds (distance) C4'-P energy: -121.788
bonds (distance) P-C4' energy: -110.664
flat angles C4'-P-C4' energy: -128.483
flat angles P-C4'-P energy: -97.154
tors. eta vs tors. theta energy: -167.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1742.499488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.499488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.499488 (E_RNA)
where:
Base-Base interactions energy: -1162.845
where: short stacking energy: -570.289
Base-Backbone interact. energy: 1.274
local terms energy: -580.928680
where:
bonds (distance) C4'-P energy: -113.911
bonds (distance) P-C4' energy: -110.776
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -70.107
tors. eta vs tors. theta energy: -153.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1732.195687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.195687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.195687 (E_RNA)
where:
Base-Base interactions energy: -1203.285
where: short stacking energy: -504.121
Base-Backbone interact. energy: -3.979
local terms energy: -524.932185
where:
bonds (distance) C4'-P energy: -110.271
bonds (distance) P-C4' energy: -108.207
flat angles C4'-P-C4' energy: -117.577
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -110.202
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: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1474.181639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.181639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.181639 (E_RNA)
where:
Base-Base interactions energy: -979.172
where: short stacking energy: -461.329
Base-Backbone interact. energy: -2.221
local terms energy: -492.789019
where:
bonds (distance) C4'-P energy: -109.572
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -69.578
tors. eta vs tors. theta energy: -98.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1150.717190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.717190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.717190 (E_RNA)
where:
Base-Base interactions energy: -710.357
where: short stacking energy: -353.602
Base-Backbone interact. energy: 0.326
local terms energy: -440.686221
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -115.354
flat angles C4'-P-C4' energy: -110.008
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: -63.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1006.984166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.984166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.984166 (E_RNA)
where:
Base-Base interactions energy: -599.590
where: short stacking energy: -311.198
Base-Backbone interact. energy: -3.459
local terms energy: -403.935292
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -101.511
flat angles C4'-P-C4' energy: -102.139
flat angles P-C4'-P energy: -76.325
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -752.392173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.392173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.392173 (E_RNA)
where:
Base-Base interactions energy: -397.206
where: short stacking energy: -213.507
Base-Backbone interact. energy: 1.013
local terms energy: -356.198592
where:
bonds (distance) C4'-P energy: -107.520
bonds (distance) P-C4' energy: -107.343
flat angles C4'-P-C4' energy: -85.902
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -488.053709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.053709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.053709 (E_RNA)
where:
Base-Base interactions energy: -189.297
where: short stacking energy: -143.014
Base-Backbone interact. energy: -2.053
local terms energy: -296.703022
where:
bonds (distance) C4'-P energy: -93.670
bonds (distance) P-C4' energy: -110.756
flat angles C4'-P-C4' energy: -77.691
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: 12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2081.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.343064 (E_RNA)
where:
Base-Base interactions energy: -1422.903
where: short stacking energy: -616.338
Base-Backbone interact. energy: 1.259
local terms energy: -659.699612
where:
bonds (distance) C4'-P energy: -123.579
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -137.392
flat angles P-C4'-P energy: -93.437
tors. eta vs tors. theta energy: -169.112
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: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1980.020854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.020854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.020854 (E_RNA)
where:
Base-Base interactions energy: -1358.515
where: short stacking energy: -582.804
Base-Backbone interact. energy: -2.526
local terms energy: -618.979480
where:
bonds (distance) C4'-P energy: -118.249
bonds (distance) P-C4' energy: -137.619
flat angles C4'-P-C4' energy: -128.013
flat angles P-C4'-P energy: -79.402
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1894.358440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.358440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.358440 (E_RNA)
where:
Base-Base interactions energy: -1294.744
where: short stacking energy: -551.195
Base-Backbone interact. energy: -0.909
local terms energy: -598.705839
where:
bonds (distance) C4'-P energy: -118.050
bonds (distance) P-C4' energy: -122.076
flat angles C4'-P-C4' energy: -120.857
flat angles P-C4'-P energy: -90.119
tors. eta vs tors. theta energy: -147.604
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: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1773.555610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.555610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.555610 (E_RNA)
where:
Base-Base interactions energy: -1178.412
where: short stacking energy: -532.422
Base-Backbone interact. energy: 0.453
local terms energy: -595.596642
where:
bonds (distance) C4'-P energy: -114.670
bonds (distance) P-C4' energy: -122.279
flat angles C4'-P-C4' energy: -126.258
flat angles P-C4'-P energy: -76.538
tors. eta vs tors. theta energy: -155.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1638.727023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.727023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.727023 (E_RNA)
where:
Base-Base interactions energy: -1118.142
where: short stacking energy: -475.581
Base-Backbone interact. energy: 0.180
local terms energy: -520.765828
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -115.635
flat angles C4'-P-C4' energy: -118.370
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: -122.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1443.850287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.850287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.850287 (E_RNA)
where:
Base-Base interactions energy: -920.994
where: short stacking energy: -432.054
Base-Backbone interact. energy: 2.172
local terms energy: -525.028275
where:
bonds (distance) C4'-P energy: -110.532
bonds (distance) P-C4' energy: -106.160
flat angles C4'-P-C4' energy: -106.492
flat angles P-C4'-P energy: -87.258
tors. eta vs tors. theta energy: -114.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1155.705131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.705131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.705131 (E_RNA)
where:
Base-Base interactions energy: -690.310
where: short stacking energy: -325.344
Base-Backbone interact. energy: 0.888
local terms energy: -466.283695
where:
bonds (distance) C4'-P energy: -101.783
bonds (distance) P-C4' energy: -117.156
flat angles C4'-P-C4' energy: -125.718
flat angles P-C4'-P energy: -56.470
tors. eta vs tors. theta energy: -65.156
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: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -994.517969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.517969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.517969 (E_RNA)
where:
Base-Base interactions energy: -565.316
where: short stacking energy: -271.225
Base-Backbone interact. energy: -0.460
local terms energy: -428.741969
where:
bonds (distance) C4'-P energy: -106.973
bonds (distance) P-C4' energy: -121.160
flat angles C4'-P-C4' energy: -105.314
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -728.929378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.929378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.929378 (E_RNA)
where:
Base-Base interactions energy: -358.200
where: short stacking energy: -210.230
Base-Backbone interact. energy: -1.039
local terms energy: -369.690351
where:
bonds (distance) C4'-P energy: -104.354
bonds (distance) P-C4' energy: -114.932
flat angles C4'-P-C4' energy: -88.475
flat angles P-C4'-P energy: -53.130
tors. eta vs tors. theta energy: -8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -509.826355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.826355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.826355 (E_RNA)
where:
Base-Base interactions energy: -189.049
where: short stacking energy: -113.686
Base-Backbone interact. energy: 6.430
local terms energy: -327.206724
where:
bonds (distance) C4'-P energy: -109.994
bonds (distance) P-C4' energy: -103.279
flat angles C4'-P-C4' energy: -91.190
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: 35.970
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: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2069.731771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.731771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.731771 (E_RNA)
where:
Base-Base interactions energy: -1409.725
where: short stacking energy: -596.576
Base-Backbone interact. energy: 0.169
local terms energy: -660.176484
where:
bonds (distance) C4'-P energy: -120.305
bonds (distance) P-C4' energy: -135.177
flat angles C4'-P-C4' energy: -142.046
flat angles P-C4'-P energy: -97.890
tors. eta vs tors. theta energy: -164.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1988.106684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.106684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.106684 (E_RNA)
where:
Base-Base interactions energy: -1369.970
where: short stacking energy: -548.957
Base-Backbone interact. energy: -7.846
local terms energy: -610.290551
where:
bonds (distance) C4'-P energy: -99.333
bonds (distance) P-C4' energy: -128.810
flat angles C4'-P-C4' energy: -129.104
flat angles P-C4'-P energy: -91.245
tors. eta vs tors. theta energy: -161.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1921.846807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.846807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.846807 (E_RNA)
where:
Base-Base interactions energy: -1310.748
where: short stacking energy: -568.916
Base-Backbone interact. energy: 0.638
local terms energy: -611.737197
where:
bonds (distance) C4'-P energy: -116.475
bonds (distance) P-C4' energy: -117.352
flat angles C4'-P-C4' energy: -132.376
flat angles P-C4'-P energy: -88.353
tors. eta vs tors. theta energy: -157.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1734.827844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.827844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.827844 (E_RNA)
where:
Base-Base interactions energy: -1129.855
where: short stacking energy: -529.321
Base-Backbone interact. energy: -0.456
local terms energy: -604.517198
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -138.024
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -82.158
tors. eta vs tors. theta energy: -141.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1681.179399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.179399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.179399 (E_RNA)
where:
Base-Base interactions energy: -1127.806
where: short stacking energy: -475.567
Base-Backbone interact. energy: -3.472
local terms energy: -549.901325
where:
bonds (distance) C4'-P energy: -108.059
bonds (distance) P-C4' energy: -112.494
flat angles C4'-P-C4' energy: -121.647
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -122.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1433.478966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.478966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.478966 (E_RNA)
where:
Base-Base interactions energy: -924.540
where: short stacking energy: -433.866
Base-Backbone interact. energy: -0.305
local terms energy: -508.633691
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -113.382
flat angles C4'-P-C4' energy: -117.019
flat angles P-C4'-P energy: -68.123
tors. eta vs tors. theta energy: -97.056
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: 141
Temperature: 1.200000
Total energy: -1101.448174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.448174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.448174 (E_RNA)
where:
Base-Base interactions energy: -672.884
where: short stacking energy: -320.509
Base-Backbone interact. energy: 1.935
local terms energy: -430.498698
where:
bonds (distance) C4'-P energy: -108.693
bonds (distance) P-C4' energy: -126.251
flat angles C4'-P-C4' energy: -101.430
flat angles P-C4'-P energy: -61.986
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -952.154746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.154746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.154746 (E_RNA)
where:
Base-Base interactions energy: -553.047
where: short stacking energy: -293.608
Base-Backbone interact. energy: 1.198
local terms energy: -400.305065
where:
bonds (distance) C4'-P energy: -96.157
bonds (distance) P-C4' energy: -104.031
flat angles C4'-P-C4' energy: -100.017
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -684.122025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.122025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.122025 (E_RNA)
where:
Base-Base interactions energy: -338.278
where: short stacking energy: -188.914
Base-Backbone interact. energy: -4.075
local terms energy: -341.768785
where:
bonds (distance) C4'-P energy: -107.311
bonds (distance) P-C4' energy: -109.558
flat angles C4'-P-C4' energy: -95.662
flat angles P-C4'-P energy: -34.328
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: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -522.488604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.488604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.488604 (E_RNA)
where:
Base-Base interactions energy: -189.650
where: short stacking energy: -129.832
Base-Backbone interact. energy: 6.927
local terms energy: -339.765076
where:
bonds (distance) C4'-P energy: -110.460
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -101.373
flat angles P-C4'-P energy: -61.886
tors. eta vs tors. theta energy: 40.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2057.538902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.538902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.538902 (E_RNA)
where:
Base-Base interactions energy: -1428.050
where: short stacking energy: -611.400
Base-Backbone interact. energy: 0.966
local terms energy: -630.455261
where:
bonds (distance) C4'-P energy: -126.005
bonds (distance) P-C4' energy: -116.099
flat angles C4'-P-C4' energy: -138.946
flat angles P-C4'-P energy: -93.050
tors. eta vs tors. theta energy: -156.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1985.459394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.459394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.459394 (E_RNA)
where:
Base-Base interactions energy: -1333.360
where: short stacking energy: -581.548
Base-Backbone interact. energy: -0.711
local terms energy: -651.388834
where:
bonds (distance) C4'-P energy: -118.213
bonds (distance) P-C4' energy: -121.713
flat angles C4'-P-C4' energy: -140.682
flat angles P-C4'-P energy: -101.184
tors. eta vs tors. theta energy: -169.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1924.597040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.597040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.597040 (E_RNA)
where:
Base-Base interactions energy: -1292.219
where: short stacking energy: -566.426
Base-Backbone interact. energy: -3.808
local terms energy: -628.570442
where:
bonds (distance) C4'-P energy: -116.912
bonds (distance) P-C4' energy: -111.515
flat angles C4'-P-C4' energy: -138.019
flat angles P-C4'-P energy: -99.284
tors. eta vs tors. theta energy: -162.840
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1711.227368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.227368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.227368 (E_RNA)
where:
Base-Base interactions energy: -1137.974
where: short stacking energy: -500.725
Base-Backbone interact. energy: -2.239
local terms energy: -571.014135
where:
bonds (distance) C4'-P energy: -116.754
bonds (distance) P-C4' energy: -127.998
flat angles C4'-P-C4' energy: -119.692
flat angles P-C4'-P energy: -86.731
tors. eta vs tors. theta energy: -119.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1650.881981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.881981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.881981 (E_RNA)
where:
Base-Base interactions energy: -1114.160
where: short stacking energy: -474.857
Base-Backbone interact. energy: -3.137
local terms energy: -533.584698
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -120.405
flat angles C4'-P-C4' energy: -119.309
flat angles P-C4'-P energy: -86.584
tors. eta vs tors. theta energy: -109.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1404.948236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.948236 (E_RNA)
where:
Base-Base interactions energy: -909.844
where: short stacking energy: -410.100
Base-Backbone interact. energy: -1.210
local terms energy: -493.894341
where:
bonds (distance) C4'-P energy: -90.933
bonds (distance) P-C4' energy: -116.762
flat angles C4'-P-C4' energy: -119.610
flat angles P-C4'-P energy: -64.361
tors. eta vs tors. theta energy: -102.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1156.085551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.085551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.085551 (E_RNA)
where:
Base-Base interactions energy: -705.699
where: short stacking energy: -351.978
Base-Backbone interact. energy: -2.226
local terms energy: -448.160992
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -96.423
flat angles C4'-P-C4' energy: -100.407
flat angles P-C4'-P energy: -86.741
tors. eta vs tors. theta energy: -65.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -930.061202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.061202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.061202 (E_RNA)
where:
Base-Base interactions energy: -519.970
where: short stacking energy: -268.541
Base-Backbone interact. energy: 3.535
local terms energy: -413.626201
where:
bonds (distance) C4'-P energy: -104.045
bonds (distance) P-C4' energy: -120.354
flat angles C4'-P-C4' energy: -102.826
flat angles P-C4'-P energy: -56.851
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -752.016105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.016105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.016105 (E_RNA)
where:
Base-Base interactions energy: -401.076
where: short stacking energy: -206.426
Base-Backbone interact. energy: 0.531
local terms energy: -351.471042
where:
bonds (distance) C4'-P energy: -100.941
bonds (distance) P-C4' energy: -107.015
flat angles C4'-P-C4' energy: -99.494
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -557.136952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.136952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.136952 (E_RNA)
where:
Base-Base interactions energy: -260.635
where: short stacking energy: -170.969
Base-Backbone interact. energy: -2.266
local terms energy: -294.235621
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -79.920
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: 16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2030.838756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.838756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.838756 (E_RNA)
where:
Base-Base interactions energy: -1363.562
where: short stacking energy: -619.638
Base-Backbone interact. energy: -3.200
local terms energy: -664.077220
where:
bonds (distance) C4'-P energy: -119.954
bonds (distance) P-C4' energy: -137.852
flat angles C4'-P-C4' energy: -141.296
flat angles P-C4'-P energy: -106.441
tors. eta vs tors. theta energy: -158.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2058.850455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.850455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.850455 (E_RNA)
where:
Base-Base interactions energy: -1406.019
where: short stacking energy: -600.446
Base-Backbone interact. energy: -1.327
local terms energy: -651.504379
where:
bonds (distance) C4'-P energy: -117.949
bonds (distance) P-C4' energy: -127.773
flat angles C4'-P-C4' energy: -135.137
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -175.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1933.225321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.225321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.225321 (E_RNA)
where:
Base-Base interactions energy: -1288.983
where: short stacking energy: -556.050
Base-Backbone interact. energy: -4.945
local terms energy: -639.297349
where:
bonds (distance) C4'-P energy: -121.770
bonds (distance) P-C4' energy: -134.085
flat angles C4'-P-C4' energy: -133.100
flat angles P-C4'-P energy: -91.250
tors. eta vs tors. theta energy: -159.092
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: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1727.979550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.979550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.979550 (E_RNA)
where:
Base-Base interactions energy: -1149.269
where: short stacking energy: -522.590
Base-Backbone interact. energy: -2.236
local terms energy: -576.474304
where:
bonds (distance) C4'-P energy: -110.693
bonds (distance) P-C4' energy: -116.249
flat angles C4'-P-C4' energy: -129.769
flat angles P-C4'-P energy: -79.914
tors. eta vs tors. theta energy: -139.850
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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1654.392543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.392543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.392543 (E_RNA)
where:
Base-Base interactions energy: -1140.396
where: short stacking energy: -471.124
Base-Backbone interact. energy: 0.787
local terms energy: -514.783262
where:
bonds (distance) C4'-P energy: -111.667
bonds (distance) P-C4' energy: -112.561
flat angles C4'-P-C4' energy: -115.823
flat angles P-C4'-P energy: -69.909
tors. eta vs tors. theta energy: -104.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1387.456567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.456567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.456567 (E_RNA)
where:
Base-Base interactions energy: -873.667
where: short stacking energy: -364.333
Base-Backbone interact. energy: -1.867
local terms energy: -511.922560
where:
bonds (distance) C4'-P energy: -118.019
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -87.082
tors. eta vs tors. theta energy: -85.477
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: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1074.064868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.064868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.064868 (E_RNA)
where:
Base-Base interactions energy: -663.006
where: short stacking energy: -338.364
Base-Backbone interact. energy: -1.607
local terms energy: -409.451926
where:
bonds (distance) C4'-P energy: -91.279
bonds (distance) P-C4' energy: -105.437
flat angles C4'-P-C4' energy: -90.362
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -53.942
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: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1007.906990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.906990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.906990 (E_RNA)
where:
Base-Base interactions energy: -602.999
where: short stacking energy: -294.415
Base-Backbone interact. energy: 3.315
local terms energy: -408.223364
where:
bonds (distance) C4'-P energy: -88.624
bonds (distance) P-C4' energy: -112.480
flat angles C4'-P-C4' energy: -97.167
flat angles P-C4'-P energy: -59.985
tors. eta vs tors. theta energy: -49.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -709.706945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.706945 (E_RNA)
where:
Base-Base interactions energy: -319.293
where: short stacking energy: -214.713
Base-Backbone interact. energy: -1.728
local terms energy: -388.686112
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -113.263
flat angles C4'-P-C4' energy: -90.759
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -579.942324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.942324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.942324 (E_RNA)
where:
Base-Base interactions energy: -240.414
where: short stacking energy: -166.151
Base-Backbone interact. energy: -0.220
local terms energy: -339.307700
where:
bonds (distance) C4'-P energy: -100.177
bonds (distance) P-C4' energy: -116.447
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -60.039
tors. eta vs tors. theta energy: 20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2083.636708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.636708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.636708 (E_RNA)
where:
Base-Base interactions energy: -1421.854
where: short stacking energy: -630.354
Base-Backbone interact. energy: 3.138
local terms energy: -664.920632
where:
bonds (distance) C4'-P energy: -122.777
bonds (distance) P-C4' energy: -135.701
flat angles C4'-P-C4' energy: -139.279
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -184.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1999.260328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.260328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.260328 (E_RNA)
where:
Base-Base interactions energy: -1378.545
where: short stacking energy: -592.452
Base-Backbone interact. energy: -4.590
local terms energy: -616.125511
where:
bonds (distance) C4'-P energy: -119.349
bonds (distance) P-C4' energy: -107.287
flat angles C4'-P-C4' energy: -132.360
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -166.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1919.462864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.462864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.462864 (E_RNA)
where:
Base-Base interactions energy: -1285.523
where: short stacking energy: -583.894
Base-Backbone interact. energy: -4.929
local terms energy: -629.010718
where:
bonds (distance) C4'-P energy: -121.763
bonds (distance) P-C4' energy: -132.103
flat angles C4'-P-C4' energy: -144.420
flat angles P-C4'-P energy: -68.502
tors. eta vs tors. theta energy: -162.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1719.569732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.569732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.569732 (E_RNA)
where:
Base-Base interactions energy: -1161.369
where: short stacking energy: -521.201
Base-Backbone interact. energy: -2.333
local terms energy: -555.868309
where:
bonds (distance) C4'-P energy: -95.379
bonds (distance) P-C4' energy: -117.788
flat angles C4'-P-C4' energy: -113.238
flat angles P-C4'-P energy: -79.803
tors. eta vs tors. theta energy: -149.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1704.539653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.539653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.539653 (E_RNA)
where:
Base-Base interactions energy: -1162.935
where: short stacking energy: -497.839
Base-Backbone interact. energy: -1.851
local terms energy: -539.753685
where:
bonds (distance) C4'-P energy: -115.758
bonds (distance) P-C4' energy: -107.366
flat angles C4'-P-C4' energy: -115.160
flat angles P-C4'-P energy: -74.030
tors. eta vs tors. theta energy: -127.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1350.698000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.698000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.698000 (E_RNA)
where:
Base-Base interactions energy: -842.010
where: short stacking energy: -393.080
Base-Backbone interact. energy: 3.281
local terms energy: -511.969841
where:
bonds (distance) C4'-P energy: -119.519
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -100.023
flat angles P-C4'-P energy: -68.209
tors. eta vs tors. theta energy: -96.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1066.729121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.729121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.729121 (E_RNA)
where:
Base-Base interactions energy: -612.933
where: short stacking energy: -288.103
Base-Backbone interact. energy: -1.631
local terms energy: -452.165683
where:
bonds (distance) C4'-P energy: -112.882
bonds (distance) P-C4' energy: -111.998
flat angles C4'-P-C4' energy: -119.582
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -50.004
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: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1003.121763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.121763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.121763 (E_RNA)
where:
Base-Base interactions energy: -575.298
where: short stacking energy: -290.338
Base-Backbone interact. energy: -3.194
local terms energy: -424.629736
where:
bonds (distance) C4'-P energy: -104.613
bonds (distance) P-C4' energy: -108.034
flat angles C4'-P-C4' energy: -101.835
flat angles P-C4'-P energy: -59.837
tors. eta vs tors. theta energy: -50.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -665.395276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.395276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.395276 (E_RNA)
where:
Base-Base interactions energy: -330.666
where: short stacking energy: -199.132
Base-Backbone interact. energy: -0.344
local terms energy: -334.385715
where:
bonds (distance) C4'-P energy: -97.677
bonds (distance) P-C4' energy: -102.392
flat angles C4'-P-C4' energy: -85.638
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -574.736804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.736804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.736804 (E_RNA)
where:
Base-Base interactions energy: -222.032
where: short stacking energy: -151.747
Base-Backbone interact. energy: -3.628
local terms energy: -349.077419
where:
bonds (distance) C4'-P energy: -96.165
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -90.591
flat angles P-C4'-P energy: -69.844
tors. eta vs tors. theta energy: 10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2093.589635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.589635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.589635 (E_RNA)
where:
Base-Base interactions energy: -1409.561
where: short stacking energy: -616.926
Base-Backbone interact. energy: -1.395
local terms energy: -682.633636
where:
bonds (distance) C4'-P energy: -125.152
bonds (distance) P-C4' energy: -118.869
flat angles C4'-P-C4' energy: -151.882
flat angles P-C4'-P energy: -104.942
tors. eta vs tors. theta energy: -181.788
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2013.173404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.173404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.173404 (E_RNA)
where:
Base-Base interactions energy: -1388.749
where: short stacking energy: -571.383
Base-Backbone interact. energy: -5.478
local terms energy: -618.946848
where:
bonds (distance) C4'-P energy: -125.728
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -128.712
flat angles P-C4'-P energy: -95.013
tors. eta vs tors. theta energy: -154.484
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1903.858360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.858360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.858360 (E_RNA)
where:
Base-Base interactions energy: -1291.292
where: short stacking energy: -546.931
Base-Backbone interact. energy: -0.306
local terms energy: -612.260625
where:
bonds (distance) C4'-P energy: -127.891
bonds (distance) P-C4' energy: -113.403
flat angles C4'-P-C4' energy: -135.168
flat angles P-C4'-P energy: -90.516
tors. eta vs tors. theta energy: -145.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1807.496844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.496844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.496844 (E_RNA)
where:
Base-Base interactions energy: -1198.977
where: short stacking energy: -543.503
Base-Backbone interact. energy: 0.734
local terms energy: -609.254307
where:
bonds (distance) C4'-P energy: -111.959
bonds (distance) P-C4' energy: -124.525
flat angles C4'-P-C4' energy: -129.148
flat angles P-C4'-P energy: -83.650
tors. eta vs tors. theta energy: -159.972
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: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1683.810868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.810868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.810868 (E_RNA)
where:
Base-Base interactions energy: -1156.460
where: short stacking energy: -525.519
Base-Backbone interact. energy: -4.387
local terms energy: -522.964729
where:
bonds (distance) C4'-P energy: -94.866
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -103.720
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -119.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1356.997485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.997485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.997485 (E_RNA)
where:
Base-Base interactions energy: -872.182
where: short stacking energy: -420.433
Base-Backbone interact. energy: -0.927
local terms energy: -483.888366
where:
bonds (distance) C4'-P energy: -103.648
bonds (distance) P-C4' energy: -99.784
flat angles C4'-P-C4' energy: -113.823
flat angles P-C4'-P energy: -82.938
tors. eta vs tors. theta energy: -83.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1143.090490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.090490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.090490 (E_RNA)
where:
Base-Base interactions energy: -665.527
where: short stacking energy: -328.452
Base-Backbone interact. energy: -2.594
local terms energy: -474.969618
where:
bonds (distance) C4'-P energy: -109.630
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -71.872
tors. eta vs tors. theta energy: -74.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -966.975697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.975697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.975697 (E_RNA)
where:
Base-Base interactions energy: -550.496
where: short stacking energy: -253.489
Base-Backbone interact. energy: 13.186
local terms energy: -429.665950
where:
bonds (distance) C4'-P energy: -111.994
bonds (distance) P-C4' energy: -114.601
flat angles C4'-P-C4' energy: -101.466
flat angles P-C4'-P energy: -60.827
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -619.459494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.459494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.459494 (E_RNA)
where:
Base-Base interactions energy: -260.735
where: short stacking energy: -167.501
Base-Backbone interact. energy: 0.339
local terms energy: -359.063038
where:
bonds (distance) C4'-P energy: -97.868
bonds (distance) P-C4' energy: -109.549
flat angles C4'-P-C4' energy: -115.469
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -558.535914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.535914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.535914 (E_RNA)
where:
Base-Base interactions energy: -227.657
where: short stacking energy: -162.733
Base-Backbone interact. energy: 6.396
local terms energy: -337.274712
where:
bonds (distance) C4'-P energy: -105.176
bonds (distance) P-C4' energy: -106.657
flat angles C4'-P-C4' energy: -90.204
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: 10.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2098.931406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.931406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.931406 (E_RNA)
where:
Base-Base interactions energy: -1440.430
where: short stacking energy: -603.475
Base-Backbone interact. energy: -0.513
local terms energy: -657.988231
where:
bonds (distance) C4'-P energy: -119.673
bonds (distance) P-C4' energy: -118.888
flat angles C4'-P-C4' energy: -142.471
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -184.271
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: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2007.746960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.746960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.746960 (E_RNA)
where:
Base-Base interactions energy: -1366.199
where: short stacking energy: -593.856
Base-Backbone interact. energy: 0.059
local terms energy: -641.606112
where:
bonds (distance) C4'-P energy: -113.784
bonds (distance) P-C4' energy: -134.255
flat angles C4'-P-C4' energy: -131.502
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -163.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1942.805854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.805854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.805854 (E_RNA)
where:
Base-Base interactions energy: -1303.749
where: short stacking energy: -579.968
Base-Backbone interact. energy: -1.578
local terms energy: -637.478399
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -120.350
flat angles C4'-P-C4' energy: -141.902
flat angles P-C4'-P energy: -90.752
tors. eta vs tors. theta energy: -166.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1760.335142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.335142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.335142 (E_RNA)
where:
Base-Base interactions energy: -1174.036
where: short stacking energy: -529.817
Base-Backbone interact. energy: -1.576
local terms energy: -584.723183
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -106.931
flat angles C4'-P-C4' energy: -141.933
flat angles P-C4'-P energy: -87.571
tors. eta vs tors. theta energy: -137.147
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1691.873153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.873153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.873153 (E_RNA)
where:
Base-Base interactions energy: -1148.263
where: short stacking energy: -483.184
Base-Backbone interact. energy: 0.345
local terms energy: -543.955281
where:
bonds (distance) C4'-P energy: -103.827
bonds (distance) P-C4' energy: -113.996
flat angles C4'-P-C4' energy: -132.320
flat angles P-C4'-P energy: -65.417
tors. eta vs tors. theta energy: -128.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1452.934155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.934155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.934155 (E_RNA)
where:
Base-Base interactions energy: -933.682
where: short stacking energy: -421.777
Base-Backbone interact. energy: -4.082
local terms energy: -515.170347
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -125.659
flat angles C4'-P-C4' energy: -129.838
flat angles P-C4'-P energy: -57.149
tors. eta vs tors. theta energy: -94.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1104.840767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.840767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.840767 (E_RNA)
where:
Base-Base interactions energy: -645.517
where: short stacking energy: -318.938
Base-Backbone interact. energy: -2.158
local terms energy: -457.166367
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -113.035
flat angles C4'-P-C4' energy: -114.016
flat angles P-C4'-P energy: -78.105
tors. eta vs tors. theta energy: -61.060
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: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -978.667708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.667708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.667708 (E_RNA)
where:
Base-Base interactions energy: -573.986
where: short stacking energy: -279.491
Base-Backbone interact. energy: 3.223
local terms energy: -407.904822
where:
bonds (distance) C4'-P energy: -97.855
bonds (distance) P-C4' energy: -89.918
flat angles C4'-P-C4' energy: -105.338
flat angles P-C4'-P energy: -74.461
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -636.506189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.506189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.506189 (E_RNA)
where:
Base-Base interactions energy: -321.447
where: short stacking energy: -185.710
Base-Backbone interact. energy: 2.172
local terms energy: -317.230565
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -109.600
flat angles C4'-P-C4' energy: -79.970
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: 11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -622.050530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.050530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.050530 (E_RNA)
where:
Base-Base interactions energy: -296.163
where: short stacking energy: -175.380
Base-Backbone interact. energy: 5.044
local terms energy: -330.931575
where:
bonds (distance) C4'-P energy: -104.418
bonds (distance) P-C4' energy: -91.946
flat angles C4'-P-C4' energy: -84.093
flat angles P-C4'-P energy: -62.036
tors. eta vs tors. theta energy: 11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2112.819826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.819826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.819826 (E_RNA)
where:
Base-Base interactions energy: -1428.238
where: short stacking energy: -619.216
Base-Backbone interact. energy: -2.797
local terms energy: -681.784525
where:
bonds (distance) C4'-P energy: -123.560
bonds (distance) P-C4' energy: -134.420
flat angles C4'-P-C4' energy: -147.238
flat angles P-C4'-P energy: -98.305
tors. eta vs tors. theta energy: -178.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2031.519537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.519537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.519537 (E_RNA)
where:
Base-Base interactions energy: -1423.132
where: short stacking energy: -592.093
Base-Backbone interact. energy: -3.049
local terms energy: -605.338990
where:
bonds (distance) C4'-P energy: -119.863
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -129.026
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -164.575
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: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1899.575435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.575435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.575435 (E_RNA)
where:
Base-Base interactions energy: -1283.779
where: short stacking energy: -573.573
Base-Backbone interact. energy: -1.965
local terms energy: -613.831459
where:
bonds (distance) C4'-P energy: -114.324
bonds (distance) P-C4' energy: -121.859
flat angles C4'-P-C4' energy: -137.018
flat angles P-C4'-P energy: -89.127
tors. eta vs tors. theta energy: -151.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1784.047009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.047009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.047009 (E_RNA)
where:
Base-Base interactions energy: -1204.300
where: short stacking energy: -526.470
Base-Backbone interact. energy: 1.334
local terms energy: -581.081753
where:
bonds (distance) C4'-P energy: -109.415
bonds (distance) P-C4' energy: -107.264
flat angles C4'-P-C4' energy: -127.205
flat angles P-C4'-P energy: -91.660
tors. eta vs tors. theta energy: -145.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1660.853215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.853215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.853215 (E_RNA)
where:
Base-Base interactions energy: -1121.301
where: short stacking energy: -479.770
Base-Backbone interact. energy: -0.874
local terms energy: -538.678590
where:
bonds (distance) C4'-P energy: -109.444
bonds (distance) P-C4' energy: -118.789
flat angles C4'-P-C4' energy: -122.830
flat angles P-C4'-P energy: -72.389
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: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1475.191921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.191921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.191921 (E_RNA)
where:
Base-Base interactions energy: -949.528
where: short stacking energy: -438.479
Base-Backbone interact. energy: 0.384
local terms energy: -526.048068
where:
bonds (distance) C4'-P energy: -97.225
bonds (distance) P-C4' energy: -117.990
flat angles C4'-P-C4' energy: -120.905
flat angles P-C4'-P energy: -79.995
tors. eta vs tors. theta energy: -109.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1186.388379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.388379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.388379 (E_RNA)
where:
Base-Base interactions energy: -708.112
where: short stacking energy: -367.201
Base-Backbone interact. energy: -2.852
local terms energy: -475.424993
where:
bonds (distance) C4'-P energy: -109.077
bonds (distance) P-C4' energy: -105.023
flat angles C4'-P-C4' energy: -113.475
flat angles P-C4'-P energy: -72.855
tors. eta vs tors. theta energy: -74.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1025.642138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.642138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.642138 (E_RNA)
where:
Base-Base interactions energy: -653.562
where: short stacking energy: -324.514
Base-Backbone interact. energy: 2.444
local terms energy: -374.523483
where:
bonds (distance) C4'-P energy: -87.163
bonds (distance) P-C4' energy: -99.630
flat angles C4'-P-C4' energy: -93.456
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -46.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -618.502912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.502912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.502912 (E_RNA)
where:
Base-Base interactions energy: -275.919
where: short stacking energy: -170.563
Base-Backbone interact. energy: 1.752
local terms energy: -344.336049
where:
bonds (distance) C4'-P energy: -105.517
bonds (distance) P-C4' energy: -111.146
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: 8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -650.320589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.320589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.320589 (E_RNA)
where:
Base-Base interactions energy: -322.218
where: short stacking energy: -181.863
Base-Backbone interact. energy: -3.040
local terms energy: -325.062690
where:
bonds (distance) C4'-P energy: -90.920
bonds (distance) P-C4' energy: -102.326
flat angles C4'-P-C4' energy: -88.167
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: 8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2132.401663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.401663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.401663 (E_RNA)
where:
Base-Base interactions energy: -1483.062
where: short stacking energy: -620.880
Base-Backbone interact. energy: -2.146
local terms energy: -647.193515
where:
bonds (distance) C4'-P energy: -122.007
bonds (distance) P-C4' energy: -113.594
flat angles C4'-P-C4' energy: -138.943
flat angles P-C4'-P energy: -88.722
tors. eta vs tors. theta energy: -183.927
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: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1987.605465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.605465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.605465 (E_RNA)
where:
Base-Base interactions energy: -1349.370
where: short stacking energy: -578.275
Base-Backbone interact. energy: -3.668
local terms energy: -634.566679
where:
bonds (distance) C4'-P energy: -127.422
bonds (distance) P-C4' energy: -111.251
flat angles C4'-P-C4' energy: -141.560
flat angles P-C4'-P energy: -96.825
tors. eta vs tors. theta energy: -157.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1956.727573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.727573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.727573 (E_RNA)
where:
Base-Base interactions energy: -1341.236
where: short stacking energy: -590.609
Base-Backbone interact. energy: -1.798
local terms energy: -613.694252
where:
bonds (distance) C4'-P energy: -116.546
bonds (distance) P-C4' energy: -131.343
flat angles C4'-P-C4' energy: -122.434
flat angles P-C4'-P energy: -83.774
tors. eta vs tors. theta energy: -159.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1804.288350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.288350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.288350 (E_RNA)
where:
Base-Base interactions energy: -1210.083
where: short stacking energy: -568.281
Base-Backbone interact. energy: -0.271
local terms energy: -593.934076
where:
bonds (distance) C4'-P energy: -112.376
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -139.493
flat angles P-C4'-P energy: -75.242
tors. eta vs tors. theta energy: -154.989
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: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1683.162015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.162015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.162015 (E_RNA)
where:
Base-Base interactions energy: -1132.700
where: short stacking energy: -494.813
Base-Backbone interact. energy: 2.178
local terms energy: -552.640857
where:
bonds (distance) C4'-P energy: -111.467
bonds (distance) P-C4' energy: -101.428
flat angles C4'-P-C4' energy: -125.699
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -134.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1531.643548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.643548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.643548 (E_RNA)
where:
Base-Base interactions energy: -994.650
where: short stacking energy: -463.217
Base-Backbone interact. energy: -0.177
local terms energy: -536.817025
where:
bonds (distance) C4'-P energy: -105.197
bonds (distance) P-C4' energy: -109.137
flat angles C4'-P-C4' energy: -112.514
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -136.756
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: 148
Temperature: 1.200000
Total energy: -1184.715709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.715709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.715709 (E_RNA)
where:
Base-Base interactions energy: -701.816
where: short stacking energy: -359.193
Base-Backbone interact. energy: -1.476
local terms energy: -481.423695
where:
bonds (distance) C4'-P energy: -99.135
bonds (distance) P-C4' energy: -108.587
flat angles C4'-P-C4' energy: -123.134
flat angles P-C4'-P energy: -67.156
tors. eta vs tors. theta energy: -83.411
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: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1009.710014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.710014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.710014 (E_RNA)
where:
Base-Base interactions energy: -596.162
where: short stacking energy: -326.696
Base-Backbone interact. energy: -1.498
local terms energy: -412.049594
where:
bonds (distance) C4'-P energy: -82.129
bonds (distance) P-C4' energy: -106.637
flat angles C4'-P-C4' energy: -108.953
flat angles P-C4'-P energy: -62.728
tors. eta vs tors. theta energy: -51.603
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: 148
Temperature: 1.300000
Total energy: -607.035181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.035181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.035181 (E_RNA)
where:
Base-Base interactions energy: -284.218
where: short stacking energy: -167.654
Base-Backbone interact. energy: -2.234
local terms energy: -320.583406
where:
bonds (distance) C4'-P energy: -90.756
bonds (distance) P-C4' energy: -115.787
flat angles C4'-P-C4' energy: -86.912
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: 9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -640.600699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.600699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.600699 (E_RNA)
where:
Base-Base interactions energy: -287.214
where: short stacking energy: -203.265
Base-Backbone interact. energy: 0.928
local terms energy: -354.314833
where:
bonds (distance) C4'-P energy: -105.807
bonds (distance) P-C4' energy: -86.192
flat angles C4'-P-C4' energy: -95.823
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: 1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2119.540644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.540644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.540644 (E_RNA)
where:
Base-Base interactions energy: -1457.029
where: short stacking energy: -604.856
Base-Backbone interact. energy: -1.717
local terms energy: -660.795342
where:
bonds (distance) C4'-P energy: -126.490
bonds (distance) P-C4' energy: -129.563
flat angles C4'-P-C4' energy: -136.881
flat angles P-C4'-P energy: -99.526
tors. eta vs tors. theta energy: -168.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2049.689997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.689997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.689997 (E_RNA)
where:
Base-Base interactions energy: -1407.807
where: short stacking energy: -611.023
Base-Backbone interact. energy: 1.027
local terms energy: -642.910571
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -117.162
flat angles C4'-P-C4' energy: -141.658
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -165.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1900.374126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.374126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.374126 (E_RNA)
where:
Base-Base interactions energy: -1308.337
where: short stacking energy: -524.469
Base-Backbone interact. energy: -1.065
local terms energy: -590.972436
where:
bonds (distance) C4'-P energy: -112.094
bonds (distance) P-C4' energy: -114.705
flat angles C4'-P-C4' energy: -130.633
flat angles P-C4'-P energy: -88.702
tors. eta vs tors. theta energy: -144.839
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: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1760.578352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.578352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.578352 (E_RNA)
where:
Base-Base interactions energy: -1191.473
where: short stacking energy: -527.215
Base-Backbone interact. energy: 0.632
local terms energy: -569.737385
where:
bonds (distance) C4'-P energy: -104.747
bonds (distance) P-C4' energy: -111.188
flat angles C4'-P-C4' energy: -121.174
flat angles P-C4'-P energy: -91.269
tors. eta vs tors. theta energy: -141.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1681.228894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.228894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.228894 (E_RNA)
where:
Base-Base interactions energy: -1146.041
where: short stacking energy: -490.731
Base-Backbone interact. energy: 3.863
local terms energy: -539.051082
where:
bonds (distance) C4'-P energy: -114.710
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -125.669
flat angles P-C4'-P energy: -80.282
tors. eta vs tors. theta energy: -119.799
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: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1615.762423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.762423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.762423 (E_RNA)
where:
Base-Base interactions energy: -1067.185
where: short stacking energy: -502.460
Base-Backbone interact. energy: -0.632
local terms energy: -547.946074
where:
bonds (distance) C4'-P energy: -115.081
bonds (distance) P-C4' energy: -103.049
flat angles C4'-P-C4' energy: -122.212
flat angles P-C4'-P energy: -74.822
tors. eta vs tors. theta energy: -132.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1182.313734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.313734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.313734 (E_RNA)
where:
Base-Base interactions energy: -692.429
where: short stacking energy: -335.691
Base-Backbone interact. energy: -2.857
local terms energy: -487.028172
where:
bonds (distance) C4'-P energy: -117.732
bonds (distance) P-C4' energy: -102.243
flat angles C4'-P-C4' energy: -111.651
flat angles P-C4'-P energy: -82.241
tors. eta vs tors. theta energy: -73.161
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: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1021.260986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.260986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.260986 (E_RNA)
where:
Base-Base interactions energy: -595.698
where: short stacking energy: -315.840
Base-Backbone interact. energy: 3.917
local terms energy: -429.480534
where:
bonds (distance) C4'-P energy: -109.181
bonds (distance) P-C4' energy: -104.573
flat angles C4'-P-C4' energy: -106.974
flat angles P-C4'-P energy: -50.643
tors. eta vs tors. theta energy: -58.109
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: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -674.725200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.725200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.725200 (E_RNA)
where:
Base-Base interactions energy: -299.456
where: short stacking energy: -206.460
Base-Backbone interact. energy: -3.055
local terms energy: -372.214102
where:
bonds (distance) C4'-P energy: -100.259
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -107.450
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -524.761060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.761060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.761060 (E_RNA)
where:
Base-Base interactions energy: -206.153
where: short stacking energy: -142.803
Base-Backbone interact. energy: -0.942
local terms energy: -317.665858
where:
bonds (distance) C4'-P energy: -99.619
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: 25.465
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: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2130.287611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.287611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.287611 (E_RNA)
where:
Base-Base interactions energy: -1483.912
where: short stacking energy: -603.718
Base-Backbone interact. energy: 0.274
local terms energy: -646.650142
where:
bonds (distance) C4'-P energy: -111.370
bonds (distance) P-C4' energy: -132.215
flat angles C4'-P-C4' energy: -128.072
flat angles P-C4'-P energy: -97.826
tors. eta vs tors. theta energy: -177.168
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: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2046.915984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.915984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.915984 (E_RNA)
where:
Base-Base interactions energy: -1406.967
where: short stacking energy: -582.771
Base-Backbone interact. energy: -0.784
local terms energy: -639.164731
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -122.130
flat angles C4'-P-C4' energy: -139.660
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -155.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1880.015184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.015184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.015184 (E_RNA)
where:
Base-Base interactions energy: -1290.922
where: short stacking energy: -540.959
Base-Backbone interact. energy: -4.010
local terms energy: -585.083054
where:
bonds (distance) C4'-P energy: -113.696
bonds (distance) P-C4' energy: -94.057
flat angles C4'-P-C4' energy: -135.848
flat angles P-C4'-P energy: -91.834
tors. eta vs tors. theta energy: -149.647
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: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1716.282515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.282515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.282515 (E_RNA)
where:
Base-Base interactions energy: -1153.151
where: short stacking energy: -496.906
Base-Backbone interact. energy: -3.551
local terms energy: -559.580444
where:
bonds (distance) C4'-P energy: -113.669
bonds (distance) P-C4' energy: -116.104
flat angles C4'-P-C4' energy: -133.913
flat angles P-C4'-P energy: -72.505
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: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1667.477965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.477965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.477965 (E_RNA)
where:
Base-Base interactions energy: -1130.351
where: short stacking energy: -486.514
Base-Backbone interact. energy: -0.104
local terms energy: -537.022594
where:
bonds (distance) C4'-P energy: -115.672
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -125.253
flat angles P-C4'-P energy: -62.508
tors. eta vs tors. theta energy: -128.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1559.792791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.792791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.792791 (E_RNA)
where:
Base-Base interactions energy: -1058.500
where: short stacking energy: -483.629
Base-Backbone interact. energy: -0.944
local terms energy: -500.349366
where:
bonds (distance) C4'-P energy: -101.494
bonds (distance) P-C4' energy: -98.132
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -120.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1187.677029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.677029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.677029 (E_RNA)
where:
Base-Base interactions energy: -727.653
where: short stacking energy: -318.230
Base-Backbone interact. energy: -4.092
local terms energy: -455.932551
where:
bonds (distance) C4'-P energy: -108.373
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -117.395
flat angles P-C4'-P energy: -53.981
tors. eta vs tors. theta energy: -62.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -997.145643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.145643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.145643 (E_RNA)
where:
Base-Base interactions energy: -577.992
where: short stacking energy: -278.453
Base-Backbone interact. energy: 1.537
local terms energy: -420.691253
where:
bonds (distance) C4'-P energy: -117.051
bonds (distance) P-C4' energy: -87.337
flat angles C4'-P-C4' energy: -120.499
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -35.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -643.544554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.544554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.544554 (E_RNA)
where:
Base-Base interactions energy: -304.506
where: short stacking energy: -212.668
Base-Backbone interact. energy: -0.413
local terms energy: -338.625742
where:
bonds (distance) C4'-P energy: -99.138
bonds (distance) P-C4' energy: -86.411
flat angles C4'-P-C4' energy: -83.957
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -1.268
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: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -501.136329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.136329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.136329 (E_RNA)
where:
Base-Base interactions energy: -197.590
where: short stacking energy: -156.324
Base-Backbone interact. energy: 6.276
local terms energy: -309.822770
where:
bonds (distance) C4'-P energy: -111.281
bonds (distance) P-C4' energy: -96.523
flat angles C4'-P-C4' energy: -82.424
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: 21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2115.524797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.524797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.524797 (E_RNA)
where:
Base-Base interactions energy: -1443.871
where: short stacking energy: -592.397
Base-Backbone interact. energy: -2.834
local terms energy: -668.819985
where:
bonds (distance) C4'-P energy: -132.677
bonds (distance) P-C4' energy: -110.232
flat angles C4'-P-C4' energy: -136.835
flat angles P-C4'-P energy: -109.336
tors. eta vs tors. theta energy: -179.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2056.669495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.669495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.669495 (E_RNA)
where:
Base-Base interactions energy: -1436.510
where: short stacking energy: -607.552
Base-Backbone interact. energy: -4.574
local terms energy: -615.585017
where:
bonds (distance) C4'-P energy: -111.335
bonds (distance) P-C4' energy: -110.576
flat angles C4'-P-C4' energy: -126.834
flat angles P-C4'-P energy: -92.598
tors. eta vs tors. theta energy: -174.242
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: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1873.413587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.413587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.413587 (E_RNA)
where:
Base-Base interactions energy: -1272.810
where: short stacking energy: -544.816
Base-Backbone interact. energy: -2.040
local terms energy: -598.563884
where:
bonds (distance) C4'-P energy: -111.150
bonds (distance) P-C4' energy: -126.953
flat angles C4'-P-C4' energy: -131.231
flat angles P-C4'-P energy: -91.586
tors. eta vs tors. theta energy: -137.644
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: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1765.450673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.450673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.450673 (E_RNA)
where:
Base-Base interactions energy: -1192.862
where: short stacking energy: -535.841
Base-Backbone interact. energy: 2.529
local terms energy: -575.117982
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -104.731
flat angles C4'-P-C4' energy: -134.511
flat angles P-C4'-P energy: -74.414
tors. eta vs tors. theta energy: -142.460
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: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1667.060295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.060295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.060295 (E_RNA)
where:
Base-Base interactions energy: -1153.313
where: short stacking energy: -489.274
Base-Backbone interact. energy: -3.643
local terms energy: -510.104047
where:
bonds (distance) C4'-P energy: -97.207
bonds (distance) P-C4' energy: -116.692
flat angles C4'-P-C4' energy: -109.811
flat angles P-C4'-P energy: -65.564
tors. eta vs tors. theta energy: -120.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1553.371853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.371853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.371853 (E_RNA)
where:
Base-Base interactions energy: -1033.798
where: short stacking energy: -455.473
Base-Backbone interact. energy: -2.755
local terms energy: -516.818966
where:
bonds (distance) C4'-P energy: -99.539
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -124.043
flat angles P-C4'-P energy: -65.586
tors. eta vs tors. theta energy: -109.333
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: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1240.970417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.970417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.970417 (E_RNA)
where:
Base-Base interactions energy: -752.585
where: short stacking energy: -370.397
Base-Backbone interact. energy: -1.496
local terms energy: -486.889707
where:
bonds (distance) C4'-P energy: -106.663
bonds (distance) P-C4' energy: -125.166
flat angles C4'-P-C4' energy: -110.124
flat angles P-C4'-P energy: -66.038
tors. eta vs tors. theta energy: -78.899
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: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1039.360891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.360891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.360891 (E_RNA)
where:
Base-Base interactions energy: -608.142
where: short stacking energy: -297.767
Base-Backbone interact. energy: -2.528
local terms energy: -428.691414
where:
bonds (distance) C4'-P energy: -115.600
bonds (distance) P-C4' energy: -108.154
flat angles C4'-P-C4' energy: -116.116
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -34.698
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: 151
Temperature: 1.300000
Total energy: -618.315741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.315741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.315741 (E_RNA)
where:
Base-Base interactions energy: -273.180
where: short stacking energy: -162.343
Base-Backbone interact. energy: -0.712
local terms energy: -344.423968
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -117.723
flat angles C4'-P-C4' energy: -94.890
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: 7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -498.487455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.487455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.487455 (E_RNA)
where:
Base-Base interactions energy: -186.886
where: short stacking energy: -153.422
Base-Backbone interact. energy: -1.628
local terms energy: -309.974170
where:
bonds (distance) C4'-P energy: -95.970
bonds (distance) P-C4' energy: -100.316
flat angles C4'-P-C4' energy: -75.866
flat angles P-C4'-P energy: -50.203
tors. eta vs tors. theta energy: 12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2121.259187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.259187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.259187 (E_RNA)
where:
Base-Base interactions energy: -1450.487
where: short stacking energy: -597.708
Base-Backbone interact. energy: -4.967
local terms energy: -665.804479
where:
bonds (distance) C4'-P energy: -125.854
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -147.148
flat angles P-C4'-P energy: -83.746
tors. eta vs tors. theta energy: -179.990
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: -2064.413654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.413654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.413654 (E_RNA)
where:
Base-Base interactions energy: -1400.608
where: short stacking energy: -585.645
Base-Backbone interact. energy: -2.597
local terms energy: -661.208538
where:
bonds (distance) C4'-P energy: -134.540
bonds (distance) P-C4' energy: -121.670
flat angles C4'-P-C4' energy: -149.138
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -168.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1950.624744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.624744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.624744 (E_RNA)
where:
Base-Base interactions energy: -1309.460
where: short stacking energy: -568.595
Base-Backbone interact. energy: -6.607
local terms energy: -634.558255
where:
bonds (distance) C4'-P energy: -117.884
bonds (distance) P-C4' energy: -133.179
flat angles C4'-P-C4' energy: -137.256
flat angles P-C4'-P energy: -88.892
tors. eta vs tors. theta energy: -157.348
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: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1751.240565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.240565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.240565 (E_RNA)
where:
Base-Base interactions energy: -1173.596
where: short stacking energy: -534.087
Base-Backbone interact. energy: -2.276
local terms energy: -575.368637
where:
bonds (distance) C4'-P energy: -121.668
bonds (distance) P-C4' energy: -107.326
flat angles C4'-P-C4' energy: -128.530
flat angles P-C4'-P energy: -90.312
tors. eta vs tors. theta energy: -127.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1717.718392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.718392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.718392 (E_RNA)
where:
Base-Base interactions energy: -1163.237
where: short stacking energy: -473.286
Base-Backbone interact. energy: -2.452
local terms energy: -552.029111
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -127.271
flat angles C4'-P-C4' energy: -123.734
flat angles P-C4'-P energy: -70.329
tors. eta vs tors. theta energy: -123.316
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: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1559.655158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.655158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.655158 (E_RNA)
where:
Base-Base interactions energy: -1010.034
where: short stacking energy: -446.250
Base-Backbone interact. energy: -1.219
local terms energy: -548.401886
where:
bonds (distance) C4'-P energy: -94.505
bonds (distance) P-C4' energy: -136.171
flat angles C4'-P-C4' energy: -117.567
flat angles P-C4'-P energy: -64.175
tors. eta vs tors. theta energy: -135.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1085.813010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.813010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.813010 (E_RNA)
where:
Base-Base interactions energy: -646.355
where: short stacking energy: -327.422
Base-Backbone interact. energy: 1.466
local terms energy: -440.924151
where:
bonds (distance) C4'-P energy: -105.656
bonds (distance) P-C4' energy: -110.558
flat angles C4'-P-C4' energy: -97.905
flat angles P-C4'-P energy: -61.316
tors. eta vs tors. theta energy: -65.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1012.645671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.645671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.645671 (E_RNA)
where:
Base-Base interactions energy: -578.408
where: short stacking energy: -312.008
Base-Backbone interact. energy: 2.080
local terms energy: -436.318406
where:
bonds (distance) C4'-P energy: -105.283
bonds (distance) P-C4' energy: -108.499
flat angles C4'-P-C4' energy: -100.180
flat angles P-C4'-P energy: -69.023
tors. eta vs tors. theta energy: -53.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -628.638124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.638124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.638124 (E_RNA)
where:
Base-Base interactions energy: -293.353
where: short stacking energy: -180.577
Base-Backbone interact. energy: -1.912
local terms energy: -333.373757
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -86.449
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: 7.919
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: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -517.832750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.832750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.832750 (E_RNA)
where:
Base-Base interactions energy: -201.905
where: short stacking energy: -161.880
Base-Backbone interact. energy: -0.125
local terms energy: -315.802405
where:
bonds (distance) C4'-P energy: -104.978
bonds (distance) P-C4' energy: -115.637
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: 23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2107.501944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.501944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.501944 (E_RNA)
where:
Base-Base interactions energy: -1434.135
where: short stacking energy: -588.644
Base-Backbone interact. energy: 1.977
local terms energy: -675.343941
where:
bonds (distance) C4'-P energy: -122.688
bonds (distance) P-C4' energy: -136.782
flat angles C4'-P-C4' energy: -149.861
flat angles P-C4'-P energy: -92.653
tors. eta vs tors. theta energy: -173.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2072.444354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.444354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.444354 (E_RNA)
where:
Base-Base interactions energy: -1434.089
where: short stacking energy: -586.484
Base-Backbone interact. energy: -2.853
local terms energy: -635.502021
where:
bonds (distance) C4'-P energy: -126.862
bonds (distance) P-C4' energy: -121.891
flat angles C4'-P-C4' energy: -136.101
flat angles P-C4'-P energy: -87.428
tors. eta vs tors. theta energy: -163.220
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: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1922.825647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.825647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.825647 (E_RNA)
where:
Base-Base interactions energy: -1300.922
where: short stacking energy: -557.554
Base-Backbone interact. energy: -2.487
local terms energy: -619.416660
where:
bonds (distance) C4'-P energy: -128.259
bonds (distance) P-C4' energy: -117.869
flat angles C4'-P-C4' energy: -135.725
flat angles P-C4'-P energy: -77.724
tors. eta vs tors. theta energy: -159.840
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: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1741.827974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.827974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.827974 (E_RNA)
where:
Base-Base interactions energy: -1162.890
where: short stacking energy: -522.338
Base-Backbone interact. energy: -3.601
local terms energy: -575.336794
where:
bonds (distance) C4'-P energy: -104.975
bonds (distance) P-C4' energy: -115.176
flat angles C4'-P-C4' energy: -135.323
flat angles P-C4'-P energy: -79.065
tors. eta vs tors. theta energy: -140.799
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: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1681.878806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.878806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.878806 (E_RNA)
where:
Base-Base interactions energy: -1131.814
where: short stacking energy: -486.979
Base-Backbone interact. energy: -1.337
local terms energy: -548.728231
where:
bonds (distance) C4'-P energy: -113.837
bonds (distance) P-C4' energy: -109.413
flat angles C4'-P-C4' energy: -132.716
flat angles P-C4'-P energy: -67.168
tors. eta vs tors. theta energy: -125.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1540.727270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.727270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.727270 (E_RNA)
where:
Base-Base interactions energy: -1010.672
where: short stacking energy: -456.128
Base-Backbone interact. energy: -1.788
local terms energy: -528.267874
where:
bonds (distance) C4'-P energy: -118.012
bonds (distance) P-C4' energy: -98.274
flat angles C4'-P-C4' energy: -118.279
flat angles P-C4'-P energy: -74.169
tors. eta vs tors. theta energy: -119.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1102.249580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.249580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.249580 (E_RNA)
where:
Base-Base interactions energy: -631.222
where: short stacking energy: -322.071
Base-Backbone interact. energy: -1.571
local terms energy: -469.456908
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -124.089
flat angles C4'-P-C4' energy: -96.991
flat angles P-C4'-P energy: -79.981
tors. eta vs tors. theta energy: -65.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -994.308122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.308122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.308122 (E_RNA)
where:
Base-Base interactions energy: -598.666
where: short stacking energy: -301.069
Base-Backbone interact. energy: 1.073
local terms energy: -396.715526
where:
bonds (distance) C4'-P energy: -102.085
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -72.930
tors. eta vs tors. theta energy: -35.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -604.542278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.542278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.542278 (E_RNA)
where:
Base-Base interactions energy: -267.586
where: short stacking energy: -170.107
Base-Backbone interact. energy: -1.786
local terms energy: -335.170190
where:
bonds (distance) C4'-P energy: -106.143
bonds (distance) P-C4' energy: -101.704
flat angles C4'-P-C4' energy: -96.664
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: 14.278
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -531.589901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.589901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.589901 (E_RNA)
where:
Base-Base interactions energy: -209.166
where: short stacking energy: -183.827
Base-Backbone interact. energy: 0.377
local terms energy: -322.801001
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -112.072
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -56.264
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2112.919015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.919015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.919015 (E_RNA)
where:
Base-Base interactions energy: -1459.197
where: short stacking energy: -616.464
Base-Backbone interact. energy: -4.973
local terms energy: -648.749328
where:
bonds (distance) C4'-P energy: -125.768
bonds (distance) P-C4' energy: -118.601
flat angles C4'-P-C4' energy: -153.529
flat angles P-C4'-P energy: -81.136
tors. eta vs tors. theta energy: -169.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2044.874426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.874426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.874426 (E_RNA)
where:
Base-Base interactions energy: -1405.922
where: short stacking energy: -589.954
Base-Backbone interact. energy: -0.419
local terms energy: -638.533335
where:
bonds (distance) C4'-P energy: -130.698
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -129.862
flat angles P-C4'-P energy: -91.226
tors. eta vs tors. theta energy: -162.424
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1923.629570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.629570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.629570 (E_RNA)
where:
Base-Base interactions energy: -1307.510
where: short stacking energy: -555.289
Base-Backbone interact. energy: -4.081
local terms energy: -612.037908
where:
bonds (distance) C4'-P energy: -117.637
bonds (distance) P-C4' energy: -120.720
flat angles C4'-P-C4' energy: -134.594
flat angles P-C4'-P energy: -82.626
tors. eta vs tors. theta energy: -156.460
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: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1717.705949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.705949 (E_RNA)
where:
Base-Base interactions energy: -1150.364
where: short stacking energy: -476.214
Base-Backbone interact. energy: -1.271
local terms energy: -566.070786
where:
bonds (distance) C4'-P energy: -112.839
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -121.246
flat angles P-C4'-P energy: -85.483
tors. eta vs tors. theta energy: -130.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1610.951537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.951537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.951537 (E_RNA)
where:
Base-Base interactions energy: -1048.699
where: short stacking energy: -496.885
Base-Backbone interact. energy: -0.904
local terms energy: -561.347970
where:
bonds (distance) C4'-P energy: -122.102
bonds (distance) P-C4' energy: -126.584
flat angles C4'-P-C4' energy: -110.213
flat angles P-C4'-P energy: -80.455
tors. eta vs tors. theta energy: -121.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1624.551751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.551751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.551751 (E_RNA)
where:
Base-Base interactions energy: -1097.025
where: short stacking energy: -458.393
Base-Backbone interact. energy: -6.257
local terms energy: -521.270030
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -113.399
flat angles C4'-P-C4' energy: -117.418
flat angles P-C4'-P energy: -68.119
tors. eta vs tors. theta energy: -114.556
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: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1049.661254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.661254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.661254 (E_RNA)
where:
Base-Base interactions energy: -619.063
where: short stacking energy: -297.927
Base-Backbone interact. energy: -1.727
local terms energy: -428.871864
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -99.909
flat angles C4'-P-C4' energy: -114.832
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -49.226
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: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1030.865333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.865333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.865333 (E_RNA)
where:
Base-Base interactions energy: -606.117
where: short stacking energy: -291.068
Base-Backbone interact. energy: -1.410
local terms energy: -423.338861
where:
bonds (distance) C4'-P energy: -113.073
bonds (distance) P-C4' energy: -97.009
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -65.757
tors. eta vs tors. theta energy: -37.308
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -657.857532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.857532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.857532 (E_RNA)
where:
Base-Base interactions energy: -313.390
where: short stacking energy: -183.231
Base-Backbone interact. energy: -0.129
local terms energy: -344.339291
where:
bonds (distance) C4'-P energy: -107.557
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -88.464
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: 6.432
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: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -515.274593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.274593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.274593 (E_RNA)
where:
Base-Base interactions energy: -198.171
where: short stacking energy: -157.640
Base-Backbone interact. energy: 1.732
local terms energy: -318.835325
where:
bonds (distance) C4'-P energy: -87.025
bonds (distance) P-C4' energy: -101.008
flat angles C4'-P-C4' energy: -95.190
flat angles P-C4'-P energy: -59.968
tors. eta vs tors. theta energy: 24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2122.153585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.153585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.153585 (E_RNA)
where:
Base-Base interactions energy: -1473.003
where: short stacking energy: -620.197
Base-Backbone interact. energy: 4.072
local terms energy: -653.222465
where:
bonds (distance) C4'-P energy: -130.660
bonds (distance) P-C4' energy: -123.422
flat angles C4'-P-C4' energy: -131.359
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -179.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2092.576697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.576697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.576697 (E_RNA)
where:
Base-Base interactions energy: -1443.273
where: short stacking energy: -610.067
Base-Backbone interact. energy: -3.503
local terms energy: -645.800687
where:
bonds (distance) C4'-P energy: -120.452
bonds (distance) P-C4' energy: -108.816
flat angles C4'-P-C4' energy: -155.234
flat angles P-C4'-P energy: -94.840
tors. eta vs tors. theta energy: -166.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1922.522747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.522747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.522747 (E_RNA)
where:
Base-Base interactions energy: -1299.725
where: short stacking energy: -556.523
Base-Backbone interact. energy: -4.263
local terms energy: -618.534777
where:
bonds (distance) C4'-P energy: -123.600
bonds (distance) P-C4' energy: -122.666
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -86.216
tors. eta vs tors. theta energy: -151.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1736.544855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.544855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.544855 (E_RNA)
where:
Base-Base interactions energy: -1168.383
where: short stacking energy: -523.187
Base-Backbone interact. energy: -2.782
local terms energy: -565.380222
where:
bonds (distance) C4'-P energy: -109.002
bonds (distance) P-C4' energy: -108.273
flat angles C4'-P-C4' energy: -124.025
flat angles P-C4'-P energy: -84.029
tors. eta vs tors. theta energy: -140.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1607.384115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.384115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.384115 (E_RNA)
where:
Base-Base interactions energy: -1034.057
where: short stacking energy: -477.156
Base-Backbone interact. energy: -1.896
local terms energy: -571.431177
where:
bonds (distance) C4'-P energy: -110.094
bonds (distance) P-C4' energy: -126.574
flat angles C4'-P-C4' energy: -121.695
flat angles P-C4'-P energy: -79.694
tors. eta vs tors. theta energy: -133.374
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1644.244320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.244320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.244320 (E_RNA)
where:
Base-Base interactions energy: -1121.739
where: short stacking energy: -467.303
Base-Backbone interact. energy: 1.342
local terms energy: -523.847338
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -101.469
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -116.583
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: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -996.648726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.648726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.648726 (E_RNA)
where:
Base-Base interactions energy: -563.637
where: short stacking energy: -272.367
Base-Backbone interact. energy: -1.140
local terms energy: -431.871047
where:
bonds (distance) C4'-P energy: -108.596
bonds (distance) P-C4' energy: -112.870
flat angles C4'-P-C4' energy: -105.108
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1000.852707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.852707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.852707 (E_RNA)
where:
Base-Base interactions energy: -611.090
where: short stacking energy: -282.115
Base-Backbone interact. energy: 0.548
local terms energy: -390.311510
where:
bonds (distance) C4'-P energy: -103.438
bonds (distance) P-C4' energy: -114.767
flat angles C4'-P-C4' energy: -110.487
flat angles P-C4'-P energy: -40.004
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -705.576323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.576323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.576323 (E_RNA)
where:
Base-Base interactions energy: -333.054
where: short stacking energy: -187.680
Base-Backbone interact. energy: 0.635
local terms energy: -373.157727
where:
bonds (distance) C4'-P energy: -116.434
bonds (distance) P-C4' energy: -94.869
flat angles C4'-P-C4' energy: -95.521
flat angles P-C4'-P energy: -69.153
tors. eta vs tors. theta energy: 2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -535.191954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.191954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.191954 (E_RNA)
where:
Base-Base interactions energy: -176.892
where: short stacking energy: -118.238
Base-Backbone interact. energy: -3.314
local terms energy: -354.985218
where:
bonds (distance) C4'-P energy: -105.391
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -106.097
flat angles P-C4'-P energy: -58.015
tors. eta vs tors. theta energy: 26.473
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: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2148.688525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.688525 (E_RNA)
where:
Base-Base interactions energy: -1488.008
where: short stacking energy: -617.843
Base-Backbone interact. energy: -1.693
local terms energy: -658.987476
where:
bonds (distance) C4'-P energy: -129.889
bonds (distance) P-C4' energy: -144.472
flat angles C4'-P-C4' energy: -130.576
flat angles P-C4'-P energy: -76.951
tors. eta vs tors. theta energy: -177.099
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: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2071.219243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.219243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.219243 (E_RNA)
where:
Base-Base interactions energy: -1435.472
where: short stacking energy: -605.329
Base-Backbone interact. energy: -4.488
local terms energy: -631.259282
where:
bonds (distance) C4'-P energy: -113.031
bonds (distance) P-C4' energy: -125.938
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -93.682
tors. eta vs tors. theta energy: -154.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1953.514360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.514360 (E_RNA)
where:
Base-Base interactions energy: -1349.088
where: short stacking energy: -559.237
Base-Backbone interact. energy: -1.825
local terms energy: -602.601794
where:
bonds (distance) C4'-P energy: -101.977
bonds (distance) P-C4' energy: -126.061
flat angles C4'-P-C4' energy: -139.780
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -149.745
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: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1747.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.487643 (E_RNA)
where:
Base-Base interactions energy: -1152.520
where: short stacking energy: -538.425
Base-Backbone interact. energy: 0.597
local terms energy: -595.564733
where:
bonds (distance) C4'-P energy: -112.432
bonds (distance) P-C4' energy: -117.918
flat angles C4'-P-C4' energy: -129.095
flat angles P-C4'-P energy: -100.468
tors. eta vs tors. theta energy: -135.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1698.843146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.843146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.843146 (E_RNA)
where:
Base-Base interactions energy: -1140.751
where: short stacking energy: -478.504
Base-Backbone interact. energy: -1.222
local terms energy: -556.869748
where:
bonds (distance) C4'-P energy: -111.053
bonds (distance) P-C4' energy: -126.774
flat angles C4'-P-C4' energy: -122.786
flat angles P-C4'-P energy: -79.856
tors. eta vs tors. theta energy: -116.400
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1610.317065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.317065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.317065 (E_RNA)
where:
Base-Base interactions energy: -1057.249
where: short stacking energy: -468.130
Base-Backbone interact. energy: -2.500
local terms energy: -550.568378
where:
bonds (distance) C4'-P energy: -104.180
bonds (distance) P-C4' energy: -127.857
flat angles C4'-P-C4' energy: -119.270
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -137.817
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: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1059.280211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.280211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.280211 (E_RNA)
where:
Base-Base interactions energy: -620.503
where: short stacking energy: -325.968
Base-Backbone interact. energy: 1.484
local terms energy: -440.261387
where:
bonds (distance) C4'-P energy: -105.487
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -114.008
flat angles P-C4'-P energy: -69.031
tors. eta vs tors. theta energy: -49.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -840.781613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.781613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.781613 (E_RNA)
where:
Base-Base interactions energy: -428.524
where: short stacking energy: -251.045
Base-Backbone interact. energy: 0.512
local terms energy: -412.769999
where:
bonds (distance) C4'-P energy: -114.402
bonds (distance) P-C4' energy: -110.835
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -49.040
tors. eta vs tors. theta energy: -41.428
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: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -699.740545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.740545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.740545 (E_RNA)
where:
Base-Base interactions energy: -326.672
where: short stacking energy: -202.202
Base-Backbone interact. energy: 1.180
local terms energy: -374.248349
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -115.354
flat angles C4'-P-C4' energy: -92.579
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -584.045416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.045416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.045416 (E_RNA)
where:
Base-Base interactions energy: -238.475
where: short stacking energy: -173.377
Base-Backbone interact. energy: -2.598
local terms energy: -342.972442
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -96.421
flat angles C4'-P-C4' energy: -82.371
flat angles P-C4'-P energy: -55.606
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2142.707681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.707681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.707681 (E_RNA)
where:
Base-Base interactions energy: -1486.806
where: short stacking energy: -616.085
Base-Backbone interact. energy: -3.059
local terms energy: -652.841869
where:
bonds (distance) C4'-P energy: -123.377
bonds (distance) P-C4' energy: -129.855
flat angles C4'-P-C4' energy: -141.448
flat angles P-C4'-P energy: -79.656
tors. eta vs tors. theta energy: -178.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2057.611616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.611616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.611616 (E_RNA)
where:
Base-Base interactions energy: -1445.637
where: short stacking energy: -577.717
Base-Backbone interact. energy: -0.612
local terms energy: -611.361822
where:
bonds (distance) C4'-P energy: -123.073
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -127.989
flat angles P-C4'-P energy: -82.582
tors. eta vs tors. theta energy: -148.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1965.457953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.457953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.457953 (E_RNA)
where:
Base-Base interactions energy: -1366.386
where: short stacking energy: -540.636
Base-Backbone interact. energy: -4.254
local terms energy: -594.818453
where:
bonds (distance) C4'-P energy: -115.232
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -139.896
flat angles P-C4'-P energy: -88.243
tors. eta vs tors. theta energy: -153.994
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: 157
Temperature: 1.050000
Total energy: -1736.777320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.777320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.777320 (E_RNA)
where:
Base-Base interactions energy: -1169.566
where: short stacking energy: -509.452
Base-Backbone interact. energy: -1.531
local terms energy: -565.680367
where:
bonds (distance) C4'-P energy: -117.081
bonds (distance) P-C4' energy: -114.646
flat angles C4'-P-C4' energy: -113.676
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -135.271
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1675.597340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.597340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.597340 (E_RNA)
where:
Base-Base interactions energy: -1118.131
where: short stacking energy: -489.483
Base-Backbone interact. energy: -1.628
local terms energy: -555.838603
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -112.250
flat angles C4'-P-C4' energy: -129.490
flat angles P-C4'-P energy: -80.131
tors. eta vs tors. theta energy: -122.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1601.320310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.320310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.320310 (E_RNA)
where:
Base-Base interactions energy: -1029.343
where: short stacking energy: -476.076
Base-Backbone interact. energy: -0.210
local terms energy: -571.766782
where:
bonds (distance) C4'-P energy: -106.866
bonds (distance) P-C4' energy: -114.910
flat angles C4'-P-C4' energy: -134.708
flat angles P-C4'-P energy: -74.067
tors. eta vs tors. theta energy: -141.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1052.573869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.573869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.573869 (E_RNA)
where:
Base-Base interactions energy: -639.871
where: short stacking energy: -319.897
Base-Backbone interact. energy: -3.559
local terms energy: -409.143422
where:
bonds (distance) C4'-P energy: -109.093
bonds (distance) P-C4' energy: -95.617
flat angles C4'-P-C4' energy: -85.960
flat angles P-C4'-P energy: -65.346
tors. eta vs tors. theta energy: -53.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -859.129304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.129304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.129304 (E_RNA)
where:
Base-Base interactions energy: -481.604
where: short stacking energy: -257.661
Base-Backbone interact. energy: -3.434
local terms energy: -374.091023
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -103.465
flat angles C4'-P-C4' energy: -91.429
flat angles P-C4'-P energy: -62.624
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -679.853238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.853238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.853238 (E_RNA)
where:
Base-Base interactions energy: -300.424
where: short stacking energy: -189.236
Base-Backbone interact. energy: -0.709
local terms energy: -378.720233
where:
bonds (distance) C4'-P energy: -95.745
bonds (distance) P-C4' energy: -106.606
flat angles C4'-P-C4' energy: -96.302
flat angles P-C4'-P energy: -70.214
tors. eta vs tors. theta energy: -9.853
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -622.391799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.391799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.391799 (E_RNA)
where:
Base-Base interactions energy: -301.837
where: short stacking energy: -172.489
Base-Backbone interact. energy: 0.358
local terms energy: -320.912281
where:
bonds (distance) C4'-P energy: -101.744
bonds (distance) P-C4' energy: -88.854
flat angles C4'-P-C4' energy: -87.542
flat angles P-C4'-P energy: -54.405
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2140.689765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.689765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.689765 (E_RNA)
where:
Base-Base interactions energy: -1461.556
where: short stacking energy: -606.682
Base-Backbone interact. energy: -4.361
local terms energy: -674.772652
where:
bonds (distance) C4'-P energy: -127.506
bonds (distance) P-C4' energy: -134.743
flat angles C4'-P-C4' energy: -142.687
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -174.752
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2061.644606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.644606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.644606 (E_RNA)
where:
Base-Base interactions energy: -1435.086
where: short stacking energy: -616.354
Base-Backbone interact. energy: -1.765
local terms energy: -624.793754
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -128.316
flat angles C4'-P-C4' energy: -132.792
flat angles P-C4'-P energy: -86.824
tors. eta vs tors. theta energy: -164.943
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: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1985.628964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.628964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.628964 (E_RNA)
where:
Base-Base interactions energy: -1370.995
where: short stacking energy: -550.475
Base-Backbone interact. energy: 2.240
local terms energy: -616.873824
where:
bonds (distance) C4'-P energy: -112.877
bonds (distance) P-C4' energy: -114.746
flat angles C4'-P-C4' energy: -142.342
flat angles P-C4'-P energy: -90.872
tors. eta vs tors. theta energy: -156.037
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: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1762.991472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.991472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.991472 (E_RNA)
where:
Base-Base interactions energy: -1196.419
where: short stacking energy: -530.521
Base-Backbone interact. energy: -3.259
local terms energy: -563.313477
where:
bonds (distance) C4'-P energy: -113.341
bonds (distance) P-C4' energy: -111.487
flat angles C4'-P-C4' energy: -130.212
flat angles P-C4'-P energy: -66.029
tors. eta vs tors. theta energy: -142.244
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: 158
Temperature: 1.100000
Total energy: -1641.805849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.805849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.805849 (E_RNA)
where:
Base-Base interactions energy: -1087.944
where: short stacking energy: -485.711
Base-Backbone interact. energy: -1.182
local terms energy: -552.679570
where:
bonds (distance) C4'-P energy: -109.458
bonds (distance) P-C4' energy: -113.525
flat angles C4'-P-C4' energy: -125.591
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -123.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1603.867180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.867180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.867180 (E_RNA)
where:
Base-Base interactions energy: -1057.031
where: short stacking energy: -437.436
Base-Backbone interact. energy: -2.505
local terms energy: -544.331718
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -120.188
flat angles C4'-P-C4' energy: -129.035
flat angles P-C4'-P energy: -63.029
tors. eta vs tors. theta energy: -126.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1041.448338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.448338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.448338 (E_RNA)
where:
Base-Base interactions energy: -622.200
where: short stacking energy: -313.982
Base-Backbone interact. energy: -0.237
local terms energy: -419.011457
where:
bonds (distance) C4'-P energy: -95.745
bonds (distance) P-C4' energy: -119.696
flat angles C4'-P-C4' energy: -105.971
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -50.098
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: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -979.459831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.459831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.459831 (E_RNA)
where:
Base-Base interactions energy: -577.859
where: short stacking energy: -284.351
Base-Backbone interact. energy: 1.256
local terms energy: -402.856531
where:
bonds (distance) C4'-P energy: -107.502
bonds (distance) P-C4' energy: -107.463
flat angles C4'-P-C4' energy: -92.865
flat angles P-C4'-P energy: -55.582
tors. eta vs tors. theta energy: -39.444
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -671.820467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.820467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.820467 (E_RNA)
where:
Base-Base interactions energy: -322.662
where: short stacking energy: -205.947
Base-Backbone interact. energy: -2.555
local terms energy: -346.603337
where:
bonds (distance) C4'-P energy: -87.258
bonds (distance) P-C4' energy: -100.888
flat angles C4'-P-C4' energy: -100.435
flat angles P-C4'-P energy: -61.615
tors. eta vs tors. theta energy: 3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -560.693172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.693172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.693172 (E_RNA)
where:
Base-Base interactions energy: -229.893
where: short stacking energy: -144.101
Base-Backbone interact. energy: -0.638
local terms energy: -330.162109
where:
bonds (distance) C4'-P energy: -83.146
bonds (distance) P-C4' energy: -115.895
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -68.318
tors. eta vs tors. theta energy: 13.272
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2136.512878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.512878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.512878 (E_RNA)
where:
Base-Base interactions energy: -1471.552
where: short stacking energy: -608.451
Base-Backbone interact. energy: -0.282
local terms energy: -664.679449
where:
bonds (distance) C4'-P energy: -132.604
bonds (distance) P-C4' energy: -123.305
flat angles C4'-P-C4' energy: -148.099
flat angles P-C4'-P energy: -84.434
tors. eta vs tors. theta energy: -176.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2027.998559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.998559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.998559 (E_RNA)
where:
Base-Base interactions energy: -1385.434
where: short stacking energy: -588.948
Base-Backbone interact. energy: -1.226
local terms energy: -641.337778
where:
bonds (distance) C4'-P energy: -126.138
bonds (distance) P-C4' energy: -120.200
flat angles C4'-P-C4' energy: -137.907
flat angles P-C4'-P energy: -92.829
tors. eta vs tors. theta energy: -164.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1934.988421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.988421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.988421 (E_RNA)
where:
Base-Base interactions energy: -1322.825
where: short stacking energy: -558.058
Base-Backbone interact. energy: -5.969
local terms energy: -606.194139
where:
bonds (distance) C4'-P energy: -113.770
bonds (distance) P-C4' energy: -112.882
flat angles C4'-P-C4' energy: -135.740
flat angles P-C4'-P energy: -95.819
tors. eta vs tors. theta energy: -147.983
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: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1750.121165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.121165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.121165 (E_RNA)
where:
Base-Base interactions energy: -1200.038
where: short stacking energy: -526.669
Base-Backbone interact. energy: 0.691
local terms energy: -550.773453
where:
bonds (distance) C4'-P energy: -97.105
bonds (distance) P-C4' energy: -126.844
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -80.735
tors. eta vs tors. theta energy: -125.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1646.444253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.444253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.444253 (E_RNA)
where:
Base-Base interactions energy: -1097.041
where: short stacking energy: -456.700
Base-Backbone interact. energy: -1.673
local terms energy: -547.730663
where:
bonds (distance) C4'-P energy: -119.148
bonds (distance) P-C4' energy: -115.408
flat angles C4'-P-C4' energy: -125.344
flat angles P-C4'-P energy: -81.546
tors. eta vs tors. theta energy: -106.286
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1532.162980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.162980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.162980 (E_RNA)
where:
Base-Base interactions energy: -1009.461
where: short stacking energy: -452.822
Base-Backbone interact. energy: 2.783
local terms energy: -525.484254
where:
bonds (distance) C4'-P energy: -105.921
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -106.157
flat angles P-C4'-P energy: -80.464
tors. eta vs tors. theta energy: -124.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1044.386912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.386912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.386912 (E_RNA)
where:
Base-Base interactions energy: -598.219
where: short stacking energy: -293.019
Base-Backbone interact. energy: -1.696
local terms energy: -444.471171
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -108.367
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -69.303
tors. eta vs tors. theta energy: -49.951
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -922.605322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.605322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.605322 (E_RNA)
where:
Base-Base interactions energy: -501.681
where: short stacking energy: -260.081
Base-Backbone interact. energy: -2.196
local terms energy: -418.728091
where:
bonds (distance) C4'-P energy: -104.537
bonds (distance) P-C4' energy: -114.424
flat angles C4'-P-C4' energy: -111.882
flat angles P-C4'-P energy: -62.938
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -649.172621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.172621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.172621 (E_RNA)
where:
Base-Base interactions energy: -316.474
where: short stacking energy: -176.628
Base-Backbone interact. energy: -1.634
local terms energy: -331.064553
where:
bonds (distance) C4'-P energy: -100.171
bonds (distance) P-C4' energy: -112.582
flat angles C4'-P-C4' energy: -80.204
flat angles P-C4'-P energy: -49.169
tors. eta vs tors. theta energy: 11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -558.455814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.455814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.455814 (E_RNA)
where:
Base-Base interactions energy: -240.774
where: short stacking energy: -135.961
Base-Backbone interact. energy: 10.999
local terms energy: -328.680608
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -117.856
flat angles C4'-P-C4' energy: -69.042
flat angles P-C4'-P energy: -75.490
tors. eta vs tors. theta energy: 26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2127.698610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.698610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.698610 (E_RNA)
where:
Base-Base interactions energy: -1459.313
where: short stacking energy: -619.475
Base-Backbone interact. energy: -5.538
local terms energy: -662.847404
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -118.654
flat angles C4'-P-C4' energy: -141.486
flat angles P-C4'-P energy: -90.499
tors. eta vs tors. theta energy: -182.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2042.180782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.180782 (E_RNA)
where:
Base-Base interactions energy: -1390.544
where: short stacking energy: -607.580
Base-Backbone interact. energy: 1.833
local terms energy: -653.469808
where:
bonds (distance) C4'-P energy: -120.773
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -136.315
flat angles P-C4'-P energy: -95.409
tors. eta vs tors. theta energy: -181.513
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1905.998831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.998831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.998831 (E_RNA)
where:
Base-Base interactions energy: -1311.932
where: short stacking energy: -552.054
Base-Backbone interact. energy: -4.205
local terms energy: -589.862273
where:
bonds (distance) C4'-P energy: -106.779
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -126.483
flat angles P-C4'-P energy: -88.289
tors. eta vs tors. theta energy: -140.591
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: 160
Temperature: 1.050000
Total energy: -1795.108365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.108365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.108365 (E_RNA)
where:
Base-Base interactions energy: -1222.735
where: short stacking energy: -535.839
Base-Backbone interact. energy: -4.366
local terms energy: -568.007135
where:
bonds (distance) C4'-P energy: -117.304
bonds (distance) P-C4' energy: -111.531
flat angles C4'-P-C4' energy: -122.791
flat angles P-C4'-P energy: -88.478
tors. eta vs tors. theta energy: -127.902
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: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1665.359994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.359994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.359994 (E_RNA)
where:
Base-Base interactions energy: -1087.626
where: short stacking energy: -512.932
Base-Backbone interact. energy: 3.197
local terms energy: -580.930882
where:
bonds (distance) C4'-P energy: -116.870
bonds (distance) P-C4' energy: -116.234
flat angles C4'-P-C4' energy: -134.682
flat angles P-C4'-P energy: -84.324
tors. eta vs tors. theta energy: -128.822
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: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1558.733556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.733556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.733556 (E_RNA)
where:
Base-Base interactions energy: -996.162
where: short stacking energy: -457.016
Base-Backbone interact. energy: -3.603
local terms energy: -558.968538
where:
bonds (distance) C4'-P energy: -100.581
bonds (distance) P-C4' energy: -118.942
flat angles C4'-P-C4' energy: -132.203
flat angles P-C4'-P energy: -76.230
tors. eta vs tors. theta energy: -131.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1034.179039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.179039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.179039 (E_RNA)
where:
Base-Base interactions energy: -584.509
where: short stacking energy: -296.228
Base-Backbone interact. energy: -5.057
local terms energy: -444.612870
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -99.442
flat angles C4'-P-C4' energy: -97.118
flat angles P-C4'-P energy: -70.952
tors. eta vs tors. theta energy: -55.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -938.347265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.347265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.347265 (E_RNA)
where:
Base-Base interactions energy: -495.247
where: short stacking energy: -269.724
Base-Backbone interact. energy: 3.291
local terms energy: -446.390737
where:
bonds (distance) C4'-P energy: -112.873
bonds (distance) P-C4' energy: -103.839
flat angles C4'-P-C4' energy: -105.836
flat angles P-C4'-P energy: -79.047
tors. eta vs tors. theta energy: -44.795
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: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -653.233188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.233188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.233188 (E_RNA)
where:
Base-Base interactions energy: -306.847
where: short stacking energy: -184.662
Base-Backbone interact. energy: -1.638
local terms energy: -344.747926
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -113.460
flat angles C4'-P-C4' energy: -106.072
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: 17.730
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: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -562.568240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.568240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.568240 (E_RNA)
where:
Base-Base interactions energy: -242.512
where: short stacking energy: -177.984
Base-Backbone interact. energy: -0.739
local terms energy: -319.317727
where:
bonds (distance) C4'-P energy: -88.642
bonds (distance) P-C4' energy: -103.652
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -71.116
tors. eta vs tors. theta energy: 18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2152.488113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.488113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.488113 (E_RNA)
where:
Base-Base interactions energy: -1468.747
where: short stacking energy: -643.214
Base-Backbone interact. energy: -4.035
local terms energy: -679.705997
where:
bonds (distance) C4'-P energy: -128.215
bonds (distance) P-C4' energy: -138.558
flat angles C4'-P-C4' energy: -148.808
flat angles P-C4'-P energy: -81.509
tors. eta vs tors. theta energy: -182.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2022.861435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.861435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.861435 (E_RNA)
where:
Base-Base interactions energy: -1380.854
where: short stacking energy: -578.864
Base-Backbone interact. energy: -3.839
local terms energy: -638.168173
where:
bonds (distance) C4'-P energy: -123.532
bonds (distance) P-C4' energy: -134.884
flat angles C4'-P-C4' energy: -128.774
flat angles P-C4'-P energy: -85.400
tors. eta vs tors. theta energy: -165.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1918.688791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.688791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.688791 (E_RNA)
where:
Base-Base interactions energy: -1280.135
where: short stacking energy: -556.726
Base-Backbone interact. energy: -1.544
local terms energy: -637.010570
where:
bonds (distance) C4'-P energy: -120.689
bonds (distance) P-C4' energy: -133.356
flat angles C4'-P-C4' energy: -139.048
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -160.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1795.352057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.352057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.352057 (E_RNA)
where:
Base-Base interactions energy: -1203.418
where: short stacking energy: -513.172
Base-Backbone interact. energy: -3.178
local terms energy: -588.756036
where:
bonds (distance) C4'-P energy: -108.475
bonds (distance) P-C4' energy: -126.090
flat angles C4'-P-C4' energy: -127.922
flat angles P-C4'-P energy: -86.078
tors. eta vs tors. theta energy: -140.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1664.318654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.318654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.318654 (E_RNA)
where:
Base-Base interactions energy: -1108.298
where: short stacking energy: -508.202
Base-Backbone interact. energy: -0.962
local terms energy: -555.059023
where:
bonds (distance) C4'-P energy: -110.040
bonds (distance) P-C4' energy: -122.322
flat angles C4'-P-C4' energy: -126.260
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -119.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1517.234723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.234723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.234723 (E_RNA)
where:
Base-Base interactions energy: -980.268
where: short stacking energy: -475.277
Base-Backbone interact. energy: -2.335
local terms energy: -534.631653
where:
bonds (distance) C4'-P energy: -110.047
bonds (distance) P-C4' energy: -84.196
flat angles C4'-P-C4' energy: -128.584
flat angles P-C4'-P energy: -73.839
tors. eta vs tors. theta energy: -137.966
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: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1065.518166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.518166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.518166 (E_RNA)
where:
Base-Base interactions energy: -595.841
where: short stacking energy: -310.901
Base-Backbone interact. energy: -3.380
local terms energy: -466.296779
where:
bonds (distance) C4'-P energy: -103.175
bonds (distance) P-C4' energy: -116.608
flat angles C4'-P-C4' energy: -119.576
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -63.189
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -907.448885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.448885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.448885 (E_RNA)
where:
Base-Base interactions energy: -519.931
where: short stacking energy: -266.487
Base-Backbone interact. energy: 2.693
local terms energy: -390.210946
where:
bonds (distance) C4'-P energy: -105.153
bonds (distance) P-C4' energy: -105.758
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -57.091
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -643.183923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.183923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.183923 (E_RNA)
where:
Base-Base interactions energy: -291.511
where: short stacking energy: -169.305
Base-Backbone interact. energy: -1.455
local terms energy: -350.218267
where:
bonds (distance) C4'-P energy: -104.612
bonds (distance) P-C4' energy: -88.117
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -66.921
tors. eta vs tors. theta energy: 13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -562.845882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.845882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.845882 (E_RNA)
where:
Base-Base interactions energy: -261.011
where: short stacking energy: -186.240
Base-Backbone interact. energy: 0.242
local terms energy: -302.077366
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -82.765
flat angles C4'-P-C4' energy: -72.488
flat angles P-C4'-P energy: -47.828
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: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2153.734319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.734319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.734319 (E_RNA)
where:
Base-Base interactions energy: -1458.268
where: short stacking energy: -649.158
Base-Backbone interact. energy: -1.893
local terms energy: -693.574029
where:
bonds (distance) C4'-P energy: -124.801
bonds (distance) P-C4' energy: -143.988
flat angles C4'-P-C4' energy: -148.083
flat angles P-C4'-P energy: -88.678
tors. eta vs tors. theta energy: -188.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2048.033217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.033217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.033217 (E_RNA)
where:
Base-Base interactions energy: -1402.551
where: short stacking energy: -574.018
Base-Backbone interact. energy: -2.484
local terms energy: -642.998422
where:
bonds (distance) C4'-P energy: -117.839
bonds (distance) P-C4' energy: -124.175
flat angles C4'-P-C4' energy: -147.950
flat angles P-C4'-P energy: -88.433
tors. eta vs tors. theta energy: -164.601
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: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1916.362265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.362265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.362265 (E_RNA)
where:
Base-Base interactions energy: -1310.957
where: short stacking energy: -562.930
Base-Backbone interact. energy: -3.368
local terms energy: -602.036935
where:
bonds (distance) C4'-P energy: -106.588
bonds (distance) P-C4' energy: -118.926
flat angles C4'-P-C4' energy: -126.006
flat angles P-C4'-P energy: -100.476
tors. eta vs tors. theta energy: -150.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1760.573214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.573214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.573214 (E_RNA)
where:
Base-Base interactions energy: -1157.994
where: short stacking energy: -491.729
Base-Backbone interact. energy: -0.439
local terms energy: -602.140542
where:
bonds (distance) C4'-P energy: -115.212
bonds (distance) P-C4' energy: -122.446
flat angles C4'-P-C4' energy: -138.891
flat angles P-C4'-P energy: -93.443
tors. eta vs tors. theta energy: -132.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1591.371464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.371464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.371464 (E_RNA)
where:
Base-Base interactions energy: -1028.571
where: short stacking energy: -479.636
Base-Backbone interact. energy: 6.667
local terms energy: -569.466880
where:
bonds (distance) C4'-P energy: -119.949
bonds (distance) P-C4' energy: -116.267
flat angles C4'-P-C4' energy: -126.077
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1542.154189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.154189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.154189 (E_RNA)
where:
Base-Base interactions energy: -994.430
where: short stacking energy: -450.164
Base-Backbone interact. energy: -0.906
local terms energy: -546.818081
where:
bonds (distance) C4'-P energy: -103.023
bonds (distance) P-C4' energy: -130.557
flat angles C4'-P-C4' energy: -125.673
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -124.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1108.778888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.778888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.778888 (E_RNA)
where:
Base-Base interactions energy: -668.166
where: short stacking energy: -314.052
Base-Backbone interact. energy: 0.752
local terms energy: -441.364623
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -112.189
flat angles C4'-P-C4' energy: -104.749
flat angles P-C4'-P energy: -68.811
tors. eta vs tors. theta energy: -52.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -991.735945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.735945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.735945 (E_RNA)
where:
Base-Base interactions energy: -576.336
where: short stacking energy: -278.725
Base-Backbone interact. energy: -0.454
local terms energy: -414.945446
where:
bonds (distance) C4'-P energy: -118.062
bonds (distance) P-C4' energy: -104.606
flat angles C4'-P-C4' energy: -95.843
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -38.957
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: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -632.010171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.010171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.010171 (E_RNA)
where:
Base-Base interactions energy: -319.933
where: short stacking energy: -194.487
Base-Backbone interact. energy: -0.831
local terms energy: -311.246470
where:
bonds (distance) C4'-P energy: -99.848
bonds (distance) P-C4' energy: -96.447
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -48.690
tors. eta vs tors. theta energy: 13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -571.717277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.717277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.717277 (E_RNA)
where:
Base-Base interactions energy: -264.819
where: short stacking energy: -187.704
Base-Backbone interact. energy: -1.268
local terms energy: -305.630610
where:
bonds (distance) C4'-P energy: -85.656
bonds (distance) P-C4' energy: -105.245
flat angles C4'-P-C4' energy: -94.844
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: 15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2122.866143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.866143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.866143 (E_RNA)
where:
Base-Base interactions energy: -1443.159
where: short stacking energy: -623.098
Base-Backbone interact. energy: -2.927
local terms energy: -676.780200
where:
bonds (distance) C4'-P energy: -126.307
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -146.803
flat angles P-C4'-P energy: -87.483
tors. eta vs tors. theta energy: -180.006
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: 163
Temperature: 0.950000
Total energy: -2079.041923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.041923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.041923 (E_RNA)
where:
Base-Base interactions energy: -1426.640
where: short stacking energy: -600.597
Base-Backbone interact. energy: -4.143
local terms energy: -648.258910
where:
bonds (distance) C4'-P energy: -121.601
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -148.946
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -155.357
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: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1893.821728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.821728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.821728 (E_RNA)
where:
Base-Base interactions energy: -1271.514
where: short stacking energy: -552.087
Base-Backbone interact. energy: -0.750
local terms energy: -621.557712
where:
bonds (distance) C4'-P energy: -119.773
bonds (distance) P-C4' energy: -120.722
flat angles C4'-P-C4' energy: -131.961
flat angles P-C4'-P energy: -91.906
tors. eta vs tors. theta energy: -157.195
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: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1763.628595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.628595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.628595 (E_RNA)
where:
Base-Base interactions energy: -1196.545
where: short stacking energy: -497.409
Base-Backbone interact. energy: -2.617
local terms energy: -564.466226
where:
bonds (distance) C4'-P energy: -118.279
bonds (distance) P-C4' energy: -119.627
flat angles C4'-P-C4' energy: -110.579
flat angles P-C4'-P energy: -67.616
tors. eta vs tors. theta energy: -148.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1613.684780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.684780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.684780 (E_RNA)
where:
Base-Base interactions energy: -1079.319
where: short stacking energy: -450.747
Base-Backbone interact. energy: -2.992
local terms energy: -531.372896
where:
bonds (distance) C4'-P energy: -105.276
bonds (distance) P-C4' energy: -129.120
flat angles C4'-P-C4' energy: -119.286
flat angles P-C4'-P energy: -75.779
tors. eta vs tors. theta energy: -101.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1531.672061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.672061 (E_RNA)
where:
Base-Base interactions energy: -1000.697
where: short stacking energy: -460.590
Base-Backbone interact. energy: -0.265
local terms energy: -530.710268
where:
bonds (distance) C4'-P energy: -110.474
bonds (distance) P-C4' energy: -106.701
flat angles C4'-P-C4' energy: -121.373
flat angles P-C4'-P energy: -63.571
tors. eta vs tors. theta energy: -128.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1072.011097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.011097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.011097 (E_RNA)
where:
Base-Base interactions energy: -619.750
where: short stacking energy: -291.201
Base-Backbone interact. energy: -3.968
local terms energy: -448.293116
where:
bonds (distance) C4'-P energy: -111.061
bonds (distance) P-C4' energy: -122.124
flat angles C4'-P-C4' energy: -108.732
flat angles P-C4'-P energy: -62.625
tors. eta vs tors. theta energy: -43.751
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: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1024.733753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.733753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.733753 (E_RNA)
where:
Base-Base interactions energy: -602.593
where: short stacking energy: -320.231
Base-Backbone interact. energy: 0.283
local terms energy: -422.424469
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -768.169664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.169664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.169664 (E_RNA)
where:
Base-Base interactions energy: -379.696
where: short stacking energy: -218.782
Base-Backbone interact. energy: -0.255
local terms energy: -388.218305
where:
bonds (distance) C4'-P energy: -102.858
bonds (distance) P-C4' energy: -124.415
flat angles C4'-P-C4' energy: -86.536
flat angles P-C4'-P energy: -66.562
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -576.624514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.624514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.624514 (E_RNA)
where:
Base-Base interactions energy: -241.299
where: short stacking energy: -170.106
Base-Backbone interact. energy: 5.040
local terms energy: -340.365458
where:
bonds (distance) C4'-P energy: -104.907
bonds (distance) P-C4' energy: -105.366
flat angles C4'-P-C4' energy: -65.102
flat angles P-C4'-P energy: -64.078
tors. eta vs tors. theta energy: -0.912
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2127.242899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.242899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.242899 (E_RNA)
where:
Base-Base interactions energy: -1451.306
where: short stacking energy: -621.396
Base-Backbone interact. energy: -3.354
local terms energy: -672.583524
where:
bonds (distance) C4'-P energy: -125.294
bonds (distance) P-C4' energy: -115.970
flat angles C4'-P-C4' energy: -146.544
flat angles P-C4'-P energy: -98.739
tors. eta vs tors. theta energy: -186.037
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2060.596839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.596839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.596839 (E_RNA)
where:
Base-Base interactions energy: -1410.694
where: short stacking energy: -584.180
Base-Backbone interact. energy: 1.672
local terms energy: -651.574690
where:
bonds (distance) C4'-P energy: -107.431
bonds (distance) P-C4' energy: -131.567
flat angles C4'-P-C4' energy: -147.741
flat angles P-C4'-P energy: -93.054
tors. eta vs tors. theta energy: -171.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1870.734872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.734872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.734872 (E_RNA)
where:
Base-Base interactions energy: -1287.263
where: short stacking energy: -569.128
Base-Backbone interact. energy: -2.445
local terms energy: -581.026070
where:
bonds (distance) C4'-P energy: -103.173
bonds (distance) P-C4' energy: -102.182
flat angles C4'-P-C4' energy: -130.513
flat angles P-C4'-P energy: -90.643
tors. eta vs tors. theta energy: -154.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1805.231975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.231975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.231975 (E_RNA)
where:
Base-Base interactions energy: -1228.058
where: short stacking energy: -520.532
Base-Backbone interact. energy: 1.867
local terms energy: -579.041539
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -131.241
flat angles C4'-P-C4' energy: -124.931
flat angles P-C4'-P energy: -77.988
tors. eta vs tors. theta energy: -145.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1680.206366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.206366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.206366 (E_RNA)
where:
Base-Base interactions energy: -1097.805
where: short stacking energy: -521.667
Base-Backbone interact. energy: -1.479
local terms energy: -580.922250
where:
bonds (distance) C4'-P energy: -105.666
bonds (distance) P-C4' energy: -101.804
flat angles C4'-P-C4' energy: -129.916
flat angles P-C4'-P energy: -87.423
tors. eta vs tors. theta energy: -156.113
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: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1523.437365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.437365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.437365 (E_RNA)
where:
Base-Base interactions energy: -985.159
where: short stacking energy: -441.293
Base-Backbone interact. energy: -1.385
local terms energy: -536.892934
where:
bonds (distance) C4'-P energy: -112.622
bonds (distance) P-C4' energy: -112.777
flat angles C4'-P-C4' energy: -121.822
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -111.899
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1130.341103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.341103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.341103 (E_RNA)
where:
Base-Base interactions energy: -707.723
where: short stacking energy: -314.516
Base-Backbone interact. energy: -3.881
local terms energy: -418.737058
where:
bonds (distance) C4'-P energy: -99.601
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -105.100
flat angles P-C4'-P energy: -69.621
tors. eta vs tors. theta energy: -49.977
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -999.266199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.266199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.266199 (E_RNA)
where:
Base-Base interactions energy: -559.064
where: short stacking energy: -276.988
Base-Backbone interact. energy: -2.215
local terms energy: -437.987238
where:
bonds (distance) C4'-P energy: -109.349
bonds (distance) P-C4' energy: -117.823
flat angles C4'-P-C4' energy: -108.244
flat angles P-C4'-P energy: -61.361
tors. eta vs tors. theta energy: -41.210
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -713.301453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.301453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.301453 (E_RNA)
where:
Base-Base interactions energy: -348.141
where: short stacking energy: -212.506
Base-Backbone interact. energy: 4.078
local terms energy: -369.239033
where:
bonds (distance) C4'-P energy: -105.974
bonds (distance) P-C4' energy: -106.719
flat angles C4'-P-C4' energy: -100.925
flat angles P-C4'-P energy: -48.207
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -542.674655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.674655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.674655 (E_RNA)
where:
Base-Base interactions energy: -223.063
where: short stacking energy: -156.479
Base-Backbone interact. energy: -2.303
local terms energy: -317.308179
where:
bonds (distance) C4'-P energy: -101.245
bonds (distance) P-C4' energy: -110.132
flat angles C4'-P-C4' energy: -94.960
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: 22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2109.607591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.607591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.607591 (E_RNA)
where:
Base-Base interactions energy: -1451.268
where: short stacking energy: -626.923
Base-Backbone interact. energy: -4.854
local terms energy: -653.485937
where:
bonds (distance) C4'-P energy: -131.130
bonds (distance) P-C4' energy: -116.177
flat angles C4'-P-C4' energy: -148.325
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -179.488
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: 165
Temperature: 0.950000
Total energy: -2073.614627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.614627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.614627 (E_RNA)
where:
Base-Base interactions energy: -1420.006
where: short stacking energy: -602.026
Base-Backbone interact. energy: -0.139
local terms energy: -653.469773
where:
bonds (distance) C4'-P energy: -127.416
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -141.723
flat angles P-C4'-P energy: -88.711
tors. eta vs tors. theta energy: -171.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1937.793151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.793151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.793151 (E_RNA)
where:
Base-Base interactions energy: -1301.310
where: short stacking energy: -578.131
Base-Backbone interact. energy: -0.787
local terms energy: -635.696423
where:
bonds (distance) C4'-P energy: -110.461
bonds (distance) P-C4' energy: -121.021
flat angles C4'-P-C4' energy: -140.691
flat angles P-C4'-P energy: -94.616
tors. eta vs tors. theta energy: -168.907
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: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1765.939715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.939715 (E_RNA)
where:
Base-Base interactions energy: -1198.316
where: short stacking energy: -519.358
Base-Backbone interact. energy: -2.389
local terms energy: -565.234554
where:
bonds (distance) C4'-P energy: -112.500
bonds (distance) P-C4' energy: -117.103
flat angles C4'-P-C4' energy: -126.999
flat angles P-C4'-P energy: -73.647
tors. eta vs tors. theta energy: -134.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1661.519389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.519389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.519389 (E_RNA)
where:
Base-Base interactions energy: -1081.313
where: short stacking energy: -500.657
Base-Backbone interact. energy: -1.711
local terms energy: -578.495053
where:
bonds (distance) C4'-P energy: -110.513
bonds (distance) P-C4' energy: -126.351
flat angles C4'-P-C4' energy: -115.418
flat angles P-C4'-P energy: -73.760
tors. eta vs tors. theta energy: -152.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1475.118821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.118821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.118821 (E_RNA)
where:
Base-Base interactions energy: -959.283
where: short stacking energy: -435.048
Base-Backbone interact. energy: -1.574
local terms energy: -514.261475
where:
bonds (distance) C4'-P energy: -96.657
bonds (distance) P-C4' energy: -101.749
flat angles C4'-P-C4' energy: -122.306
flat angles P-C4'-P energy: -86.902
tors. eta vs tors. theta energy: -106.648
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1169.186317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.186317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.186317 (E_RNA)
where:
Base-Base interactions energy: -747.050
where: short stacking energy: -331.252
Base-Backbone interact. energy: -3.815
local terms energy: -418.321214
where:
bonds (distance) C4'-P energy: -100.144
bonds (distance) P-C4' energy: -108.844
flat angles C4'-P-C4' energy: -93.968
flat angles P-C4'-P energy: -74.499
tors. eta vs tors. theta energy: -40.866
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -991.648951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.648951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.648951 (E_RNA)
where:
Base-Base interactions energy: -577.043
where: short stacking energy: -290.964
Base-Backbone interact. energy: -1.047
local terms energy: -413.559608
where:
bonds (distance) C4'-P energy: -90.367
bonds (distance) P-C4' energy: -120.274
flat angles C4'-P-C4' energy: -103.866
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -38.492
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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -659.406094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.406094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.406094 (E_RNA)
where:
Base-Base interactions energy: -313.263
where: short stacking energy: -209.102
Base-Backbone interact. energy: -2.544
local terms energy: -343.599126
where:
bonds (distance) C4'-P energy: -84.127
bonds (distance) P-C4' energy: -111.543
flat angles C4'-P-C4' energy: -89.712
flat angles P-C4'-P energy: -53.956
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -507.637637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.637637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.637637 (E_RNA)
where:
Base-Base interactions energy: -171.642
where: short stacking energy: -140.237
Base-Backbone interact. energy: -1.093
local terms energy: -334.902169
where:
bonds (distance) C4'-P energy: -97.689
bonds (distance) P-C4' energy: -96.656
flat angles C4'-P-C4' energy: -95.207
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2101.970486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.970486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.970486 (E_RNA)
where:
Base-Base interactions energy: -1440.092
where: short stacking energy: -605.371
Base-Backbone interact. energy: -4.305
local terms energy: -657.572809
where:
bonds (distance) C4'-P energy: -121.844
bonds (distance) P-C4' energy: -133.336
flat angles C4'-P-C4' energy: -151.693
flat angles P-C4'-P energy: -70.955
tors. eta vs tors. theta energy: -179.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2015.253628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.253628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.253628 (E_RNA)
where:
Base-Base interactions energy: -1389.428
where: short stacking energy: -600.170
Base-Backbone interact. energy: -0.566
local terms energy: -625.260097
where:
bonds (distance) C4'-P energy: -112.721
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -128.840
flat angles P-C4'-P energy: -91.202
tors. eta vs tors. theta energy: -172.565
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: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1911.090595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.090595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.090595 (E_RNA)
where:
Base-Base interactions energy: -1282.825
where: short stacking energy: -567.155
Base-Backbone interact. energy: -3.977
local terms energy: -624.288200
where:
bonds (distance) C4'-P energy: -100.259
bonds (distance) P-C4' energy: -126.339
flat angles C4'-P-C4' energy: -142.875
flat angles P-C4'-P energy: -103.152
tors. eta vs tors. theta energy: -151.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1777.994356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.994356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.994356 (E_RNA)
where:
Base-Base interactions energy: -1223.271
where: short stacking energy: -519.781
Base-Backbone interact. energy: -0.151
local terms energy: -554.572471
where:
bonds (distance) C4'-P energy: -101.787
bonds (distance) P-C4' energy: -111.286
flat angles C4'-P-C4' energy: -138.371
flat angles P-C4'-P energy: -77.712
tors. eta vs tors. theta energy: -125.417
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: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1637.366015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.366015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.366015 (E_RNA)
where:
Base-Base interactions energy: -1096.919
where: short stacking energy: -507.767
Base-Backbone interact. energy: 1.070
local terms energy: -541.516876
where:
bonds (distance) C4'-P energy: -113.883
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -121.792
flat angles P-C4'-P energy: -66.312
tors. eta vs tors. theta energy: -139.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1529.998468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.998468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.998468 (E_RNA)
where:
Base-Base interactions energy: -1010.452
where: short stacking energy: -475.927
Base-Backbone interact. energy: -0.763
local terms energy: -518.783637
where:
bonds (distance) C4'-P energy: -99.367
bonds (distance) P-C4' energy: -98.464
flat angles C4'-P-C4' energy: -128.193
flat angles P-C4'-P energy: -65.081
tors. eta vs tors. theta energy: -127.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1152.218354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.218354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.218354 (E_RNA)
where:
Base-Base interactions energy: -701.646
where: short stacking energy: -316.123
Base-Backbone interact. energy: -2.416
local terms energy: -448.156866
where:
bonds (distance) C4'-P energy: -95.659
bonds (distance) P-C4' energy: -117.558
flat angles C4'-P-C4' energy: -111.626
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -58.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -960.445079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.445079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.445079 (E_RNA)
where:
Base-Base interactions energy: -559.163
where: short stacking energy: -301.155
Base-Backbone interact. energy: -0.582
local terms energy: -400.700296
where:
bonds (distance) C4'-P energy: -99.796
bonds (distance) P-C4' energy: -100.653
flat angles C4'-P-C4' energy: -98.078
flat angles P-C4'-P energy: -59.680
tors. eta vs tors. theta energy: -42.492
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: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -661.648388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.648388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.648388 (E_RNA)
where:
Base-Base interactions energy: -314.930
where: short stacking energy: -210.580
Base-Backbone interact. energy: 1.432
local terms energy: -348.150708
where:
bonds (distance) C4'-P energy: -103.667
bonds (distance) P-C4' energy: -90.825
flat angles C4'-P-C4' energy: -102.274
flat angles P-C4'-P energy: -55.891
tors. eta vs tors. theta energy: 4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -474.197153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.197153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.197153 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -140.774
Base-Backbone interact. energy: 2.503
local terms energy: -318.941947
where:
bonds (distance) C4'-P energy: -99.931
bonds (distance) P-C4' energy: -90.867
flat angles C4'-P-C4' energy: -97.689
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: 9.186
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: 167
Temperature: 0.900000
Total energy: -2103.159777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.159777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.159777 (E_RNA)
where:
Base-Base interactions energy: -1432.301
where: short stacking energy: -613.945
Base-Backbone interact. energy: -5.447
local terms energy: -665.412036
where:
bonds (distance) C4'-P energy: -127.205
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -145.476
flat angles P-C4'-P energy: -102.211
tors. eta vs tors. theta energy: -173.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2057.983336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.983336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.983336 (E_RNA)
where:
Base-Base interactions energy: -1414.219
where: short stacking energy: -593.953
Base-Backbone interact. energy: -3.887
local terms energy: -639.877231
where:
bonds (distance) C4'-P energy: -118.257
bonds (distance) P-C4' energy: -117.202
flat angles C4'-P-C4' energy: -135.795
flat angles P-C4'-P energy: -100.843
tors. eta vs tors. theta energy: -167.780
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: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1908.446474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.446474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.446474 (E_RNA)
where:
Base-Base interactions energy: -1280.827
where: short stacking energy: -541.721
Base-Backbone interact. energy: -3.699
local terms energy: -623.920526
where:
bonds (distance) C4'-P energy: -111.276
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -131.483
flat angles P-C4'-P energy: -96.813
tors. eta vs tors. theta energy: -158.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1809.135318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.135318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.135318 (E_RNA)
where:
Base-Base interactions energy: -1216.217
where: short stacking energy: -514.227
Base-Backbone interact. energy: -4.524
local terms energy: -588.394581
where:
bonds (distance) C4'-P energy: -123.586
bonds (distance) P-C4' energy: -130.051
flat angles C4'-P-C4' energy: -133.587
flat angles P-C4'-P energy: -79.495
tors. eta vs tors. theta energy: -121.675
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: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1734.827732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.827732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.827732 (E_RNA)
where:
Base-Base interactions energy: -1145.962
where: short stacking energy: -505.574
Base-Backbone interact. energy: -2.154
local terms energy: -586.711472
where:
bonds (distance) C4'-P energy: -125.578
bonds (distance) P-C4' energy: -122.049
flat angles C4'-P-C4' energy: -128.917
flat angles P-C4'-P energy: -74.610
tors. eta vs tors. theta energy: -135.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1579.926929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.926929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.926929 (E_RNA)
where:
Base-Base interactions energy: -1038.026
where: short stacking energy: -477.699
Base-Backbone interact. energy: -2.311
local terms energy: -539.590021
where:
bonds (distance) C4'-P energy: -89.420
bonds (distance) P-C4' energy: -134.297
flat angles C4'-P-C4' energy: -107.786
flat angles P-C4'-P energy: -70.420
tors. eta vs tors. theta energy: -137.667
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1155.273218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.273218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.273218 (E_RNA)
where:
Base-Base interactions energy: -704.999
where: short stacking energy: -332.197
Base-Backbone interact. energy: 5.568
local terms energy: -455.842085
where:
bonds (distance) C4'-P energy: -102.868
bonds (distance) P-C4' energy: -114.166
flat angles C4'-P-C4' energy: -94.965
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -64.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -979.874160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.874160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.874160 (E_RNA)
where:
Base-Base interactions energy: -534.178
where: short stacking energy: -256.883
Base-Backbone interact. energy: -0.135
local terms energy: -445.561728
where:
bonds (distance) C4'-P energy: -123.686
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -103.416
flat angles P-C4'-P energy: -64.626
tors. eta vs tors. theta energy: -42.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -667.456833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.456833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.456833 (E_RNA)
where:
Base-Base interactions energy: -311.533
where: short stacking energy: -173.710
Base-Backbone interact. energy: -2.219
local terms energy: -353.704508
where:
bonds (distance) C4'-P energy: -115.313
bonds (distance) P-C4' energy: -121.722
flat angles C4'-P-C4' energy: -104.789
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: 39.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -511.695622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.695622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.695622 (E_RNA)
where:
Base-Base interactions energy: -197.499
where: short stacking energy: -148.568
Base-Backbone interact. energy: -1.842
local terms energy: -312.354789
where:
bonds (distance) C4'-P energy: -98.804
bonds (distance) P-C4' energy: -100.916
flat angles C4'-P-C4' energy: -74.295
flat angles P-C4'-P energy: -64.017
tors. eta vs tors. theta energy: 25.677
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: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2104.332653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.332653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.332653 (E_RNA)
where:
Base-Base interactions energy: -1428.445
where: short stacking energy: -643.443
Base-Backbone interact. energy: -1.895
local terms energy: -673.992690
where:
bonds (distance) C4'-P energy: -135.517
bonds (distance) P-C4' energy: -122.439
flat angles C4'-P-C4' energy: -147.170
flat angles P-C4'-P energy: -88.462
tors. eta vs tors. theta energy: -180.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2049.009553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.009553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.009553 (E_RNA)
where:
Base-Base interactions energy: -1399.242
where: short stacking energy: -586.436
Base-Backbone interact. energy: -4.709
local terms energy: -645.058795
where:
bonds (distance) C4'-P energy: -116.200
bonds (distance) P-C4' energy: -139.399
flat angles C4'-P-C4' energy: -135.456
flat angles P-C4'-P energy: -95.802
tors. eta vs tors. theta energy: -158.202
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1896.621691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.621691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.621691 (E_RNA)
where:
Base-Base interactions energy: -1279.984
where: short stacking energy: -586.946
Base-Backbone interact. energy: -0.622
local terms energy: -616.015887
where:
bonds (distance) C4'-P energy: -109.960
bonds (distance) P-C4' energy: -115.395
flat angles C4'-P-C4' energy: -138.248
flat angles P-C4'-P energy: -84.071
tors. eta vs tors. theta energy: -168.341
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: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1797.374625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.374625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.374625 (E_RNA)
where:
Base-Base interactions energy: -1218.568
where: short stacking energy: -503.165
Base-Backbone interact. energy: -0.498
local terms energy: -578.309280
where:
bonds (distance) C4'-P energy: -115.090
bonds (distance) P-C4' energy: -115.862
flat angles C4'-P-C4' energy: -132.594
flat angles P-C4'-P energy: -75.366
tors. eta vs tors. theta energy: -139.397
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: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1722.362525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.362525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.362525 (E_RNA)
where:
Base-Base interactions energy: -1142.304
where: short stacking energy: -507.492
Base-Backbone interact. energy: 1.407
local terms energy: -581.465501
where:
bonds (distance) C4'-P energy: -119.859
bonds (distance) P-C4' energy: -120.625
flat angles C4'-P-C4' energy: -119.947
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -138.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1486.419813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.419813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.419813 (E_RNA)
where:
Base-Base interactions energy: -936.983
where: short stacking energy: -450.086
Base-Backbone interact. energy: -1.075
local terms energy: -548.362214
where:
bonds (distance) C4'-P energy: -102.624
bonds (distance) P-C4' energy: -115.441
flat angles C4'-P-C4' energy: -118.832
flat angles P-C4'-P energy: -90.900
tors. eta vs tors. theta energy: -120.565
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: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1186.329077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.329077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.329077 (E_RNA)
where:
Base-Base interactions energy: -730.316
where: short stacking energy: -353.189
Base-Backbone interact. energy: -1.686
local terms energy: -454.327307
where:
bonds (distance) C4'-P energy: -100.142
bonds (distance) P-C4' energy: -104.914
flat angles C4'-P-C4' energy: -105.963
flat angles P-C4'-P energy: -72.254
tors. eta vs tors. theta energy: -71.054
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: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -960.685601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.685601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.685601 (E_RNA)
where:
Base-Base interactions energy: -530.196
where: short stacking energy: -275.751
Base-Backbone interact. energy: -0.335
local terms energy: -430.154037
where:
bonds (distance) C4'-P energy: -109.825
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -114.377
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -606.937552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.937552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.937552 (E_RNA)
where:
Base-Base interactions energy: -277.613
where: short stacking energy: -184.359
Base-Backbone interact. energy: 1.214
local terms energy: -330.538456
where:
bonds (distance) C4'-P energy: -102.940
bonds (distance) P-C4' energy: -98.883
flat angles C4'-P-C4' energy: -72.532
flat angles P-C4'-P energy: -68.576
tors. eta vs tors. theta energy: 12.391
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -477.934038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.934038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.934038 (E_RNA)
where:
Base-Base interactions energy: -158.868
where: short stacking energy: -144.869
Base-Backbone interact. energy: -2.304
local terms energy: -316.761912
where:
bonds (distance) C4'-P energy: -96.385
bonds (distance) P-C4' energy: -110.574
flat angles C4'-P-C4' energy: -88.424
flat angles P-C4'-P energy: -61.217
tors. eta vs tors. theta energy: 39.838
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: 169
Temperature: 0.900000
Total energy: -2106.329715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.329715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.329715 (E_RNA)
where:
Base-Base interactions energy: -1433.104
where: short stacking energy: -617.610
Base-Backbone interact. energy: -4.011
local terms energy: -669.215490
where:
bonds (distance) C4'-P energy: -134.335
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -143.184
flat angles P-C4'-P energy: -93.415
tors. eta vs tors. theta energy: -179.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2061.076378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.076378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.076378 (E_RNA)
where:
Base-Base interactions energy: -1437.840
where: short stacking energy: -587.521
Base-Backbone interact. energy: 8.285
local terms energy: -631.522126
where:
bonds (distance) C4'-P energy: -120.494
bonds (distance) P-C4' energy: -117.278
flat angles C4'-P-C4' energy: -141.328
flat angles P-C4'-P energy: -94.543
tors. eta vs tors. theta energy: -157.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1906.413161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.413161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.413161 (E_RNA)
where:
Base-Base interactions energy: -1299.821
where: short stacking energy: -539.698
Base-Backbone interact. energy: -3.518
local terms energy: -603.073875
where:
bonds (distance) C4'-P energy: -123.841
bonds (distance) P-C4' energy: -116.510
flat angles C4'-P-C4' energy: -124.427
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -150.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1780.596785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.596785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.596785 (E_RNA)
where:
Base-Base interactions energy: -1214.977
where: short stacking energy: -524.607
Base-Backbone interact. energy: -2.471
local terms energy: -563.148959
where:
bonds (distance) C4'-P energy: -123.046
bonds (distance) P-C4' energy: -108.676
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -65.949
tors. eta vs tors. theta energy: -129.983
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: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1662.048520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.048520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.048520 (E_RNA)
where:
Base-Base interactions energy: -1101.153
where: short stacking energy: -468.093
Base-Backbone interact. energy: -0.502
local terms energy: -560.392723
where:
bonds (distance) C4'-P energy: -112.940
bonds (distance) P-C4' energy: -125.790
flat angles C4'-P-C4' energy: -122.219
flat angles P-C4'-P energy: -71.488
tors. eta vs tors. theta energy: -127.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1544.031265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.031265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.031265 (E_RNA)
where:
Base-Base interactions energy: -1014.923
where: short stacking energy: -467.617
Base-Backbone interact. energy: -2.071
local terms energy: -527.037399
where:
bonds (distance) C4'-P energy: -99.826
bonds (distance) P-C4' energy: -113.084
flat angles C4'-P-C4' energy: -123.061
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -116.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1221.062450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.062450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.062450 (E_RNA)
where:
Base-Base interactions energy: -748.038
where: short stacking energy: -351.681
Base-Backbone interact. energy: -2.712
local terms energy: -470.312130
where:
bonds (distance) C4'-P energy: -112.113
bonds (distance) P-C4' energy: -118.978
flat angles C4'-P-C4' energy: -111.005
flat angles P-C4'-P energy: -61.539
tors. eta vs tors. theta energy: -66.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -943.802372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.802372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.802372 (E_RNA)
where:
Base-Base interactions energy: -528.726
where: short stacking energy: -262.522
Base-Backbone interact. energy: -1.003
local terms energy: -414.073023
where:
bonds (distance) C4'-P energy: -93.430
bonds (distance) P-C4' energy: -112.816
flat angles C4'-P-C4' energy: -102.642
flat angles P-C4'-P energy: -77.297
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -643.556680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.556680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.556680 (E_RNA)
where:
Base-Base interactions energy: -297.077
where: short stacking energy: -205.014
Base-Backbone interact. energy: 0.673
local terms energy: -347.152539
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -103.815
flat angles C4'-P-C4' energy: -86.631
flat angles P-C4'-P energy: -58.299
tors. eta vs tors. theta energy: 4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -540.038724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.038724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.038724 (E_RNA)
where:
Base-Base interactions energy: -215.000
where: short stacking energy: -126.744
Base-Backbone interact. energy: -0.532
local terms energy: -324.506373
where:
bonds (distance) C4'-P energy: -104.448
bonds (distance) P-C4' energy: -108.104
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: 27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2120.021174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.021174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.021174 (E_RNA)
where:
Base-Base interactions energy: -1436.351
where: short stacking energy: -616.721
Base-Backbone interact. energy: 1.073
local terms energy: -684.743083
where:
bonds (distance) C4'-P energy: -137.626
bonds (distance) P-C4' energy: -137.703
flat angles C4'-P-C4' energy: -137.794
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -182.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2048.196984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.196984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.196984 (E_RNA)
where:
Base-Base interactions energy: -1410.992
where: short stacking energy: -578.186
Base-Backbone interact. energy: -5.753
local terms energy: -631.451381
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -130.526
flat angles C4'-P-C4' energy: -141.019
flat angles P-C4'-P energy: -93.951
tors. eta vs tors. theta energy: -158.230
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1870.431995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.431995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.431995 (E_RNA)
where:
Base-Base interactions energy: -1254.502
where: short stacking energy: -554.948
Base-Backbone interact. energy: -2.734
local terms energy: -613.196094
where:
bonds (distance) C4'-P energy: -108.940
bonds (distance) P-C4' energy: -129.855
flat angles C4'-P-C4' energy: -129.177
flat angles P-C4'-P energy: -91.905
tors. eta vs tors. theta energy: -153.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1864.137368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.137368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.137368 (E_RNA)
where:
Base-Base interactions energy: -1269.734
where: short stacking energy: -543.408
Base-Backbone interact. energy: -1.328
local terms energy: -593.075620
where:
bonds (distance) C4'-P energy: -114.106
bonds (distance) P-C4' energy: -108.437
flat angles C4'-P-C4' energy: -140.618
flat angles P-C4'-P energy: -89.186
tors. eta vs tors. theta energy: -140.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1615.820530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.820530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.820530 (E_RNA)
where:
Base-Base interactions energy: -1034.402
where: short stacking energy: -437.051
Base-Backbone interact. energy: -2.458
local terms energy: -578.960748
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -134.649
flat angles C4'-P-C4' energy: -130.781
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -117.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1581.034688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.034688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.034688 (E_RNA)
where:
Base-Base interactions energy: -1056.973
where: short stacking energy: -458.326
Base-Backbone interact. energy: -0.467
local terms energy: -523.594978
where:
bonds (distance) C4'-P energy: -102.998
bonds (distance) P-C4' energy: -117.152
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -61.028
tors. eta vs tors. theta energy: -124.812
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: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1229.164048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.164048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.164048 (E_RNA)
where:
Base-Base interactions energy: -747.929
where: short stacking energy: -362.556
Base-Backbone interact. energy: -3.538
local terms energy: -477.697227
where:
bonds (distance) C4'-P energy: -102.355
bonds (distance) P-C4' energy: -106.246
flat angles C4'-P-C4' energy: -120.685
flat angles P-C4'-P energy: -79.115
tors. eta vs tors. theta energy: -69.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -913.141946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.141946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.141946 (E_RNA)
where:
Base-Base interactions energy: -496.738
where: short stacking energy: -286.196
Base-Backbone interact. energy: 0.702
local terms energy: -417.105304
where:
bonds (distance) C4'-P energy: -118.646
bonds (distance) P-C4' energy: -101.860
flat angles C4'-P-C4' energy: -100.752
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -673.306878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.306878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.306878 (E_RNA)
where:
Base-Base interactions energy: -338.175
where: short stacking energy: -210.913
Base-Backbone interact. energy: -4.900
local terms energy: -330.231361
where:
bonds (distance) C4'-P energy: -87.922
bonds (distance) P-C4' energy: -121.618
flat angles C4'-P-C4' energy: -55.574
flat angles P-C4'-P energy: -68.308
tors. eta vs tors. theta energy: 3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -580.427560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.427560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.427560 (E_RNA)
where:
Base-Base interactions energy: -278.881
where: short stacking energy: -181.411
Base-Backbone interact. energy: 3.296
local terms energy: -304.842376
where:
bonds (distance) C4'-P energy: -83.935
bonds (distance) P-C4' energy: -89.738
flat angles C4'-P-C4' energy: -91.941
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: 3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2120.514110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.514110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.514110 (E_RNA)
where:
Base-Base interactions energy: -1484.204
where: short stacking energy: -662.500
Base-Backbone interact. energy: -0.544
local terms energy: -635.766075
where:
bonds (distance) C4'-P energy: -112.888
bonds (distance) P-C4' energy: -119.072
flat angles C4'-P-C4' energy: -137.919
flat angles P-C4'-P energy: -82.541
tors. eta vs tors. theta energy: -183.346
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2043.530310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.530310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.530310 (E_RNA)
where:
Base-Base interactions energy: -1401.916
where: short stacking energy: -555.750
Base-Backbone interact. energy: -7.074
local terms energy: -634.540755
where:
bonds (distance) C4'-P energy: -135.368
bonds (distance) P-C4' energy: -120.165
flat angles C4'-P-C4' energy: -141.413
flat angles P-C4'-P energy: -80.824
tors. eta vs tors. theta energy: -156.770
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: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1907.166025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.166025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.166025 (E_RNA)
where:
Base-Base interactions energy: -1287.134
where: short stacking energy: -552.272
Base-Backbone interact. energy: -2.072
local terms energy: -617.960836
where:
bonds (distance) C4'-P energy: -115.371
bonds (distance) P-C4' energy: -111.466
flat angles C4'-P-C4' energy: -149.908
flat angles P-C4'-P energy: -93.845
tors. eta vs tors. theta energy: -147.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1827.302216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.302216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.302216 (E_RNA)
where:
Base-Base interactions energy: -1245.916
where: short stacking energy: -501.396
Base-Backbone interact. energy: 0.164
local terms energy: -581.549985
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -127.657
flat angles C4'-P-C4' energy: -129.514
flat angles P-C4'-P energy: -87.425
tors. eta vs tors. theta energy: -132.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1551.599008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.599008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.599008 (E_RNA)
where:
Base-Base interactions energy: -993.111
where: short stacking energy: -456.753
Base-Backbone interact. energy: -1.146
local terms energy: -557.342018
where:
bonds (distance) C4'-P energy: -117.787
bonds (distance) P-C4' energy: -116.589
flat angles C4'-P-C4' energy: -127.933
flat angles P-C4'-P energy: -79.620
tors. eta vs tors. theta energy: -115.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1566.964768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.964768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.964768 (E_RNA)
where:
Base-Base interactions energy: -1032.836
where: short stacking energy: -454.773
Base-Backbone interact. energy: -0.047
local terms energy: -534.081131
where:
bonds (distance) C4'-P energy: -94.464
bonds (distance) P-C4' energy: -102.740
flat angles C4'-P-C4' energy: -106.369
flat angles P-C4'-P energy: -92.544
tors. eta vs tors. theta energy: -137.964
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: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1232.076946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.076946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.076946 (E_RNA)
where:
Base-Base interactions energy: -776.117
where: short stacking energy: -355.702
Base-Backbone interact. energy: -2.899
local terms energy: -453.060057
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -113.782
flat angles P-C4'-P energy: -78.736
tors. eta vs tors. theta energy: -60.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -878.651263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.651263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.651263 (E_RNA)
where:
Base-Base interactions energy: -485.356
where: short stacking energy: -271.051
Base-Backbone interact. energy: -2.305
local terms energy: -390.990035
where:
bonds (distance) C4'-P energy: -101.144
bonds (distance) P-C4' energy: -92.455
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -69.463
tors. eta vs tors. theta energy: -32.499
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: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -695.173004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.173004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.173004 (E_RNA)
where:
Base-Base interactions energy: -336.006
where: short stacking energy: -164.718
Base-Backbone interact. energy: -6.982
local terms energy: -352.184828
where:
bonds (distance) C4'-P energy: -104.373
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -106.052
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: 9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -560.724704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.724704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.724704 (E_RNA)
where:
Base-Base interactions energy: -235.988
where: short stacking energy: -167.109
Base-Backbone interact. energy: -1.355
local terms energy: -323.381308
where:
bonds (distance) C4'-P energy: -94.744
bonds (distance) P-C4' energy: -88.114
flat angles C4'-P-C4' energy: -101.927
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: 9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2109.476250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.476250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.476250 (E_RNA)
where:
Base-Base interactions energy: -1437.175
where: short stacking energy: -631.731
Base-Backbone interact. energy: 2.566
local terms energy: -674.867154
where:
bonds (distance) C4'-P energy: -124.869
bonds (distance) P-C4' energy: -116.127
flat angles C4'-P-C4' energy: -144.939
flat angles P-C4'-P energy: -105.492
tors. eta vs tors. theta energy: -183.441
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: 172
Temperature: 0.950000
Total energy: -2056.659492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.659492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.659492 (E_RNA)
where:
Base-Base interactions energy: -1430.065
where: short stacking energy: -594.147
Base-Backbone interact. energy: -0.273
local terms energy: -626.321440
where:
bonds (distance) C4'-P energy: -120.930
bonds (distance) P-C4' energy: -118.739
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -92.850
tors. eta vs tors. theta energy: -158.915
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1915.519856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.519856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.519856 (E_RNA)
where:
Base-Base interactions energy: -1308.230
where: short stacking energy: -538.120
Base-Backbone interact. energy: -5.078
local terms energy: -602.212713
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -125.780
flat angles P-C4'-P energy: -99.497
tors. eta vs tors. theta energy: -150.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1777.145704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.145704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.145704 (E_RNA)
where:
Base-Base interactions energy: -1234.417
where: short stacking energy: -533.166
Base-Backbone interact. energy: -0.002
local terms energy: -542.727063
where:
bonds (distance) C4'-P energy: -119.959
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -119.115
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -119.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1664.791880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.791880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.791880 (E_RNA)
where:
Base-Base interactions energy: -1076.552
where: short stacking energy: -514.652
Base-Backbone interact. energy: -1.750
local terms energy: -586.490439
where:
bonds (distance) C4'-P energy: -103.084
bonds (distance) P-C4' energy: -121.104
flat angles C4'-P-C4' energy: -133.567
flat angles P-C4'-P energy: -81.133
tors. eta vs tors. theta energy: -147.603
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: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1491.325112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.325112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.325112 (E_RNA)
where:
Base-Base interactions energy: -973.011
where: short stacking energy: -444.079
Base-Backbone interact. energy: -1.826
local terms energy: -516.488008
where:
bonds (distance) C4'-P energy: -103.045
bonds (distance) P-C4' energy: -113.173
flat angles C4'-P-C4' energy: -117.883
flat angles P-C4'-P energy: -70.006
tors. eta vs tors. theta energy: -112.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1237.315091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.315091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.315091 (E_RNA)
where:
Base-Base interactions energy: -772.596
where: short stacking energy: -352.470
Base-Backbone interact. energy: -1.246
local terms energy: -463.473414
where:
bonds (distance) C4'-P energy: -120.604
bonds (distance) P-C4' energy: -111.447
flat angles C4'-P-C4' energy: -100.964
flat angles P-C4'-P energy: -61.769
tors. eta vs tors. theta energy: -68.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -880.008589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.008589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.008589 (E_RNA)
where:
Base-Base interactions energy: -484.241
where: short stacking energy: -275.866
Base-Backbone interact. energy: -2.382
local terms energy: -393.386118
where:
bonds (distance) C4'-P energy: -124.703
bonds (distance) P-C4' energy: -107.522
flat angles C4'-P-C4' energy: -96.606
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -607.590936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.590936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.590936 (E_RNA)
where:
Base-Base interactions energy: -247.858
where: short stacking energy: -157.072
Base-Backbone interact. energy: -1.545
local terms energy: -358.188781
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -113.716
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -62.807
tors. eta vs tors. theta energy: 9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -620.606611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.606611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.606611 (E_RNA)
where:
Base-Base interactions energy: -332.704
where: short stacking energy: -204.286
Base-Backbone interact. energy: -1.958
local terms energy: -285.945038
where:
bonds (distance) C4'-P energy: -96.442
bonds (distance) P-C4' energy: -92.518
flat angles C4'-P-C4' energy: -85.955
flat angles P-C4'-P energy: -15.865
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: 173
Temperature: 0.900000
Total energy: -2122.862693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.862693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.862693 (E_RNA)
where:
Base-Base interactions energy: -1414.350
where: short stacking energy: -615.049
Base-Backbone interact. energy: -2.522
local terms energy: -705.990541
where:
bonds (distance) C4'-P energy: -129.242
bonds (distance) P-C4' energy: -144.543
flat angles C4'-P-C4' energy: -145.574
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -183.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2085.885312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.885312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.885312 (E_RNA)
where:
Base-Base interactions energy: -1470.983
where: short stacking energy: -631.855
Base-Backbone interact. energy: 0.260
local terms energy: -615.161905
where:
bonds (distance) C4'-P energy: -116.833
bonds (distance) P-C4' energy: -112.980
flat angles C4'-P-C4' energy: -140.456
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -171.392
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: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1936.026177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.026177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.026177 (E_RNA)
where:
Base-Base interactions energy: -1337.094
where: short stacking energy: -569.982
Base-Backbone interact. energy: -0.909
local terms energy: -598.023949
where:
bonds (distance) C4'-P energy: -117.756
bonds (distance) P-C4' energy: -109.217
flat angles C4'-P-C4' energy: -128.306
flat angles P-C4'-P energy: -83.581
tors. eta vs tors. theta energy: -159.163
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1760.468614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.468614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.468614 (E_RNA)
where:
Base-Base interactions energy: -1181.491
where: short stacking energy: -498.030
Base-Backbone interact. energy: -4.409
local terms energy: -574.567971
where:
bonds (distance) C4'-P energy: -115.936
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -126.409
flat angles P-C4'-P energy: -87.449
tors. eta vs tors. theta energy: -128.590
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: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1644.643081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.643081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.643081 (E_RNA)
where:
Base-Base interactions energy: -1083.270
where: short stacking energy: -499.154
Base-Backbone interact. energy: 0.859
local terms energy: -562.232253
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -109.098
flat angles C4'-P-C4' energy: -122.006
flat angles P-C4'-P energy: -67.346
tors. eta vs tors. theta energy: -148.019
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: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1547.143386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.143386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.143386 (E_RNA)
where:
Base-Base interactions energy: -1029.567
where: short stacking energy: -454.513
Base-Backbone interact. energy: -2.511
local terms energy: -515.065287
where:
bonds (distance) C4'-P energy: -93.369
bonds (distance) P-C4' energy: -113.569
flat angles C4'-P-C4' energy: -115.583
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -119.538
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: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1171.405670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.405670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.405670 (E_RNA)
where:
Base-Base interactions energy: -700.679
where: short stacking energy: -314.830
Base-Backbone interact. energy: -3.338
local terms energy: -467.388737
where:
bonds (distance) C4'-P energy: -128.041
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -119.496
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -54.069
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: 173
Temperature: 1.250000
Total energy: -892.554207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.554207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.554207 (E_RNA)
where:
Base-Base interactions energy: -491.613
where: short stacking energy: -274.334
Base-Backbone interact. energy: -0.111
local terms energy: -400.830271
where:
bonds (distance) C4'-P energy: -99.715
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -100.099
flat angles P-C4'-P energy: -72.201
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -677.460194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.460194 (E_RNA)
where:
Base-Base interactions energy: -332.277
where: short stacking energy: -211.049
Base-Backbone interact. energy: 1.619
local terms energy: -346.801845
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -108.063
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -526.583413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.583413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.583413 (E_RNA)
where:
Base-Base interactions energy: -220.638
where: short stacking energy: -142.402
Base-Backbone interact. energy: -1.869
local terms energy: -304.076060
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -60.474
flat angles P-C4'-P energy: -62.910
tors. eta vs tors. theta energy: 23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2123.612866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.612866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.612866 (E_RNA)
where:
Base-Base interactions energy: -1461.758
where: short stacking energy: -622.186
Base-Backbone interact. energy: -4.569
local terms energy: -657.286279
where:
bonds (distance) C4'-P energy: -114.514
bonds (distance) P-C4' energy: -120.062
flat angles C4'-P-C4' energy: -143.040
flat angles P-C4'-P energy: -100.270
tors. eta vs tors. theta energy: -179.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2067.265807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.265807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.265807 (E_RNA)
where:
Base-Base interactions energy: -1437.108
where: short stacking energy: -595.742
Base-Backbone interact. energy: -3.279
local terms energy: -626.878573
where:
bonds (distance) C4'-P energy: -114.691
bonds (distance) P-C4' energy: -119.730
flat angles C4'-P-C4' energy: -140.734
flat angles P-C4'-P energy: -86.239
tors. eta vs tors. theta energy: -165.485
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1906.153564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.153564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.153564 (E_RNA)
where:
Base-Base interactions energy: -1304.330
where: short stacking energy: -557.861
Base-Backbone interact. energy: -3.285
local terms energy: -598.538496
where:
bonds (distance) C4'-P energy: -104.960
bonds (distance) P-C4' energy: -125.137
flat angles C4'-P-C4' energy: -132.802
flat angles P-C4'-P energy: -92.546
tors. eta vs tors. theta energy: -143.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1760.489296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.489296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.489296 (E_RNA)
where:
Base-Base interactions energy: -1168.651
where: short stacking energy: -474.456
Base-Backbone interact. energy: -5.310
local terms energy: -586.528910
where:
bonds (distance) C4'-P energy: -116.987
bonds (distance) P-C4' energy: -122.930
flat angles C4'-P-C4' energy: -128.075
flat angles P-C4'-P energy: -94.863
tors. eta vs tors. theta energy: -123.675
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: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1663.018193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.018193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.018193 (E_RNA)
where:
Base-Base interactions energy: -1084.885
where: short stacking energy: -487.324
Base-Backbone interact. energy: -1.490
local terms energy: -576.643062
where:
bonds (distance) C4'-P energy: -102.360
bonds (distance) P-C4' energy: -119.579
flat angles C4'-P-C4' energy: -136.818
flat angles P-C4'-P energy: -76.894
tors. eta vs tors. theta energy: -140.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1564.307343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.307343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.307343 (E_RNA)
where:
Base-Base interactions energy: -1008.328
where: short stacking energy: -475.130
Base-Backbone interact. energy: -1.796
local terms energy: -554.183237
where:
bonds (distance) C4'-P energy: -123.355
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -116.288
flat angles P-C4'-P energy: -73.899
tors. eta vs tors. theta energy: -120.322
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: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1207.442306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.442306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.442306 (E_RNA)
where:
Base-Base interactions energy: -714.995
where: short stacking energy: -365.210
Base-Backbone interact. energy: -3.579
local terms energy: -488.868735
where:
bonds (distance) C4'-P energy: -101.864
bonds (distance) P-C4' energy: -127.738
flat angles C4'-P-C4' energy: -114.642
flat angles P-C4'-P energy: -76.143
tors. eta vs tors. theta energy: -68.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -894.099558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.099558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.099558 (E_RNA)
where:
Base-Base interactions energy: -477.917
where: short stacking energy: -259.086
Base-Backbone interact. energy: 2.914
local terms energy: -419.096523
where:
bonds (distance) C4'-P energy: -119.022
bonds (distance) P-C4' energy: -114.046
flat angles C4'-P-C4' energy: -104.194
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -653.559564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.559564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.559564 (E_RNA)
where:
Base-Base interactions energy: -302.287
where: short stacking energy: -197.795
Base-Backbone interact. energy: 2.791
local terms energy: -354.063204
where:
bonds (distance) C4'-P energy: -88.034
bonds (distance) P-C4' energy: -106.772
flat angles C4'-P-C4' energy: -99.137
flat angles P-C4'-P energy: -60.363
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -517.962289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.962289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.962289 (E_RNA)
where:
Base-Base interactions energy: -211.085
where: short stacking energy: -162.251
Base-Backbone interact. energy: 0.936
local terms energy: -307.812864
where:
bonds (distance) C4'-P energy: -90.060
bonds (distance) P-C4' energy: -101.570
flat angles C4'-P-C4' energy: -76.962
flat angles P-C4'-P energy: -48.876
tors. eta vs tors. theta energy: 9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2139.860779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.860779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.860779 (E_RNA)
where:
Base-Base interactions energy: -1455.869
where: short stacking energy: -611.158
Base-Backbone interact. energy: -6.100
local terms energy: -677.891309
where:
bonds (distance) C4'-P energy: -126.017
bonds (distance) P-C4' energy: -132.818
flat angles C4'-P-C4' energy: -139.403
flat angles P-C4'-P energy: -92.475
tors. eta vs tors. theta energy: -187.177
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: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2052.528282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.528282 (E_RNA)
where:
Base-Base interactions energy: -1407.158
where: short stacking energy: -584.680
Base-Backbone interact. energy: -4.247
local terms energy: -641.123408
where:
bonds (distance) C4'-P energy: -135.908
bonds (distance) P-C4' energy: -120.303
flat angles C4'-P-C4' energy: -134.463
flat angles P-C4'-P energy: -81.307
tors. eta vs tors. theta energy: -169.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1924.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.619139 (E_RNA)
where:
Base-Base interactions energy: -1300.805
where: short stacking energy: -545.298
Base-Backbone interact. energy: -6.568
local terms energy: -617.246478
where:
bonds (distance) C4'-P energy: -115.291
bonds (distance) P-C4' energy: -123.630
flat angles C4'-P-C4' energy: -137.648
flat angles P-C4'-P energy: -95.766
tors. eta vs tors. theta energy: -144.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1780.067885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.067885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.067885 (E_RNA)
where:
Base-Base interactions energy: -1197.423
where: short stacking energy: -519.108
Base-Backbone interact. energy: -2.976
local terms energy: -579.668901
where:
bonds (distance) C4'-P energy: -118.461
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -120.945
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -135.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1689.243185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.243185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.243185 (E_RNA)
where:
Base-Base interactions energy: -1132.307
where: short stacking energy: -511.047
Base-Backbone interact. energy: -1.182
local terms energy: -555.754786
where:
bonds (distance) C4'-P energy: -104.275
bonds (distance) P-C4' energy: -106.723
flat angles C4'-P-C4' energy: -117.192
flat angles P-C4'-P energy: -84.500
tors. eta vs tors. theta energy: -143.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1661.722045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.722045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.722045 (E_RNA)
where:
Base-Base interactions energy: -1069.865
where: short stacking energy: -512.304
Base-Backbone interact. energy: 1.740
local terms energy: -593.596949
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -124.951
flat angles C4'-P-C4' energy: -128.622
flat angles P-C4'-P energy: -67.557
tors. eta vs tors. theta energy: -149.883
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1267.414915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.414915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.414915 (E_RNA)
where:
Base-Base interactions energy: -762.186
where: short stacking energy: -331.214
Base-Backbone interact. energy: 2.911
local terms energy: -508.140006
where:
bonds (distance) C4'-P energy: -116.114
bonds (distance) P-C4' energy: -127.913
flat angles C4'-P-C4' energy: -116.417
flat angles P-C4'-P energy: -65.443
tors. eta vs tors. theta energy: -82.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -990.053350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.053350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.053350 (E_RNA)
where:
Base-Base interactions energy: -562.867
where: short stacking energy: -298.733
Base-Backbone interact. energy: -2.350
local terms energy: -424.836236
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -114.386
flat angles C4'-P-C4' energy: -94.063
flat angles P-C4'-P energy: -65.804
tors. eta vs tors. theta energy: -38.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -692.120761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.120761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.120761 (E_RNA)
where:
Base-Base interactions energy: -351.142
where: short stacking energy: -231.449
Base-Backbone interact. energy: 2.015
local terms energy: -342.993727
where:
bonds (distance) C4'-P energy: -78.030
bonds (distance) P-C4' energy: -100.134
flat angles C4'-P-C4' energy: -104.961
flat angles P-C4'-P energy: -59.312
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -507.571026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.571026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.571026 (E_RNA)
where:
Base-Base interactions energy: -201.435
where: short stacking energy: -157.890
Base-Backbone interact. energy: 3.884
local terms energy: -310.020635
where:
bonds (distance) C4'-P energy: -86.198
bonds (distance) P-C4' energy: -104.706
flat angles C4'-P-C4' energy: -94.833
flat angles P-C4'-P energy: -51.041
tors. eta vs tors. theta energy: 26.758
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: 176
Temperature: 0.900000
Total energy: -2139.707553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.707553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.707553 (E_RNA)
where:
Base-Base interactions energy: -1487.459
where: short stacking energy: -637.883
Base-Backbone interact. energy: -0.591
local terms energy: -651.657685
where:
bonds (distance) C4'-P energy: -124.657
bonds (distance) P-C4' energy: -121.007
flat angles C4'-P-C4' energy: -145.203
flat angles P-C4'-P energy: -79.785
tors. eta vs tors. theta energy: -181.005
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: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2069.047334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.047334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.047334 (E_RNA)
where:
Base-Base interactions energy: -1424.928
where: short stacking energy: -593.101
Base-Backbone interact. energy: -5.131
local terms energy: -638.988109
where:
bonds (distance) C4'-P energy: -123.442
bonds (distance) P-C4' energy: -125.161
flat angles C4'-P-C4' energy: -136.637
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -165.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1935.674122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.674122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.674122 (E_RNA)
where:
Base-Base interactions energy: -1327.480
where: short stacking energy: -547.745
Base-Backbone interact. energy: -2.852
local terms energy: -605.341631
where:
bonds (distance) C4'-P energy: -116.934
bonds (distance) P-C4' energy: -117.576
flat angles C4'-P-C4' energy: -135.268
flat angles P-C4'-P energy: -78.071
tors. eta vs tors. theta energy: -157.493
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: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1736.767599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.767599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.767599 (E_RNA)
where:
Base-Base interactions energy: -1190.710
where: short stacking energy: -489.742
Base-Backbone interact. energy: -2.142
local terms energy: -543.915658
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -105.309
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -86.803
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: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1724.482271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.482271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.482271 (E_RNA)
where:
Base-Base interactions energy: -1152.573
where: short stacking energy: -527.498
Base-Backbone interact. energy: 1.305
local terms energy: -573.214168
where:
bonds (distance) C4'-P energy: -118.117
bonds (distance) P-C4' energy: -111.184
flat angles C4'-P-C4' energy: -122.524
flat angles P-C4'-P energy: -82.139
tors. eta vs tors. theta energy: -139.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1604.094646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.094646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.094646 (E_RNA)
where:
Base-Base interactions energy: -1073.373
where: short stacking energy: -475.347
Base-Backbone interact. energy: -1.972
local terms energy: -528.749316
where:
bonds (distance) C4'-P energy: -107.835
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -103.623
flat angles P-C4'-P energy: -56.320
tors. eta vs tors. theta energy: -137.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1227.306989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.306989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.306989 (E_RNA)
where:
Base-Base interactions energy: -761.620
where: short stacking energy: -356.573
Base-Backbone interact. energy: 0.702
local terms energy: -466.388799
where:
bonds (distance) C4'-P energy: -107.452
bonds (distance) P-C4' energy: -115.728
flat angles C4'-P-C4' energy: -112.419
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -67.823
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: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -944.174112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.174112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.174112 (E_RNA)
where:
Base-Base interactions energy: -545.655
where: short stacking energy: -297.091
Base-Backbone interact. energy: 3.410
local terms energy: -401.929235
where:
bonds (distance) C4'-P energy: -102.231
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -57.028
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: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -661.316647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.316647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.316647 (E_RNA)
where:
Base-Base interactions energy: -325.858
where: short stacking energy: -209.622
Base-Backbone interact. energy: 4.655
local terms energy: -340.112987
where:
bonds (distance) C4'-P energy: -91.402
bonds (distance) P-C4' energy: -107.966
flat angles C4'-P-C4' energy: -100.522
flat angles P-C4'-P energy: -53.364
tors. eta vs tors. theta energy: 13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -545.073566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.073566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.073566 (E_RNA)
where:
Base-Base interactions energy: -255.672
where: short stacking energy: -140.097
Base-Backbone interact. energy: 5.432
local terms energy: -294.834061
where:
bonds (distance) C4'-P energy: -113.325
bonds (distance) P-C4' energy: -82.616
flat angles C4'-P-C4' energy: -84.912
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: 32.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2142.220775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.220775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.220775 (E_RNA)
where:
Base-Base interactions energy: -1463.987
where: short stacking energy: -656.589
Base-Backbone interact. energy: 3.790
local terms energy: -682.024170
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -117.189
flat angles C4'-P-C4' energy: -151.244
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -187.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2070.349484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.349484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.349484 (E_RNA)
where:
Base-Base interactions energy: -1426.715
where: short stacking energy: -585.487
Base-Backbone interact. energy: 0.465
local terms energy: -644.100141
where:
bonds (distance) C4'-P energy: -123.596
bonds (distance) P-C4' energy: -127.352
flat angles C4'-P-C4' energy: -151.392
flat angles P-C4'-P energy: -81.613
tors. eta vs tors. theta energy: -160.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1919.298360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.298360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.298360 (E_RNA)
where:
Base-Base interactions energy: -1303.768
where: short stacking energy: -550.348
Base-Backbone interact. energy: -0.074
local terms energy: -615.456323
where:
bonds (distance) C4'-P energy: -122.171
bonds (distance) P-C4' energy: -132.595
flat angles C4'-P-C4' energy: -132.096
flat angles P-C4'-P energy: -80.957
tors. eta vs tors. theta energy: -147.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1760.493867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.493867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.493867 (E_RNA)
where:
Base-Base interactions energy: -1194.027
where: short stacking energy: -551.708
Base-Backbone interact. energy: 6.694
local terms energy: -573.160944
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -120.554
flat angles C4'-P-C4' energy: -113.187
flat angles P-C4'-P energy: -67.081
tors. eta vs tors. theta energy: -166.164
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: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1726.014882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.014882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.014882 (E_RNA)
where:
Base-Base interactions energy: -1183.821
where: short stacking energy: -503.424
Base-Backbone interact. energy: 2.228
local terms energy: -544.421820
where:
bonds (distance) C4'-P energy: -99.153
bonds (distance) P-C4' energy: -118.639
flat angles C4'-P-C4' energy: -128.464
flat angles P-C4'-P energy: -79.682
tors. eta vs tors. theta energy: -118.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1583.348057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.348057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.348057 (E_RNA)
where:
Base-Base interactions energy: -1055.168
where: short stacking energy: -489.334
Base-Backbone interact. energy: -3.161
local terms energy: -525.019043
where:
bonds (distance) C4'-P energy: -96.069
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -119.884
flat angles P-C4'-P energy: -82.292
tors. eta vs tors. theta energy: -123.564
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: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1286.463368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.463368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.463368 (E_RNA)
where:
Base-Base interactions energy: -811.040
where: short stacking energy: -359.464
Base-Backbone interact. energy: -3.121
local terms energy: -472.302018
where:
bonds (distance) C4'-P energy: -97.659
bonds (distance) P-C4' energy: -113.041
flat angles C4'-P-C4' energy: -116.694
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -75.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -907.378097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.378097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.378097 (E_RNA)
where:
Base-Base interactions energy: -522.211
where: short stacking energy: -244.884
Base-Backbone interact. energy: -0.188
local terms energy: -384.979391
where:
bonds (distance) C4'-P energy: -106.973
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -95.873
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -663.693401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.693401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.693401 (E_RNA)
where:
Base-Base interactions energy: -307.175
where: short stacking energy: -194.587
Base-Backbone interact. energy: 1.905
local terms energy: -358.424266
where:
bonds (distance) C4'-P energy: -105.905
bonds (distance) P-C4' energy: -96.919
flat angles C4'-P-C4' energy: -100.455
flat angles P-C4'-P energy: -53.084
tors. eta vs tors. theta energy: -2.063
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: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -566.847106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.847106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.847106 (E_RNA)
where:
Base-Base interactions energy: -224.388
where: short stacking energy: -145.505
Base-Backbone interact. energy: -0.524
local terms energy: -341.935060
where:
bonds (distance) C4'-P energy: -99.711
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -90.871
flat angles P-C4'-P energy: -58.434
tors. eta vs tors. theta energy: 11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2122.819280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.819280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.819280 (E_RNA)
where:
Base-Base interactions energy: -1468.188
where: short stacking energy: -618.960
Base-Backbone interact. energy: -0.962
local terms energy: -653.669658
where:
bonds (distance) C4'-P energy: -123.462
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -143.427
flat angles P-C4'-P energy: -95.975
tors. eta vs tors. theta energy: -170.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2116.610152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.610152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.610152 (E_RNA)
where:
Base-Base interactions energy: -1455.573
where: short stacking energy: -570.400
Base-Backbone interact. energy: -1.385
local terms energy: -659.651727
where:
bonds (distance) C4'-P energy: -131.346
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -131.379
flat angles P-C4'-P energy: -87.941
tors. eta vs tors. theta energy: -178.197
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: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1956.799872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.799872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.799872 (E_RNA)
where:
Base-Base interactions energy: -1315.620
where: short stacking energy: -536.125
Base-Backbone interact. energy: -5.083
local terms energy: -636.096586
where:
bonds (distance) C4'-P energy: -129.188
bonds (distance) P-C4' energy: -125.271
flat angles C4'-P-C4' energy: -135.095
flat angles P-C4'-P energy: -97.655
tors. eta vs tors. theta energy: -148.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1758.485780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.485780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.485780 (E_RNA)
where:
Base-Base interactions energy: -1175.587
where: short stacking energy: -528.719
Base-Backbone interact. energy: 6.491
local terms energy: -589.390351
where:
bonds (distance) C4'-P energy: -120.296
bonds (distance) P-C4' energy: -108.891
flat angles C4'-P-C4' energy: -126.670
flat angles P-C4'-P energy: -81.704
tors. eta vs tors. theta energy: -151.829
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: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1663.052797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.052797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.052797 (E_RNA)
where:
Base-Base interactions energy: -1091.103
where: short stacking energy: -481.984
Base-Backbone interact. energy: -1.884
local terms energy: -570.065981
where:
bonds (distance) C4'-P energy: -118.790
bonds (distance) P-C4' energy: -119.461
flat angles C4'-P-C4' energy: -123.063
flat angles P-C4'-P energy: -86.522
tors. eta vs tors. theta energy: -122.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1600.331208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.331208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.331208 (E_RNA)
where:
Base-Base interactions energy: -1078.588
where: short stacking energy: -459.600
Base-Backbone interact. energy: -2.469
local terms energy: -519.274380
where:
bonds (distance) C4'-P energy: -99.038
bonds (distance) P-C4' energy: -125.688
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -101.123
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: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1243.409992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.409992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.409992 (E_RNA)
where:
Base-Base interactions energy: -778.585
where: short stacking energy: -361.475
Base-Backbone interact. energy: -0.815
local terms energy: -464.009915
where:
bonds (distance) C4'-P energy: -105.401
bonds (distance) P-C4' energy: -110.663
flat angles C4'-P-C4' energy: -102.514
flat angles P-C4'-P energy: -67.190
tors. eta vs tors. theta energy: -78.242
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: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -855.153316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.153316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.153316 (E_RNA)
where:
Base-Base interactions energy: -483.596
where: short stacking energy: -256.654
Base-Backbone interact. energy: 2.861
local terms energy: -374.418537
where:
bonds (distance) C4'-P energy: -104.264
bonds (distance) P-C4' energy: -109.861
flat angles C4'-P-C4' energy: -112.619
flat angles P-C4'-P energy: -46.689
tors. eta vs tors. theta energy: -0.985
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: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -568.233924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.233924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.233924 (E_RNA)
where:
Base-Base interactions energy: -242.655
where: short stacking energy: -168.670
Base-Backbone interact. energy: -1.568
local terms energy: -324.011096
where:
bonds (distance) C4'-P energy: -107.766
bonds (distance) P-C4' energy: -111.102
flat angles C4'-P-C4' energy: -72.073
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: 0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -494.036428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.036428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.036428 (E_RNA)
where:
Base-Base interactions energy: -173.361
where: short stacking energy: -159.767
Base-Backbone interact. energy: 6.125
local terms energy: -326.800038
where:
bonds (distance) C4'-P energy: -103.930
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -102.062
flat angles P-C4'-P energy: -29.572
tors. eta vs tors. theta energy: 7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2153.347737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.347737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.347737 (E_RNA)
where:
Base-Base interactions energy: -1484.139
where: short stacking energy: -628.448
Base-Backbone interact. energy: -3.035
local terms energy: -666.173219
where:
bonds (distance) C4'-P energy: -129.468
bonds (distance) P-C4' energy: -124.069
flat angles C4'-P-C4' energy: -139.214
flat angles P-C4'-P energy: -98.062
tors. eta vs tors. theta energy: -175.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2103.753219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.753219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.753219 (E_RNA)
where:
Base-Base interactions energy: -1431.008
where: short stacking energy: -622.885
Base-Backbone interact. energy: -4.085
local terms energy: -668.660978
where:
bonds (distance) C4'-P energy: -129.196
bonds (distance) P-C4' energy: -132.063
flat angles C4'-P-C4' energy: -137.919
flat angles P-C4'-P energy: -98.446
tors. eta vs tors. theta energy: -171.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1943.185450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.185450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.185450 (E_RNA)
where:
Base-Base interactions energy: -1346.213
where: short stacking energy: -561.653
Base-Backbone interact. energy: -3.994
local terms energy: -592.978847
where:
bonds (distance) C4'-P energy: -125.719
bonds (distance) P-C4' energy: -109.162
flat angles C4'-P-C4' energy: -139.102
flat angles P-C4'-P energy: -73.149
tors. eta vs tors. theta energy: -145.847
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: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1766.721980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.721980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.721980 (E_RNA)
where:
Base-Base interactions energy: -1180.205
where: short stacking energy: -517.434
Base-Backbone interact. energy: 0.676
local terms energy: -587.192862
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -113.119
flat angles C4'-P-C4' energy: -126.268
flat angles P-C4'-P energy: -85.623
tors. eta vs tors. theta energy: -155.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1650.245007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.245007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.245007 (E_RNA)
where:
Base-Base interactions energy: -1076.536
where: short stacking energy: -476.267
Base-Backbone interact. energy: -2.023
local terms energy: -571.685847
where:
bonds (distance) C4'-P energy: -128.018
bonds (distance) P-C4' energy: -120.429
flat angles C4'-P-C4' energy: -120.378
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -125.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1644.552732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.552732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.552732 (E_RNA)
where:
Base-Base interactions energy: -1122.206
where: short stacking energy: -459.230
Base-Backbone interact. energy: -4.856
local terms energy: -517.490697
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -116.946
flat angles C4'-P-C4' energy: -110.671
flat angles P-C4'-P energy: -65.100
tors. eta vs tors. theta energy: -120.002
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: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1178.206133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.206133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.206133 (E_RNA)
where:
Base-Base interactions energy: -706.617
where: short stacking energy: -336.807
Base-Backbone interact. energy: -5.390
local terms energy: -466.198654
where:
bonds (distance) C4'-P energy: -107.159
bonds (distance) P-C4' energy: -106.640
flat angles C4'-P-C4' energy: -120.447
flat angles P-C4'-P energy: -63.863
tors. eta vs tors. theta energy: -68.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -839.250690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.250690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.250690 (E_RNA)
where:
Base-Base interactions energy: -464.974
where: short stacking energy: -235.498
Base-Backbone interact. energy: 10.083
local terms energy: -384.358975
where:
bonds (distance) C4'-P energy: -99.746
bonds (distance) P-C4' energy: -100.676
flat angles C4'-P-C4' energy: -103.379
flat angles P-C4'-P energy: -71.292
tors. eta vs tors. theta energy: -9.266
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: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -625.674277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.674277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.674277 (E_RNA)
where:
Base-Base interactions energy: -275.982
where: short stacking energy: -186.877
Base-Backbone interact. energy: 0.186
local terms energy: -349.877950
where:
bonds (distance) C4'-P energy: -88.946
bonds (distance) P-C4' energy: -99.929
flat angles C4'-P-C4' energy: -101.355
flat angles P-C4'-P energy: -58.011
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -500.279470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.279470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.279470 (E_RNA)
where:
Base-Base interactions energy: -178.499
where: short stacking energy: -156.874
Base-Backbone interact. energy: -2.439
local terms energy: -319.341410
where:
bonds (distance) C4'-P energy: -107.660
bonds (distance) P-C4' energy: -99.742
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: 16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2170.803530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.803530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.803530 (E_RNA)
where:
Base-Base interactions energy: -1493.075
where: short stacking energy: -644.942
Base-Backbone interact. energy: -3.783
local terms energy: -673.945324
where:
bonds (distance) C4'-P energy: -137.645
bonds (distance) P-C4' energy: -121.440
flat angles C4'-P-C4' energy: -138.059
flat angles P-C4'-P energy: -104.714
tors. eta vs tors. theta energy: -172.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2045.472188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.472188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.472188 (E_RNA)
where:
Base-Base interactions energy: -1405.848
where: short stacking energy: -574.469
Base-Backbone interact. energy: -4.123
local terms energy: -635.501209
where:
bonds (distance) C4'-P energy: -111.345
bonds (distance) P-C4' energy: -140.309
flat angles C4'-P-C4' energy: -131.853
flat angles P-C4'-P energy: -77.002
tors. eta vs tors. theta energy: -174.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1948.028263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.028263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.028263 (E_RNA)
where:
Base-Base interactions energy: -1339.128
where: short stacking energy: -574.153
Base-Backbone interact. energy: 0.696
local terms energy: -609.596924
where:
bonds (distance) C4'-P energy: -108.510
bonds (distance) P-C4' energy: -124.060
flat angles C4'-P-C4' energy: -128.354
flat angles P-C4'-P energy: -93.876
tors. eta vs tors. theta energy: -154.797
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: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1785.961091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.961091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.961091 (E_RNA)
where:
Base-Base interactions energy: -1166.666
where: short stacking energy: -533.583
Base-Backbone interact. energy: -1.932
local terms energy: -617.363432
where:
bonds (distance) C4'-P energy: -114.195
bonds (distance) P-C4' energy: -132.138
flat angles C4'-P-C4' energy: -129.294
flat angles P-C4'-P energy: -77.147
tors. eta vs tors. theta energy: -164.590
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: 180
Temperature: 1.100000
Total energy: -1750.131237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.131237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.131237 (E_RNA)
where:
Base-Base interactions energy: -1214.998
where: short stacking energy: -525.259
Base-Backbone interact. energy: -4.578
local terms energy: -530.554335
where:
bonds (distance) C4'-P energy: -89.426
bonds (distance) P-C4' energy: -103.274
flat angles C4'-P-C4' energy: -128.757
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -132.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1552.604812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.604812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.604812 (E_RNA)
where:
Base-Base interactions energy: -995.666
where: short stacking energy: -474.230
Base-Backbone interact. energy: 1.937
local terms energy: -558.875883
where:
bonds (distance) C4'-P energy: -102.583
bonds (distance) P-C4' energy: -125.528
flat angles C4'-P-C4' energy: -116.682
flat angles P-C4'-P energy: -79.682
tors. eta vs tors. theta energy: -134.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1261.948730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.948730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.948730 (E_RNA)
where:
Base-Base interactions energy: -800.338
where: short stacking energy: -352.967
Base-Backbone interact. energy: -5.169
local terms energy: -456.441496
where:
bonds (distance) C4'-P energy: -107.466
bonds (distance) P-C4' energy: -109.396
flat angles C4'-P-C4' energy: -115.462
flat angles P-C4'-P energy: -65.810
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: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -869.766339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.766339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.766339 (E_RNA)
where:
Base-Base interactions energy: -464.483
where: short stacking energy: -250.681
Base-Backbone interact. energy: 1.291
local terms energy: -406.573645
where:
bonds (distance) C4'-P energy: -115.604
bonds (distance) P-C4' energy: -111.523
flat angles C4'-P-C4' energy: -78.094
flat angles P-C4'-P energy: -68.355
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -647.971508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.971508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.971508 (E_RNA)
where:
Base-Base interactions energy: -282.794
where: short stacking energy: -190.746
Base-Backbone interact. energy: -1.292
local terms energy: -363.886101
where:
bonds (distance) C4'-P energy: -104.054
bonds (distance) P-C4' energy: -113.335
flat angles C4'-P-C4' energy: -84.939
flat angles P-C4'-P energy: -67.548
tors. eta vs tors. theta energy: 5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -491.579445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.579445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.579445 (E_RNA)
where:
Base-Base interactions energy: -211.090
where: short stacking energy: -155.107
Base-Backbone interact. energy: 0.425
local terms energy: -280.914581
where:
bonds (distance) C4'-P energy: -99.467
bonds (distance) P-C4' energy: -112.596
flat angles C4'-P-C4' energy: -68.710
flat angles P-C4'-P energy: -22.059
tors. eta vs tors. theta energy: 21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2116.660587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.660587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.660587 (E_RNA)
where:
Base-Base interactions energy: -1457.514
where: short stacking energy: -595.169
Base-Backbone interact. energy: -1.808
local terms energy: -657.338334
where:
bonds (distance) C4'-P energy: -129.552
bonds (distance) P-C4' energy: -130.439
flat angles C4'-P-C4' energy: -135.210
flat angles P-C4'-P energy: -90.435
tors. eta vs tors. theta energy: -171.702
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: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2038.388899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.388899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.388899 (E_RNA)
where:
Base-Base interactions energy: -1401.357
where: short stacking energy: -587.062
Base-Backbone interact. energy: -4.532
local terms energy: -632.500112
where:
bonds (distance) C4'-P energy: -115.378
bonds (distance) P-C4' energy: -117.567
flat angles C4'-P-C4' energy: -135.939
flat angles P-C4'-P energy: -99.170
tors. eta vs tors. theta energy: -164.446
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1926.246145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.246145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.246145 (E_RNA)
where:
Base-Base interactions energy: -1296.993
where: short stacking energy: -585.576
Base-Backbone interact. energy: 0.149
local terms energy: -629.401853
where:
bonds (distance) C4'-P energy: -117.335
bonds (distance) P-C4' energy: -117.544
flat angles C4'-P-C4' energy: -135.898
flat angles P-C4'-P energy: -96.222
tors. eta vs tors. theta energy: -162.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1809.475702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.475702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.475702 (E_RNA)
where:
Base-Base interactions energy: -1198.156
where: short stacking energy: -553.037
Base-Backbone interact. energy: -2.239
local terms energy: -609.080495
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -113.958
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -86.413
tors. eta vs tors. theta energy: -163.544
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: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1773.508486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.508486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.508486 (E_RNA)
where:
Base-Base interactions energy: -1219.061
where: short stacking energy: -510.936
Base-Backbone interact. energy: 0.151
local terms energy: -554.598508
where:
bonds (distance) C4'-P energy: -106.297
bonds (distance) P-C4' energy: -113.639
flat angles C4'-P-C4' energy: -128.323
flat angles P-C4'-P energy: -74.846
tors. eta vs tors. theta energy: -131.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1503.927907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.927907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.927907 (E_RNA)
where:
Base-Base interactions energy: -991.679
where: short stacking energy: -435.400
Base-Backbone interact. energy: -1.959
local terms energy: -510.290224
where:
bonds (distance) C4'-P energy: -114.863
bonds (distance) P-C4' energy: -110.770
flat angles C4'-P-C4' energy: -108.897
flat angles P-C4'-P energy: -68.531
tors. eta vs tors. theta energy: -107.230
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: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1324.847529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.847529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.847529 (E_RNA)
where:
Base-Base interactions energy: -836.830
where: short stacking energy: -384.439
Base-Backbone interact. energy: -1.047
local terms energy: -486.970432
where:
bonds (distance) C4'-P energy: -86.922
bonds (distance) P-C4' energy: -105.719
flat angles C4'-P-C4' energy: -112.532
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -99.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -997.414266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.414266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.414266 (E_RNA)
where:
Base-Base interactions energy: -589.601
where: short stacking energy: -261.772
Base-Backbone interact. energy: -1.936
local terms energy: -405.877607
where:
bonds (distance) C4'-P energy: -92.442
bonds (distance) P-C4' energy: -118.782
flat angles C4'-P-C4' energy: -99.441
flat angles P-C4'-P energy: -58.684
tors. eta vs tors. theta energy: -36.529
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: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -611.496631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.496631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.496631 (E_RNA)
where:
Base-Base interactions energy: -242.744
where: short stacking energy: -173.698
Base-Backbone interact. energy: -1.227
local terms energy: -367.526468
where:
bonds (distance) C4'-P energy: -97.774
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -85.803
flat angles P-C4'-P energy: -72.272
tors. eta vs tors. theta energy: 6.505
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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -471.018226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.018226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.018226 (E_RNA)
where:
Base-Base interactions energy: -172.557
where: short stacking energy: -156.699
Base-Backbone interact. energy: 3.751
local terms energy: -302.211880
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -98.178
flat angles C4'-P-C4' energy: -93.959
flat angles P-C4'-P energy: -58.417
tors. eta vs tors. theta energy: 35.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2127.248428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.248428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.248428 (E_RNA)
where:
Base-Base interactions energy: -1457.938
where: short stacking energy: -608.659
Base-Backbone interact. energy: -3.819
local terms energy: -665.491437
where:
bonds (distance) C4'-P energy: -125.370
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -136.623
flat angles P-C4'-P energy: -106.888
tors. eta vs tors. theta energy: -169.835
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2032.864672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.864672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.864672 (E_RNA)
where:
Base-Base interactions energy: -1399.984
where: short stacking energy: -574.350
Base-Backbone interact. energy: -2.823
local terms energy: -630.057220
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -128.505
flat angles C4'-P-C4' energy: -138.660
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -173.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1957.255136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.255136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.255136 (E_RNA)
where:
Base-Base interactions energy: -1338.226
where: short stacking energy: -566.743
Base-Backbone interact. energy: -6.996
local terms energy: -612.032522
where:
bonds (distance) C4'-P energy: -109.440
bonds (distance) P-C4' energy: -122.944
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -89.838
tors. eta vs tors. theta energy: -160.557
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1837.447145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.447145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.447145 (E_RNA)
where:
Base-Base interactions energy: -1220.216
where: short stacking energy: -576.343
Base-Backbone interact. energy: -0.625
local terms energy: -616.606414
where:
bonds (distance) C4'-P energy: -100.401
bonds (distance) P-C4' energy: -112.442
flat angles C4'-P-C4' energy: -141.587
flat angles P-C4'-P energy: -88.257
tors. eta vs tors. theta energy: -173.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1764.349890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.349890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.349890 (E_RNA)
where:
Base-Base interactions energy: -1202.767
where: short stacking energy: -544.845
Base-Backbone interact. energy: -1.224
local terms energy: -560.358315
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -112.380
flat angles C4'-P-C4' energy: -132.119
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -139.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1578.308058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.308058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.308058 (E_RNA)
where:
Base-Base interactions energy: -1029.809
where: short stacking energy: -495.317
Base-Backbone interact. energy: -1.018
local terms energy: -547.480800
where:
bonds (distance) C4'-P energy: -116.112
bonds (distance) P-C4' energy: -108.089
flat angles C4'-P-C4' energy: -127.238
flat angles P-C4'-P energy: -71.235
tors. eta vs tors. theta energy: -124.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1331.058561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.058561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.058561 (E_RNA)
where:
Base-Base interactions energy: -846.838
where: short stacking energy: -401.124
Base-Backbone interact. energy: -1.864
local terms energy: -482.356824
where:
bonds (distance) C4'-P energy: -97.712
bonds (distance) P-C4' energy: -111.345
flat angles C4'-P-C4' energy: -109.409
flat angles P-C4'-P energy: -68.727
tors. eta vs tors. theta energy: -95.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -941.405482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.405482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.405482 (E_RNA)
where:
Base-Base interactions energy: -531.443
where: short stacking energy: -271.364
Base-Backbone interact. energy: 1.299
local terms energy: -411.261419
where:
bonds (distance) C4'-P energy: -104.504
bonds (distance) P-C4' energy: -110.793
flat angles C4'-P-C4' energy: -92.476
flat angles P-C4'-P energy: -64.544
tors. eta vs tors. theta energy: -38.945
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: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -629.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.608427 (E_RNA)
where:
Base-Base interactions energy: -274.698
where: short stacking energy: -182.123
Base-Backbone interact. energy: -5.424
local terms energy: -349.486661
where:
bonds (distance) C4'-P energy: -114.598
bonds (distance) P-C4' energy: -109.776
flat angles C4'-P-C4' energy: -83.658
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: 8.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -505.688904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.688904 (E_RNA)
where:
Base-Base interactions energy: -196.675
where: short stacking energy: -175.051
Base-Backbone interact. energy: 2.151
local terms energy: -311.164454
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -98.203
flat angles C4'-P-C4' energy: -90.990
flat angles P-C4'-P energy: -64.724
tors. eta vs tors. theta energy: 30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2106.659186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.659186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.659186 (E_RNA)
where:
Base-Base interactions energy: -1451.804
where: short stacking energy: -616.346
Base-Backbone interact. energy: -3.036
local terms energy: -651.819775
where:
bonds (distance) C4'-P energy: -124.338
bonds (distance) P-C4' energy: -123.621
flat angles C4'-P-C4' energy: -145.202
flat angles P-C4'-P energy: -89.617
tors. eta vs tors. theta energy: -169.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2019.649754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.649754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.649754 (E_RNA)
where:
Base-Base interactions energy: -1388.173
where: short stacking energy: -578.147
Base-Backbone interact. energy: -2.596
local terms energy: -628.880318
where:
bonds (distance) C4'-P energy: -122.992
bonds (distance) P-C4' energy: -122.512
flat angles C4'-P-C4' energy: -144.076
flat angles P-C4'-P energy: -79.585
tors. eta vs tors. theta energy: -159.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1907.857647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.857647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.857647 (E_RNA)
where:
Base-Base interactions energy: -1267.952
where: short stacking energy: -547.456
Base-Backbone interact. energy: -6.669
local terms energy: -633.236047
where:
bonds (distance) C4'-P energy: -132.792
bonds (distance) P-C4' energy: -113.087
flat angles C4'-P-C4' energy: -144.769
flat angles P-C4'-P energy: -94.139
tors. eta vs tors. theta energy: -148.450
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: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1844.325619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.325619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.325619 (E_RNA)
where:
Base-Base interactions energy: -1213.721
where: short stacking energy: -560.387
Base-Backbone interact. energy: -1.161
local terms energy: -629.443693
where:
bonds (distance) C4'-P energy: -120.564
bonds (distance) P-C4' energy: -113.892
flat angles C4'-P-C4' energy: -135.840
flat angles P-C4'-P energy: -88.763
tors. eta vs tors. theta energy: -170.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1805.774748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.774748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.774748 (E_RNA)
where:
Base-Base interactions energy: -1192.173
where: short stacking energy: -513.327
Base-Backbone interact. energy: -2.800
local terms energy: -610.801941
where:
bonds (distance) C4'-P energy: -124.336
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -127.629
flat angles P-C4'-P energy: -87.397
tors. eta vs tors. theta energy: -151.937
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: 183
Temperature: 1.150000
Total energy: -1554.430090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.430090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.430090 (E_RNA)
where:
Base-Base interactions energy: -1032.829
where: short stacking energy: -460.258
Base-Backbone interact. energy: -2.832
local terms energy: -518.768340
where:
bonds (distance) C4'-P energy: -90.421
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -115.542
flat angles P-C4'-P energy: -69.308
tors. eta vs tors. theta energy: -134.765
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: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1300.973555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.973555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.973555 (E_RNA)
where:
Base-Base interactions energy: -821.312
where: short stacking energy: -393.081
Base-Backbone interact. energy: -1.367
local terms energy: -478.294977
where:
bonds (distance) C4'-P energy: -107.470
bonds (distance) P-C4' energy: -90.527
flat angles C4'-P-C4' energy: -123.095
flat angles P-C4'-P energy: -81.362
tors. eta vs tors. theta energy: -75.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -938.836418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.836418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.836418 (E_RNA)
where:
Base-Base interactions energy: -524.315
where: short stacking energy: -249.510
Base-Backbone interact. energy: -0.235
local terms energy: -414.286064
where:
bonds (distance) C4'-P energy: -107.894
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -105.424
flat angles P-C4'-P energy: -51.920
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -632.189155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.189155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.189155 (E_RNA)
where:
Base-Base interactions energy: -291.254
where: short stacking energy: -169.469
Base-Backbone interact. energy: -3.618
local terms energy: -337.317232
where:
bonds (distance) C4'-P energy: -88.750
bonds (distance) P-C4' energy: -109.522
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -55.210
tors. eta vs tors. theta energy: 3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -504.429207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.429207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.429207 (E_RNA)
where:
Base-Base interactions energy: -154.369
where: short stacking energy: -135.648
Base-Backbone interact. energy: 7.392
local terms energy: -357.451810
where:
bonds (distance) C4'-P energy: -108.010
bonds (distance) P-C4' energy: -124.042
flat angles C4'-P-C4' energy: -84.912
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: 14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2100.655410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.655410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.655410 (E_RNA)
where:
Base-Base interactions energy: -1434.895
where: short stacking energy: -604.067
Base-Backbone interact. energy: 0.138
local terms energy: -665.898243
where:
bonds (distance) C4'-P energy: -128.884
bonds (distance) P-C4' energy: -132.113
flat angles C4'-P-C4' energy: -145.836
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -165.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2043.427203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.427203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.427203 (E_RNA)
where:
Base-Base interactions energy: -1436.565
where: short stacking energy: -590.228
Base-Backbone interact. energy: -4.339
local terms energy: -602.523517
where:
bonds (distance) C4'-P energy: -126.641
bonds (distance) P-C4' energy: -118.485
flat angles C4'-P-C4' energy: -118.595
flat angles P-C4'-P energy: -73.871
tors. eta vs tors. theta energy: -164.932
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: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1912.246408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.246408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.246408 (E_RNA)
where:
Base-Base interactions energy: -1320.090
where: short stacking energy: -549.242
Base-Backbone interact. energy: -3.772
local terms energy: -588.384262
where:
bonds (distance) C4'-P energy: -108.034
bonds (distance) P-C4' energy: -116.637
flat angles C4'-P-C4' energy: -127.571
flat angles P-C4'-P energy: -79.224
tors. eta vs tors. theta energy: -156.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1876.309762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.309762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.309762 (E_RNA)
where:
Base-Base interactions energy: -1236.978
where: short stacking energy: -557.438
Base-Backbone interact. energy: -3.688
local terms energy: -635.643788
where:
bonds (distance) C4'-P energy: -117.588
bonds (distance) P-C4' energy: -117.848
flat angles C4'-P-C4' energy: -139.750
flat angles P-C4'-P energy: -96.406
tors. eta vs tors. theta energy: -164.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1824.021804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.021804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.021804 (E_RNA)
where:
Base-Base interactions energy: -1262.073
where: short stacking energy: -546.298
Base-Backbone interact. energy: -0.350
local terms energy: -561.598685
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -119.067
flat angles C4'-P-C4' energy: -138.033
flat angles P-C4'-P energy: -65.910
tors. eta vs tors. theta energy: -151.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1520.469149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.469149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.469149 (E_RNA)
where:
Base-Base interactions energy: -1009.755
where: short stacking energy: -475.533
Base-Backbone interact. energy: -2.043
local terms energy: -508.671365
where:
bonds (distance) C4'-P energy: -105.171
bonds (distance) P-C4' energy: -98.126
flat angles C4'-P-C4' energy: -121.523
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -104.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1277.292180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.292180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.292180 (E_RNA)
where:
Base-Base interactions energy: -816.617
where: short stacking energy: -366.052
Base-Backbone interact. energy: -2.495
local terms energy: -458.180607
where:
bonds (distance) C4'-P energy: -98.442
bonds (distance) P-C4' energy: -104.120
flat angles C4'-P-C4' energy: -101.686
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -76.568
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: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -936.005747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.005747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.005747 (E_RNA)
where:
Base-Base interactions energy: -524.453
where: short stacking energy: -273.595
Base-Backbone interact. energy: -1.887
local terms energy: -409.666387
where:
bonds (distance) C4'-P energy: -98.261
bonds (distance) P-C4' energy: -100.333
flat angles C4'-P-C4' energy: -112.791
flat angles P-C4'-P energy: -55.662
tors. eta vs tors. theta energy: -42.620
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: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -639.849573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.849573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.849573 (E_RNA)
where:
Base-Base interactions energy: -279.597
where: short stacking energy: -166.459
Base-Backbone interact. energy: -1.612
local terms energy: -358.641098
where:
bonds (distance) C4'-P energy: -104.004
bonds (distance) P-C4' energy: -119.961
flat angles C4'-P-C4' energy: -83.721
flat angles P-C4'-P energy: -58.639
tors. eta vs tors. theta energy: 7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -543.191864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.191864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.191864 (E_RNA)
where:
Base-Base interactions energy: -222.868
where: short stacking energy: -162.914
Base-Backbone interact. energy: 3.913
local terms energy: -324.236886
where:
bonds (distance) C4'-P energy: -98.191
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -94.377
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: 25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2090.010929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.010929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.010929 (E_RNA)
where:
Base-Base interactions energy: -1456.314
where: short stacking energy: -620.648
Base-Backbone interact. energy: -3.485
local terms energy: -630.212482
where:
bonds (distance) C4'-P energy: -120.778
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -137.679
flat angles P-C4'-P energy: -87.086
tors. eta vs tors. theta energy: -163.787
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: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2076.707833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.707833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.707833 (E_RNA)
where:
Base-Base interactions energy: -1440.405
where: short stacking energy: -605.150
Base-Backbone interact. energy: -1.427
local terms energy: -634.875755
where:
bonds (distance) C4'-P energy: -109.803
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -145.448
flat angles P-C4'-P energy: -85.173
tors. eta vs tors. theta energy: -174.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1959.897659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.897659 (E_RNA)
where:
Base-Base interactions energy: -1336.628
where: short stacking energy: -565.246
Base-Backbone interact. energy: 0.138
local terms energy: -623.407871
where:
bonds (distance) C4'-P energy: -120.968
bonds (distance) P-C4' energy: -109.528
flat angles C4'-P-C4' energy: -148.702
flat angles P-C4'-P energy: -78.882
tors. eta vs tors. theta energy: -165.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1885.985598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.985598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.985598 (E_RNA)
where:
Base-Base interactions energy: -1255.445
where: short stacking energy: -564.750
Base-Backbone interact. energy: 1.235
local terms energy: -631.775206
where:
bonds (distance) C4'-P energy: -107.111
bonds (distance) P-C4' energy: -133.523
flat angles C4'-P-C4' energy: -131.679
flat angles P-C4'-P energy: -92.021
tors. eta vs tors. theta energy: -167.441
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: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1742.616549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.616549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.616549 (E_RNA)
where:
Base-Base interactions energy: -1201.427
where: short stacking energy: -529.127
Base-Backbone interact. energy: -3.462
local terms energy: -537.728456
where:
bonds (distance) C4'-P energy: -117.346
bonds (distance) P-C4' energy: -106.740
flat angles C4'-P-C4' energy: -121.561
flat angles P-C4'-P energy: -60.941
tors. eta vs tors. theta energy: -131.141
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: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1555.766534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.766534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.766534 (E_RNA)
where:
Base-Base interactions energy: -1003.469
where: short stacking energy: -458.558
Base-Backbone interact. energy: -1.064
local terms energy: -551.233003
where:
bonds (distance) C4'-P energy: -110.295
bonds (distance) P-C4' energy: -124.489
flat angles C4'-P-C4' energy: -119.804
flat angles P-C4'-P energy: -77.638
tors. eta vs tors. theta energy: -119.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1295.675649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.675649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.675649 (E_RNA)
where:
Base-Base interactions energy: -810.594
where: short stacking energy: -373.192
Base-Backbone interact. energy: 1.627
local terms energy: -486.708548
where:
bonds (distance) C4'-P energy: -107.421
bonds (distance) P-C4' energy: -121.538
flat angles C4'-P-C4' energy: -104.315
flat angles P-C4'-P energy: -64.443
tors. eta vs tors. theta energy: -88.993
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: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -904.641842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.641842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.641842 (E_RNA)
where:
Base-Base interactions energy: -487.950
where: short stacking energy: -248.653
Base-Backbone interact. energy: 3.902
local terms energy: -420.593211
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -120.541
flat angles C4'-P-C4' energy: -104.553
flat angles P-C4'-P energy: -60.575
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -598.763432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.763432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.763432 (E_RNA)
where:
Base-Base interactions energy: -272.377
where: short stacking energy: -173.326
Base-Backbone interact. energy: 4.464
local terms energy: -330.850619
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -90.541
flat angles C4'-P-C4' energy: -87.452
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: 6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -554.379234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.379234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.379234 (E_RNA)
where:
Base-Base interactions energy: -222.876
where: short stacking energy: -178.298
Base-Backbone interact. energy: -0.954
local terms energy: -330.550016
where:
bonds (distance) C4'-P energy: -87.846
bonds (distance) P-C4' energy: -123.686
flat angles C4'-P-C4' energy: -93.284
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: 16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2112.231888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.231888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.231888 (E_RNA)
where:
Base-Base interactions energy: -1465.332
where: short stacking energy: -622.160
Base-Backbone interact. energy: -3.754
local terms energy: -643.145853
where:
bonds (distance) C4'-P energy: -112.523
bonds (distance) P-C4' energy: -127.988
flat angles C4'-P-C4' energy: -141.246
flat angles P-C4'-P energy: -89.567
tors. eta vs tors. theta energy: -171.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2058.694206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.694206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.694206 (E_RNA)
where:
Base-Base interactions energy: -1400.488
where: short stacking energy: -591.475
Base-Backbone interact. energy: -2.957
local terms energy: -655.249649
where:
bonds (distance) C4'-P energy: -117.596
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -136.948
flat angles P-C4'-P energy: -100.385
tors. eta vs tors. theta energy: -170.471
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: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1927.434623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.434623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.434623 (E_RNA)
where:
Base-Base interactions energy: -1315.948
where: short stacking energy: -556.702
Base-Backbone interact. energy: -3.470
local terms energy: -608.017020
where:
bonds (distance) C4'-P energy: -116.186
bonds (distance) P-C4' energy: -101.013
flat angles C4'-P-C4' energy: -131.936
flat angles P-C4'-P energy: -96.358
tors. eta vs tors. theta energy: -162.525
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: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1844.896265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.896265 (E_RNA)
where:
Base-Base interactions energy: -1251.630
where: short stacking energy: -570.052
Base-Backbone interact. energy: -2.383
local terms energy: -590.883992
where:
bonds (distance) C4'-P energy: -107.738
bonds (distance) P-C4' energy: -112.591
flat angles C4'-P-C4' energy: -120.915
flat angles P-C4'-P energy: -75.626
tors. eta vs tors. theta energy: -174.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1757.977615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.977615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.977615 (E_RNA)
where:
Base-Base interactions energy: -1189.132
where: short stacking energy: -543.775
Base-Backbone interact. energy: 0.282
local terms energy: -569.127523
where:
bonds (distance) C4'-P energy: -106.867
bonds (distance) P-C4' energy: -113.376
flat angles C4'-P-C4' energy: -131.212
flat angles P-C4'-P energy: -80.897
tors. eta vs tors. theta energy: -136.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1554.478279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.478279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.478279 (E_RNA)
where:
Base-Base interactions energy: -1026.443
where: short stacking energy: -484.349
Base-Backbone interact. energy: 0.193
local terms energy: -528.227875
where:
bonds (distance) C4'-P energy: -100.480
bonds (distance) P-C4' energy: -108.157
flat angles C4'-P-C4' energy: -118.835
flat angles P-C4'-P energy: -74.835
tors. eta vs tors. theta energy: -125.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1304.830854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.830854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.830854 (E_RNA)
where:
Base-Base interactions energy: -846.737
where: short stacking energy: -378.367
Base-Backbone interact. energy: -1.552
local terms energy: -456.541906
where:
bonds (distance) C4'-P energy: -81.804
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -120.842
flat angles P-C4'-P energy: -53.449
tors. eta vs tors. theta energy: -76.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -938.046240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.046240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.046240 (E_RNA)
where:
Base-Base interactions energy: -520.151
where: short stacking energy: -279.574
Base-Backbone interact. energy: -2.898
local terms energy: -414.997094
where:
bonds (distance) C4'-P energy: -104.516
bonds (distance) P-C4' energy: -111.584
flat angles C4'-P-C4' energy: -98.603
flat angles P-C4'-P energy: -60.930
tors. eta vs tors. theta energy: -39.364
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -667.317471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.317471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.317471 (E_RNA)
where:
Base-Base interactions energy: -328.192
where: short stacking energy: -200.661
Base-Backbone interact. energy: 4.243
local terms energy: -343.368316
where:
bonds (distance) C4'-P energy: -96.909
bonds (distance) P-C4' energy: -122.727
flat angles C4'-P-C4' energy: -81.902
flat angles P-C4'-P energy: -55.281
tors. eta vs tors. theta energy: 13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -556.533369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.533369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.533369 (E_RNA)
where:
Base-Base interactions energy: -256.653
where: short stacking energy: -161.075
Base-Backbone interact. energy: 1.270
local terms energy: -301.149801
where:
bonds (distance) C4'-P energy: -96.922
bonds (distance) P-C4' energy: -103.865
flat angles C4'-P-C4' energy: -79.966
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: 27.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2093.720026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.720026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.720026 (E_RNA)
where:
Base-Base interactions energy: -1445.797
where: short stacking energy: -591.690
Base-Backbone interact. energy: -4.608
local terms energy: -643.315038
where:
bonds (distance) C4'-P energy: -119.524
bonds (distance) P-C4' energy: -130.230
flat angles C4'-P-C4' energy: -130.899
flat angles P-C4'-P energy: -101.896
tors. eta vs tors. theta energy: -160.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2072.211379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.211379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.211379 (E_RNA)
where:
Base-Base interactions energy: -1423.155
where: short stacking energy: -605.158
Base-Backbone interact. energy: -3.707
local terms energy: -645.349644
where:
bonds (distance) C4'-P energy: -126.472
bonds (distance) P-C4' energy: -115.102
flat angles C4'-P-C4' energy: -144.307
flat angles P-C4'-P energy: -85.704
tors. eta vs tors. theta energy: -173.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1859.168611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.168611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.168611 (E_RNA)
where:
Base-Base interactions energy: -1242.107
where: short stacking energy: -523.370
Base-Backbone interact. energy: -3.615
local terms energy: -613.446497
where:
bonds (distance) C4'-P energy: -106.381
bonds (distance) P-C4' energy: -120.985
flat angles C4'-P-C4' energy: -144.562
flat angles P-C4'-P energy: -92.119
tors. eta vs tors. theta energy: -149.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1835.357009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.357009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.357009 (E_RNA)
where:
Base-Base interactions energy: -1271.539
where: short stacking energy: -529.405
Base-Backbone interact. energy: -4.930
local terms energy: -558.887083
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -111.241
flat angles C4'-P-C4' energy: -118.400
flat angles P-C4'-P energy: -77.091
tors. eta vs tors. theta energy: -138.121
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: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1809.414416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.414416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.414416 (E_RNA)
where:
Base-Base interactions energy: -1226.945
where: short stacking energy: -566.313
Base-Backbone interact. energy: -0.979
local terms energy: -581.489690
where:
bonds (distance) C4'-P energy: -96.820
bonds (distance) P-C4' energy: -104.228
flat angles C4'-P-C4' energy: -129.644
flat angles P-C4'-P energy: -76.358
tors. eta vs tors. theta energy: -174.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1539.975800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.975800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.975800 (E_RNA)
where:
Base-Base interactions energy: -994.639
where: short stacking energy: -451.888
Base-Backbone interact. energy: -1.827
local terms energy: -543.509781
where:
bonds (distance) C4'-P energy: -119.239
bonds (distance) P-C4' energy: -105.959
flat angles C4'-P-C4' energy: -125.242
flat angles P-C4'-P energy: -75.976
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: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1336.050856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.050856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.050856 (E_RNA)
where:
Base-Base interactions energy: -850.645
where: short stacking energy: -397.416
Base-Backbone interact. energy: -2.417
local terms energy: -482.988737
where:
bonds (distance) C4'-P energy: -106.789
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -116.086
flat angles P-C4'-P energy: -75.305
tors. eta vs tors. theta energy: -85.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -953.280035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.280035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.280035 (E_RNA)
where:
Base-Base interactions energy: -543.405
where: short stacking energy: -265.780
Base-Backbone interact. energy: -3.319
local terms energy: -406.555430
where:
bonds (distance) C4'-P energy: -99.788
bonds (distance) P-C4' energy: -102.290
flat angles C4'-P-C4' energy: -99.449
flat angles P-C4'-P energy: -73.139
tors. eta vs tors. theta energy: -31.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -682.533675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.533675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.533675 (E_RNA)
where:
Base-Base interactions energy: -331.058
where: short stacking energy: -198.816
Base-Backbone interact. energy: 2.289
local terms energy: -353.765093
where:
bonds (distance) C4'-P energy: -106.779
bonds (distance) P-C4' energy: -113.507
flat angles C4'-P-C4' energy: -93.262
flat angles P-C4'-P energy: -39.425
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: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -563.234127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.234127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.234127 (E_RNA)
where:
Base-Base interactions energy: -256.636
where: short stacking energy: -178.846
Base-Backbone interact. energy: 1.276
local terms energy: -307.874507
where:
bonds (distance) C4'-P energy: -85.217
bonds (distance) P-C4' energy: -96.740
flat angles C4'-P-C4' energy: -103.547
flat angles P-C4'-P energy: -47.655
tors. eta vs tors. theta energy: 25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2095.848439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.848439 (E_RNA)
where:
Base-Base interactions energy: -1437.835
where: short stacking energy: -599.006
Base-Backbone interact. energy: -3.401
local terms energy: -654.611791
where:
bonds (distance) C4'-P energy: -126.597
bonds (distance) P-C4' energy: -123.107
flat angles C4'-P-C4' energy: -136.254
flat angles P-C4'-P energy: -104.600
tors. eta vs tors. theta energy: -164.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2066.375258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.375258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.375258 (E_RNA)
where:
Base-Base interactions energy: -1420.735
where: short stacking energy: -591.539
Base-Backbone interact. energy: -1.423
local terms energy: -644.216913
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -123.782
flat angles C4'-P-C4' energy: -139.673
flat angles P-C4'-P energy: -92.616
tors. eta vs tors. theta energy: -175.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1935.580051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.580051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.580051 (E_RNA)
where:
Base-Base interactions energy: -1314.519
where: short stacking energy: -566.567
Base-Backbone interact. energy: -4.326
local terms energy: -616.735522
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -131.441
flat angles C4'-P-C4' energy: -128.433
flat angles P-C4'-P energy: -83.439
tors. eta vs tors. theta energy: -151.809
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1822.834663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.834663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.834663 (E_RNA)
where:
Base-Base interactions energy: -1208.083
where: short stacking energy: -524.510
Base-Backbone interact. energy: -4.530
local terms energy: -610.221711
where:
bonds (distance) C4'-P energy: -108.940
bonds (distance) P-C4' energy: -122.389
flat angles C4'-P-C4' energy: -134.510
flat angles P-C4'-P energy: -95.323
tors. eta vs tors. theta energy: -149.060
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: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1728.836764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.836764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.836764 (E_RNA)
where:
Base-Base interactions energy: -1124.535
where: short stacking energy: -524.455
Base-Backbone interact. energy: -1.958
local terms energy: -602.343297
where:
bonds (distance) C4'-P energy: -123.027
bonds (distance) P-C4' energy: -130.098
flat angles C4'-P-C4' energy: -109.833
flat angles P-C4'-P energy: -77.666
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1551.376573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.376573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.376573 (E_RNA)
where:
Base-Base interactions energy: -1005.170
where: short stacking energy: -448.682
Base-Backbone interact. energy: -0.980
local terms energy: -545.226687
where:
bonds (distance) C4'-P energy: -109.327
bonds (distance) P-C4' energy: -112.729
flat angles C4'-P-C4' energy: -127.323
flat angles P-C4'-P energy: -81.116
tors. eta vs tors. theta energy: -114.731
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: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1326.341520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.341520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.341520 (E_RNA)
where:
Base-Base interactions energy: -809.665
where: short stacking energy: -370.412
Base-Backbone interact. energy: 2.154
local terms energy: -518.830213
where:
bonds (distance) C4'-P energy: -105.689
bonds (distance) P-C4' energy: -124.824
flat angles C4'-P-C4' energy: -114.313
flat angles P-C4'-P energy: -82.298
tors. eta vs tors. theta energy: -91.706
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: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1011.529704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.529704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.529704 (E_RNA)
where:
Base-Base interactions energy: -596.119
where: short stacking energy: -308.202
Base-Backbone interact. energy: 0.004
local terms energy: -415.414401
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -102.217
flat angles C4'-P-C4' energy: -114.859
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -45.710
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: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -702.173173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.173173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.173173 (E_RNA)
where:
Base-Base interactions energy: -364.635
where: short stacking energy: -201.242
Base-Backbone interact. energy: 8.069
local terms energy: -345.607499
where:
bonds (distance) C4'-P energy: -94.559
bonds (distance) P-C4' energy: -96.496
flat angles C4'-P-C4' energy: -102.086
flat angles P-C4'-P energy: -65.098
tors. eta vs tors. theta energy: 12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -519.939609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.939609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.939609 (E_RNA)
where:
Base-Base interactions energy: -161.899
where: short stacking energy: -138.653
Base-Backbone interact. energy: -2.384
local terms energy: -355.656767
where:
bonds (distance) C4'-P energy: -111.304
bonds (distance) P-C4' energy: -109.603
flat angles C4'-P-C4' energy: -81.725
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: 3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2104.289968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.289968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.289968 (E_RNA)
where:
Base-Base interactions energy: -1452.538
where: short stacking energy: -622.992
Base-Backbone interact. energy: -6.327
local terms energy: -645.425316
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -125.981
flat angles C4'-P-C4' energy: -144.901
flat angles P-C4'-P energy: -88.624
tors. eta vs tors. theta energy: -177.865
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: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2046.182372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.182372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.182372 (E_RNA)
where:
Base-Base interactions energy: -1423.543
where: short stacking energy: -594.805
Base-Backbone interact. energy: -0.713
local terms energy: -621.926196
where:
bonds (distance) C4'-P energy: -103.527
bonds (distance) P-C4' energy: -127.751
flat angles C4'-P-C4' energy: -133.307
flat angles P-C4'-P energy: -87.463
tors. eta vs tors. theta energy: -169.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1961.922867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.922867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.922867 (E_RNA)
where:
Base-Base interactions energy: -1347.238
where: short stacking energy: -554.660
Base-Backbone interact. energy: -3.666
local terms energy: -611.019235
where:
bonds (distance) C4'-P energy: -108.419
bonds (distance) P-C4' energy: -130.720
flat angles C4'-P-C4' energy: -143.248
flat angles P-C4'-P energy: -74.757
tors. eta vs tors. theta energy: -153.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1816.872816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.872816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.872816 (E_RNA)
where:
Base-Base interactions energy: -1254.494
where: short stacking energy: -527.389
Base-Backbone interact. energy: -0.900
local terms energy: -561.478952
where:
bonds (distance) C4'-P energy: -100.076
bonds (distance) P-C4' energy: -104.440
flat angles C4'-P-C4' energy: -135.664
flat angles P-C4'-P energy: -88.546
tors. eta vs tors. theta energy: -132.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1742.730420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.730420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.730420 (E_RNA)
where:
Base-Base interactions energy: -1183.066
where: short stacking energy: -513.116
Base-Backbone interact. energy: -3.895
local terms energy: -555.769702
where:
bonds (distance) C4'-P energy: -94.715
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -133.273
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -154.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1535.520709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.520709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.520709 (E_RNA)
where:
Base-Base interactions energy: -993.410
where: short stacking energy: -451.242
Base-Backbone interact. energy: 0.319
local terms energy: -542.429796
where:
bonds (distance) C4'-P energy: -102.134
bonds (distance) P-C4' energy: -118.542
flat angles C4'-P-C4' energy: -125.354
flat angles P-C4'-P energy: -87.248
tors. eta vs tors. theta energy: -109.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1341.137091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.137091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.137091 (E_RNA)
where:
Base-Base interactions energy: -850.415
where: short stacking energy: -395.067
Base-Backbone interact. energy: -0.149
local terms energy: -490.573366
where:
bonds (distance) C4'-P energy: -94.329
bonds (distance) P-C4' energy: -111.185
flat angles C4'-P-C4' energy: -116.231
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -90.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1023.968725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.968725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.968725 (E_RNA)
where:
Base-Base interactions energy: -632.420
where: short stacking energy: -294.213
Base-Backbone interact. energy: -0.646
local terms energy: -390.902421
where:
bonds (distance) C4'-P energy: -99.931
bonds (distance) P-C4' energy: -99.349
flat angles C4'-P-C4' energy: -101.025
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: -27.440
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -692.595236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.595236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.595236 (E_RNA)
where:
Base-Base interactions energy: -325.177
where: short stacking energy: -200.718
Base-Backbone interact. energy: 0.047
local terms energy: -367.464749
where:
bonds (distance) C4'-P energy: -108.701
bonds (distance) P-C4' energy: -126.615
flat angles C4'-P-C4' energy: -68.262
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -525.297454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.297454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.297454 (E_RNA)
where:
Base-Base interactions energy: -195.772
where: short stacking energy: -169.438
Base-Backbone interact. energy: 0.957
local terms energy: -330.482895
where:
bonds (distance) C4'-P energy: -108.567
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -50.533
tors. eta vs tors. theta energy: 7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2099.054407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.054407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.054407 (E_RNA)
where:
Base-Base interactions energy: -1470.692
where: short stacking energy: -605.255
Base-Backbone interact. energy: -3.126
local terms energy: -625.236593
where:
bonds (distance) C4'-P energy: -120.531
bonds (distance) P-C4' energy: -120.044
flat angles C4'-P-C4' energy: -137.433
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -170.652
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: 190
Temperature: 0.950000
Total energy: -2051.828283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.828283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.828283 (E_RNA)
where:
Base-Base interactions energy: -1395.798
where: short stacking energy: -603.052
Base-Backbone interact. energy: -5.117
local terms energy: -650.912868
where:
bonds (distance) C4'-P energy: -131.339
bonds (distance) P-C4' energy: -116.343
flat angles C4'-P-C4' energy: -145.887
flat angles P-C4'-P energy: -93.468
tors. eta vs tors. theta energy: -163.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1961.661246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.661246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.661246 (E_RNA)
where:
Base-Base interactions energy: -1346.699
where: short stacking energy: -554.086
Base-Backbone interact. energy: -3.868
local terms energy: -611.094592
where:
bonds (distance) C4'-P energy: -111.967
bonds (distance) P-C4' energy: -137.420
flat angles C4'-P-C4' energy: -136.429
flat angles P-C4'-P energy: -76.270
tors. eta vs tors. theta energy: -149.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1825.682886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.682886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.682886 (E_RNA)
where:
Base-Base interactions energy: -1247.139
where: short stacking energy: -541.558
Base-Backbone interact. energy: 0.098
local terms energy: -578.641363
where:
bonds (distance) C4'-P energy: -103.567
bonds (distance) P-C4' energy: -109.247
flat angles C4'-P-C4' energy: -137.254
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -144.176
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: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1759.689083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.689083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.689083 (E_RNA)
where:
Base-Base interactions energy: -1162.611
where: short stacking energy: -501.262
Base-Backbone interact. energy: 1.515
local terms energy: -598.593591
where:
bonds (distance) C4'-P energy: -104.529
bonds (distance) P-C4' energy: -127.465
flat angles C4'-P-C4' energy: -124.813
flat angles P-C4'-P energy: -98.534
tors. eta vs tors. theta energy: -143.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1489.202457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.202457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.202457 (E_RNA)
where:
Base-Base interactions energy: -944.495
where: short stacking energy: -423.141
Base-Backbone interact. energy: -3.667
local terms energy: -541.040423
where:
bonds (distance) C4'-P energy: -114.173
bonds (distance) P-C4' energy: -118.776
flat angles C4'-P-C4' energy: -125.322
flat angles P-C4'-P energy: -89.769
tors. eta vs tors. theta energy: -93.000
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: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1298.148281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.148281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.148281 (E_RNA)
where:
Base-Base interactions energy: -838.757
where: short stacking energy: -384.762
Base-Backbone interact. energy: -1.566
local terms energy: -457.825006
where:
bonds (distance) C4'-P energy: -113.632
bonds (distance) P-C4' energy: -105.791
flat angles C4'-P-C4' energy: -108.373
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: -84.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -971.476629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.476629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.476629 (E_RNA)
where:
Base-Base interactions energy: -559.002
where: short stacking energy: -280.217
Base-Backbone interact. energy: -2.289
local terms energy: -410.185357
where:
bonds (distance) C4'-P energy: -110.002
bonds (distance) P-C4' energy: -111.326
flat angles C4'-P-C4' energy: -88.713
flat angles P-C4'-P energy: -51.820
tors. eta vs tors. theta energy: -48.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -699.727388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.727388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.727388 (E_RNA)
where:
Base-Base interactions energy: -321.556
where: short stacking energy: -200.448
Base-Backbone interact. energy: 0.254
local terms energy: -378.425743
where:
bonds (distance) C4'-P energy: -116.082
bonds (distance) P-C4' energy: -126.367
flat angles C4'-P-C4' energy: -91.894
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: 5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -495.681178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.681178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.681178 (E_RNA)
where:
Base-Base interactions energy: -166.308
where: short stacking energy: -120.580
Base-Backbone interact. energy: 10.273
local terms energy: -339.645997
where:
bonds (distance) C4'-P energy: -107.518
bonds (distance) P-C4' energy: -108.343
flat angles C4'-P-C4' energy: -97.151
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: 20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2117.943949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.943949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.943949 (E_RNA)
where:
Base-Base interactions energy: -1434.578
where: short stacking energy: -608.377
Base-Backbone interact. energy: -2.140
local terms energy: -681.225215
where:
bonds (distance) C4'-P energy: -132.094
bonds (distance) P-C4' energy: -133.918
flat angles C4'-P-C4' energy: -145.367
flat angles P-C4'-P energy: -97.042
tors. eta vs tors. theta energy: -172.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2017.566129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.566129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.566129 (E_RNA)
where:
Base-Base interactions energy: -1402.554
where: short stacking energy: -575.628
Base-Backbone interact. energy: -2.823
local terms energy: -612.189189
where:
bonds (distance) C4'-P energy: -107.889
bonds (distance) P-C4' energy: -133.944
flat angles C4'-P-C4' energy: -131.335
flat angles P-C4'-P energy: -84.459
tors. eta vs tors. theta energy: -154.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1942.607224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.607224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.607224 (E_RNA)
where:
Base-Base interactions energy: -1336.999
where: short stacking energy: -564.758
Base-Backbone interact. energy: 1.435
local terms energy: -607.043258
where:
bonds (distance) C4'-P energy: -123.581
bonds (distance) P-C4' energy: -140.812
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -139.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1838.254806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.254806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.254806 (E_RNA)
where:
Base-Base interactions energy: -1261.124
where: short stacking energy: -557.077
Base-Backbone interact. energy: -6.485
local terms energy: -570.645675
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -116.132
flat angles C4'-P-C4' energy: -123.783
flat angles P-C4'-P energy: -83.435
tors. eta vs tors. theta energy: -147.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1751.186640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.186640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.186640 (E_RNA)
where:
Base-Base interactions energy: -1182.385
where: short stacking energy: -503.016
Base-Backbone interact. energy: 0.994
local terms energy: -569.796218
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -106.127
flat angles C4'-P-C4' energy: -119.137
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -156.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1508.846270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.846270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.846270 (E_RNA)
where:
Base-Base interactions energy: -986.019
where: short stacking energy: -432.303
Base-Backbone interact. energy: 0.091
local terms energy: -522.919119
where:
bonds (distance) C4'-P energy: -111.031
bonds (distance) P-C4' energy: -104.922
flat angles C4'-P-C4' energy: -120.470
flat angles P-C4'-P energy: -70.245
tors. eta vs tors. theta energy: -116.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1334.405332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.405332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.405332 (E_RNA)
where:
Base-Base interactions energy: -821.150
where: short stacking energy: -385.896
Base-Backbone interact. energy: -2.089
local terms energy: -511.165656
where:
bonds (distance) C4'-P energy: -98.861
bonds (distance) P-C4' energy: -126.387
flat angles C4'-P-C4' energy: -122.614
flat angles P-C4'-P energy: -77.960
tors. eta vs tors. theta energy: -85.344
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: 191
Temperature: 1.250000
Total energy: -957.795452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.795452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.795452 (E_RNA)
where:
Base-Base interactions energy: -567.890
where: short stacking energy: -287.282
Base-Backbone interact. energy: 1.093
local terms energy: -390.998544
where:
bonds (distance) C4'-P energy: -97.597
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -105.490
flat angles P-C4'-P energy: -54.603
tors. eta vs tors. theta energy: -33.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -722.688595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.688595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.688595 (E_RNA)
where:
Base-Base interactions energy: -387.933
where: short stacking energy: -257.416
Base-Backbone interact. energy: 0.047
local terms energy: -334.803403
where:
bonds (distance) C4'-P energy: -66.229
bonds (distance) P-C4' energy: -97.940
flat angles C4'-P-C4' energy: -106.587
flat angles P-C4'-P energy: -59.006
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -506.452651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.452651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.452651 (E_RNA)
where:
Base-Base interactions energy: -191.800
where: short stacking energy: -162.916
Base-Backbone interact. energy: 0.653
local terms energy: -315.305609
where:
bonds (distance) C4'-P energy: -86.949
bonds (distance) P-C4' energy: -88.109
flat angles C4'-P-C4' energy: -103.455
flat angles P-C4'-P energy: -50.534
tors. eta vs tors. theta energy: 13.741
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2103.462181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.462181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.462181 (E_RNA)
where:
Base-Base interactions energy: -1448.938
where: short stacking energy: -605.917
Base-Backbone interact. energy: 0.472
local terms energy: -654.996443
where:
bonds (distance) C4'-P energy: -128.370
bonds (distance) P-C4' energy: -126.498
flat angles C4'-P-C4' energy: -148.451
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -166.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2075.474544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.474544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.474544 (E_RNA)
where:
Base-Base interactions energy: -1420.661
where: short stacking energy: -582.655
Base-Backbone interact. energy: -1.519
local terms energy: -653.294586
where:
bonds (distance) C4'-P energy: -132.924
bonds (distance) P-C4' energy: -126.407
flat angles C4'-P-C4' energy: -133.744
flat angles P-C4'-P energy: -88.764
tors. eta vs tors. theta energy: -171.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1906.988376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.988376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.988376 (E_RNA)
where:
Base-Base interactions energy: -1334.060
where: short stacking energy: -539.252
Base-Backbone interact. energy: -6.415
local terms energy: -566.513594
where:
bonds (distance) C4'-P energy: -104.821
bonds (distance) P-C4' energy: -100.803
flat angles C4'-P-C4' energy: -144.504
flat angles P-C4'-P energy: -68.929
tors. eta vs tors. theta energy: -147.457
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: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1812.592565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.592565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.592565 (E_RNA)
where:
Base-Base interactions energy: -1213.870
where: short stacking energy: -514.304
Base-Backbone interact. energy: -0.723
local terms energy: -597.999490
where:
bonds (distance) C4'-P energy: -115.887
bonds (distance) P-C4' energy: -116.066
flat angles C4'-P-C4' energy: -122.622
flat angles P-C4'-P energy: -92.157
tors. eta vs tors. theta energy: -151.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1745.409176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.409176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.409176 (E_RNA)
where:
Base-Base interactions energy: -1167.621
where: short stacking energy: -506.923
Base-Backbone interact. energy: -1.283
local terms energy: -576.505347
where:
bonds (distance) C4'-P energy: -108.934
bonds (distance) P-C4' energy: -99.766
flat angles C4'-P-C4' energy: -127.576
flat angles P-C4'-P energy: -93.547
tors. eta vs tors. theta energy: -146.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1495.689771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.689771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.689771 (E_RNA)
where:
Base-Base interactions energy: -971.388
where: short stacking energy: -442.844
Base-Backbone interact. energy: -2.790
local terms energy: -521.511971
where:
bonds (distance) C4'-P energy: -92.541
bonds (distance) P-C4' energy: -107.384
flat angles C4'-P-C4' energy: -133.140
flat angles P-C4'-P energy: -78.427
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: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1309.451599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.451599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.451599 (E_RNA)
where:
Base-Base interactions energy: -853.868
where: short stacking energy: -407.386
Base-Backbone interact. energy: -3.147
local terms energy: -452.436076
where:
bonds (distance) C4'-P energy: -98.060
bonds (distance) P-C4' energy: -88.898
flat angles C4'-P-C4' energy: -109.355
flat angles P-C4'-P energy: -82.444
tors. eta vs tors. theta energy: -73.679
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: 192
Temperature: 1.250000
Total energy: -1012.263342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.263342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.263342 (E_RNA)
where:
Base-Base interactions energy: -599.826
where: short stacking energy: -304.701
Base-Backbone interact. energy: -0.099
local terms energy: -412.338460
where:
bonds (distance) C4'-P energy: -108.650
bonds (distance) P-C4' energy: -105.682
flat angles C4'-P-C4' energy: -103.104
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -33.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -716.447331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.447331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.447331 (E_RNA)
where:
Base-Base interactions energy: -351.102
where: short stacking energy: -196.055
Base-Backbone interact. energy: 8.551
local terms energy: -373.896912
where:
bonds (distance) C4'-P energy: -109.923
bonds (distance) P-C4' energy: -104.978
flat angles C4'-P-C4' energy: -99.703
flat angles P-C4'-P energy: -60.770
tors. eta vs tors. theta energy: 1.478
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: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -519.320710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.320710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.320710 (E_RNA)
where:
Base-Base interactions energy: -201.150
where: short stacking energy: -183.809
Base-Backbone interact. energy: -3.199
local terms energy: -314.971538
where:
bonds (distance) C4'-P energy: -73.039
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -101.172
flat angles P-C4'-P energy: -63.809
tors. eta vs tors. theta energy: 19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2104.913472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.913472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.913472 (E_RNA)
where:
Base-Base interactions energy: -1450.223
where: short stacking energy: -625.403
Base-Backbone interact. energy: -3.884
local terms energy: -650.806419
where:
bonds (distance) C4'-P energy: -120.155
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -135.572
flat angles P-C4'-P energy: -86.254
tors. eta vs tors. theta energy: -173.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2054.083119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.083119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.083119 (E_RNA)
where:
Base-Base interactions energy: -1422.055
where: short stacking energy: -592.828
Base-Backbone interact. energy: -1.312
local terms energy: -630.715427
where:
bonds (distance) C4'-P energy: -107.369
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -141.637
flat angles P-C4'-P energy: -81.531
tors. eta vs tors. theta energy: -170.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1924.261791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.261791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.261791 (E_RNA)
where:
Base-Base interactions energy: -1308.027
where: short stacking energy: -568.927
Base-Backbone interact. energy: -3.048
local terms energy: -613.187160
where:
bonds (distance) C4'-P energy: -132.037
bonds (distance) P-C4' energy: -135.539
flat angles C4'-P-C4' energy: -127.175
flat angles P-C4'-P energy: -73.060
tors. eta vs tors. theta energy: -145.376
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: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1799.589197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.589197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.589197 (E_RNA)
where:
Base-Base interactions energy: -1186.756
where: short stacking energy: -528.798
Base-Backbone interact. energy: -2.063
local terms energy: -610.769614
where:
bonds (distance) C4'-P energy: -107.667
bonds (distance) P-C4' energy: -122.840
flat angles C4'-P-C4' energy: -137.294
flat angles P-C4'-P energy: -77.750
tors. eta vs tors. theta energy: -165.219
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: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1716.521330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.521330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.521330 (E_RNA)
where:
Base-Base interactions energy: -1188.194
where: short stacking energy: -496.437
Base-Backbone interact. energy: -3.141
local terms energy: -525.186755
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -107.925
flat angles C4'-P-C4' energy: -99.881
flat angles P-C4'-P energy: -69.823
tors. eta vs tors. theta energy: -133.848
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: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1513.954105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.954105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.954105 (E_RNA)
where:
Base-Base interactions energy: -984.922
where: short stacking energy: -479.328
Base-Backbone interact. energy: -2.402
local terms energy: -526.630183
where:
bonds (distance) C4'-P energy: -102.247
bonds (distance) P-C4' energy: -113.009
flat angles C4'-P-C4' energy: -104.134
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -119.923
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: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1322.829113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.829113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.829113 (E_RNA)
where:
Base-Base interactions energy: -826.794
where: short stacking energy: -369.300
Base-Backbone interact. energy: -1.283
local terms energy: -494.751416
where:
bonds (distance) C4'-P energy: -109.553
bonds (distance) P-C4' energy: -106.160
flat angles C4'-P-C4' energy: -116.803
flat angles P-C4'-P energy: -83.499
tors. eta vs tors. theta energy: -78.737
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: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -947.580689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.580689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.580689 (E_RNA)
where:
Base-Base interactions energy: -553.314
where: short stacking energy: -274.059
Base-Backbone interact. energy: -0.518
local terms energy: -393.749296
where:
bonds (distance) C4'-P energy: -125.766
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -90.486
flat angles P-C4'-P energy: -57.460
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -692.869440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.869440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.869440 (E_RNA)
where:
Base-Base interactions energy: -342.776
where: short stacking energy: -202.112
Base-Backbone interact. energy: -2.829
local terms energy: -347.264519
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -114.004
flat angles C4'-P-C4' energy: -93.289
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: 6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -529.322758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.322758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.322758 (E_RNA)
where:
Base-Base interactions energy: -231.276
where: short stacking energy: -176.171
Base-Backbone interact. energy: 4.968
local terms energy: -303.014637
where:
bonds (distance) C4'-P energy: -99.369
bonds (distance) P-C4' energy: -110.508
flat angles C4'-P-C4' energy: -85.209
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: 20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2093.294579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.294579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.294579 (E_RNA)
where:
Base-Base interactions energy: -1440.958
where: short stacking energy: -628.112
Base-Backbone interact. energy: 6.307
local terms energy: -658.643855
where:
bonds (distance) C4'-P energy: -112.653
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -154.469
flat angles P-C4'-P energy: -94.796
tors. eta vs tors. theta energy: -169.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2096.894609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.894609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.894609 (E_RNA)
where:
Base-Base interactions energy: -1460.769
where: short stacking energy: -601.139
Base-Backbone interact. energy: -2.326
local terms energy: -633.799730
where:
bonds (distance) C4'-P energy: -112.344
bonds (distance) P-C4' energy: -121.942
flat angles C4'-P-C4' energy: -140.628
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -168.392
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: 194
Temperature: 1.000000
Total energy: -1878.238925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.238925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.238925 (E_RNA)
where:
Base-Base interactions energy: -1285.137
where: short stacking energy: -540.653
Base-Backbone interact. energy: -2.620
local terms energy: -590.482120
where:
bonds (distance) C4'-P energy: -118.999
bonds (distance) P-C4' energy: -105.794
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -87.745
tors. eta vs tors. theta energy: -148.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1828.991956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.991956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.991956 (E_RNA)
where:
Base-Base interactions energy: -1223.426
where: short stacking energy: -555.797
Base-Backbone interact. energy: 0.853
local terms energy: -606.419262
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -130.614
flat angles C4'-P-C4' energy: -130.080
flat angles P-C4'-P energy: -72.820
tors. eta vs tors. theta energy: -157.142
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1753.463139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.463139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.463139 (E_RNA)
where:
Base-Base interactions energy: -1213.869
where: short stacking energy: -510.927
Base-Backbone interact. energy: -2.410
local terms energy: -537.184185
where:
bonds (distance) C4'-P energy: -106.832
bonds (distance) P-C4' energy: -104.358
flat angles C4'-P-C4' energy: -114.684
flat angles P-C4'-P energy: -68.804
tors. eta vs tors. theta energy: -142.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1501.165645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.165645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.165645 (E_RNA)
where:
Base-Base interactions energy: -958.203
where: short stacking energy: -464.136
Base-Backbone interact. energy: -2.196
local terms energy: -540.767109
where:
bonds (distance) C4'-P energy: -121.296
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -120.674
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: -117.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1301.414866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.414866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.414866 (E_RNA)
where:
Base-Base interactions energy: -801.693
where: short stacking energy: -369.876
Base-Backbone interact. energy: -1.920
local terms energy: -497.802113
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -108.742
flat angles C4'-P-C4' energy: -112.276
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -93.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1011.655763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.655763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.655763 (E_RNA)
where:
Base-Base interactions energy: -622.370
where: short stacking energy: -276.962
Base-Backbone interact. energy: 1.043
local terms energy: -390.328243
where:
bonds (distance) C4'-P energy: -117.470
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -87.297
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -36.873
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: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -730.892143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.892143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.892143 (E_RNA)
where:
Base-Base interactions energy: -338.107
where: short stacking energy: -192.389
Base-Backbone interact. energy: 1.184
local terms energy: -393.968647
where:
bonds (distance) C4'-P energy: -112.741
bonds (distance) P-C4' energy: -110.447
flat angles C4'-P-C4' energy: -89.253
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -561.445881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.445881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.445881 (E_RNA)
where:
Base-Base interactions energy: -232.917
where: short stacking energy: -161.359
Base-Backbone interact. energy: 0.243
local terms energy: -328.772076
where:
bonds (distance) C4'-P energy: -97.471
bonds (distance) P-C4' energy: -102.743
flat angles C4'-P-C4' energy: -87.161
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: 7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2140.677413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.677413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.677413 (E_RNA)
where:
Base-Base interactions energy: -1494.440
where: short stacking energy: -620.252
Base-Backbone interact. energy: -4.104
local terms energy: -642.133857
where:
bonds (distance) C4'-P energy: -121.752
bonds (distance) P-C4' energy: -130.152
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -89.972
tors. eta vs tors. theta energy: -168.331
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: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2046.632443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.632443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.632443 (E_RNA)
where:
Base-Base interactions energy: -1407.198
where: short stacking energy: -597.797
Base-Backbone interact. energy: -3.270
local terms energy: -636.164659
where:
bonds (distance) C4'-P energy: -125.597
bonds (distance) P-C4' energy: -112.932
flat angles C4'-P-C4' energy: -138.868
flat angles P-C4'-P energy: -80.017
tors. eta vs tors. theta energy: -178.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1891.961745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.961745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.961745 (E_RNA)
where:
Base-Base interactions energy: -1284.585
where: short stacking energy: -550.214
Base-Backbone interact. energy: -1.481
local terms energy: -605.895416
where:
bonds (distance) C4'-P energy: -111.423
bonds (distance) P-C4' energy: -123.750
flat angles C4'-P-C4' energy: -137.858
flat angles P-C4'-P energy: -77.976
tors. eta vs tors. theta energy: -154.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1783.681543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.681543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.681543 (E_RNA)
where:
Base-Base interactions energy: -1166.532
where: short stacking energy: -550.662
Base-Backbone interact. energy: -1.352
local terms energy: -615.797922
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -121.290
flat angles C4'-P-C4' energy: -130.985
flat angles P-C4'-P energy: -92.445
tors. eta vs tors. theta energy: -164.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1708.368505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.368505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.368505 (E_RNA)
where:
Base-Base interactions energy: -1143.130
where: short stacking energy: -476.241
Base-Backbone interact. energy: -2.779
local terms energy: -562.459840
where:
bonds (distance) C4'-P energy: -107.915
bonds (distance) P-C4' energy: -110.077
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -135.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1503.954933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.954933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.954933 (E_RNA)
where:
Base-Base interactions energy: -979.487
where: short stacking energy: -470.345
Base-Backbone interact. energy: 0.348
local terms energy: -524.816502
where:
bonds (distance) C4'-P energy: -115.949
bonds (distance) P-C4' energy: -114.024
flat angles C4'-P-C4' energy: -119.280
flat angles P-C4'-P energy: -60.118
tors. eta vs tors. theta energy: -115.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1299.774161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.774161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.774161 (E_RNA)
where:
Base-Base interactions energy: -807.628
where: short stacking energy: -373.085
Base-Backbone interact. energy: -0.645
local terms energy: -491.501546
where:
bonds (distance) C4'-P energy: -93.064
bonds (distance) P-C4' energy: -114.246
flat angles C4'-P-C4' energy: -124.660
flat angles P-C4'-P energy: -70.273
tors. eta vs tors. theta energy: -89.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -967.395308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.395308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.395308 (E_RNA)
where:
Base-Base interactions energy: -557.599
where: short stacking energy: -291.579
Base-Backbone interact. energy: 1.619
local terms energy: -411.415720
where:
bonds (distance) C4'-P energy: -96.007
bonds (distance) P-C4' energy: -97.673
flat angles C4'-P-C4' energy: -115.944
flat angles P-C4'-P energy: -63.589
tors. eta vs tors. theta energy: -38.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -787.884953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.884953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.884953 (E_RNA)
where:
Base-Base interactions energy: -417.569
where: short stacking energy: -235.163
Base-Backbone interact. energy: -3.298
local terms energy: -367.018407
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -93.200
flat angles C4'-P-C4' energy: -75.679
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -486.344174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.344174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.344174 (E_RNA)
where:
Base-Base interactions energy: -166.687
where: short stacking energy: -138.985
Base-Backbone interact. energy: 3.852
local terms energy: -323.509178
where:
bonds (distance) C4'-P energy: -102.980
bonds (distance) P-C4' energy: -92.479
flat angles C4'-P-C4' energy: -91.208
flat angles P-C4'-P energy: -60.671
tors. eta vs tors. theta energy: 23.828
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: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2142.453831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.453831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.453831 (E_RNA)
where:
Base-Base interactions energy: -1475.684
where: short stacking energy: -605.755
Base-Backbone interact. energy: -6.485
local terms energy: -660.284927
where:
bonds (distance) C4'-P energy: -125.341
bonds (distance) P-C4' energy: -136.929
flat angles C4'-P-C4' energy: -134.469
flat angles P-C4'-P energy: -101.052
tors. eta vs tors. theta energy: -162.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2053.055749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.055749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.055749 (E_RNA)
where:
Base-Base interactions energy: -1409.876
where: short stacking energy: -593.091
Base-Backbone interact. energy: -3.411
local terms energy: -639.768415
where:
bonds (distance) C4'-P energy: -116.372
bonds (distance) P-C4' energy: -116.557
flat angles C4'-P-C4' energy: -142.027
flat angles P-C4'-P energy: -93.611
tors. eta vs tors. theta energy: -171.202
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: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1932.487962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.487962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.487962 (E_RNA)
where:
Base-Base interactions energy: -1320.644
where: short stacking energy: -575.794
Base-Backbone interact. energy: -4.268
local terms energy: -607.576056
where:
bonds (distance) C4'-P energy: -118.962
bonds (distance) P-C4' energy: -121.512
flat angles C4'-P-C4' energy: -136.412
flat angles P-C4'-P energy: -83.289
tors. eta vs tors. theta energy: -147.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1810.547400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.547400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.547400 (E_RNA)
where:
Base-Base interactions energy: -1206.671
where: short stacking energy: -570.359
Base-Backbone interact. energy: -2.950
local terms energy: -600.927280
where:
bonds (distance) C4'-P energy: -118.136
bonds (distance) P-C4' energy: -116.509
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -72.061
tors. eta vs tors. theta energy: -164.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1731.738170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.738170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.738170 (E_RNA)
where:
Base-Base interactions energy: -1137.033
where: short stacking energy: -512.944
Base-Backbone interact. energy: -0.216
local terms energy: -594.489598
where:
bonds (distance) C4'-P energy: -125.677
bonds (distance) P-C4' energy: -106.925
flat angles C4'-P-C4' energy: -140.495
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -141.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1460.449330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.449330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.449330 (E_RNA)
where:
Base-Base interactions energy: -956.759
where: short stacking energy: -442.836
Base-Backbone interact. energy: -1.510
local terms energy: -502.180956
where:
bonds (distance) C4'-P energy: -108.957
bonds (distance) P-C4' energy: -114.195
flat angles C4'-P-C4' energy: -109.113
flat angles P-C4'-P energy: -67.181
tors. eta vs tors. theta energy: -102.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1291.380402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.380402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.380402 (E_RNA)
where:
Base-Base interactions energy: -800.531
where: short stacking energy: -364.774
Base-Backbone interact. energy: -1.503
local terms energy: -489.347066
where:
bonds (distance) C4'-P energy: -101.248
bonds (distance) P-C4' energy: -108.732
flat angles C4'-P-C4' energy: -111.739
flat angles P-C4'-P energy: -68.321
tors. eta vs tors. theta energy: -99.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -979.123955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.123955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.123955 (E_RNA)
where:
Base-Base interactions energy: -555.481
where: short stacking energy: -296.276
Base-Backbone interact. energy: -1.948
local terms energy: -421.694602
where:
bonds (distance) C4'-P energy: -93.389
bonds (distance) P-C4' energy: -110.781
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -57.227
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: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -834.487160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.487160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.487160 (E_RNA)
where:
Base-Base interactions energy: -439.208
where: short stacking energy: -242.795
Base-Backbone interact. energy: -0.061
local terms energy: -395.218227
where:
bonds (distance) C4'-P energy: -114.183
bonds (distance) P-C4' energy: -111.008
flat angles C4'-P-C4' energy: -94.728
flat angles P-C4'-P energy: -43.423
tors. eta vs tors. theta energy: -31.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -488.232478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.232478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.232478 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -152.975
Base-Backbone interact. energy: 2.054
local terms energy: -315.688892
where:
bonds (distance) C4'-P energy: -114.827
bonds (distance) P-C4' energy: -84.557
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: 15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2096.565422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.565422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.565422 (E_RNA)
where:
Base-Base interactions energy: -1425.079
where: short stacking energy: -603.881
Base-Backbone interact. energy: -2.006
local terms energy: -669.480650
where:
bonds (distance) C4'-P energy: -125.391
bonds (distance) P-C4' energy: -133.895
flat angles C4'-P-C4' energy: -142.719
flat angles P-C4'-P energy: -103.510
tors. eta vs tors. theta energy: -163.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2024.854177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.854177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.854177 (E_RNA)
where:
Base-Base interactions energy: -1364.757
where: short stacking energy: -576.815
Base-Backbone interact. energy: -6.401
local terms energy: -653.696540
where:
bonds (distance) C4'-P energy: -127.612
bonds (distance) P-C4' energy: -123.812
flat angles C4'-P-C4' energy: -134.605
flat angles P-C4'-P energy: -98.813
tors. eta vs tors. theta energy: -168.855
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: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1932.830055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.830055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.830055 (E_RNA)
where:
Base-Base interactions energy: -1325.274
where: short stacking energy: -593.511
Base-Backbone interact. energy: -4.230
local terms energy: -603.326273
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -113.135
flat angles C4'-P-C4' energy: -129.112
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -157.890
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: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1797.329993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.329993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.329993 (E_RNA)
where:
Base-Base interactions energy: -1181.914
where: short stacking energy: -538.309
Base-Backbone interact. energy: -1.033
local terms energy: -614.383263
where:
bonds (distance) C4'-P energy: -127.432
bonds (distance) P-C4' energy: -111.862
flat angles C4'-P-C4' energy: -131.346
flat angles P-C4'-P energy: -79.353
tors. eta vs tors. theta energy: -164.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1731.746596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.746596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.746596 (E_RNA)
where:
Base-Base interactions energy: -1167.745
where: short stacking energy: -510.780
Base-Backbone interact. energy: -3.274
local terms energy: -560.727827
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -108.641
flat angles C4'-P-C4' energy: -116.469
flat angles P-C4'-P energy: -84.646
tors. eta vs tors. theta energy: -139.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1402.289271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.289271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.289271 (E_RNA)
where:
Base-Base interactions energy: -918.783
where: short stacking energy: -417.212
Base-Backbone interact. energy: -1.923
local terms energy: -481.583451
where:
bonds (distance) C4'-P energy: -98.386
bonds (distance) P-C4' energy: -109.144
flat angles C4'-P-C4' energy: -109.840
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -93.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1326.361736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.361736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.361736 (E_RNA)
where:
Base-Base interactions energy: -824.321
where: short stacking energy: -377.658
Base-Backbone interact. energy: 4.801
local terms energy: -506.841557
where:
bonds (distance) C4'-P energy: -116.993
bonds (distance) P-C4' energy: -102.738
flat angles C4'-P-C4' energy: -127.437
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -86.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1019.869584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.869584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.869584 (E_RNA)
where:
Base-Base interactions energy: -610.466
where: short stacking energy: -302.358
Base-Backbone interact. energy: 0.246
local terms energy: -409.649983
where:
bonds (distance) C4'-P energy: -101.833
bonds (distance) P-C4' energy: -113.732
flat angles C4'-P-C4' energy: -105.413
flat angles P-C4'-P energy: -56.139
tors. eta vs tors. theta energy: -32.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -835.863206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.863206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.863206 (E_RNA)
where:
Base-Base interactions energy: -426.794
where: short stacking energy: -217.051
Base-Backbone interact. energy: -0.141
local terms energy: -408.927660
where:
bonds (distance) C4'-P energy: -108.320
bonds (distance) P-C4' energy: -112.687
flat angles C4'-P-C4' energy: -112.218
flat angles P-C4'-P energy: -58.807
tors. eta vs tors. theta energy: -16.895
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: 197
Temperature: 1.350000
Total energy: -491.670322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.670322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.670322 (E_RNA)
where:
Base-Base interactions energy: -168.367
where: short stacking energy: -136.742
Base-Backbone interact. energy: -0.153
local terms energy: -323.150716
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -107.347
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -53.546
tors. eta vs tors. theta energy: 21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2104.069759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.069759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.069759 (E_RNA)
where:
Base-Base interactions energy: -1438.826
where: short stacking energy: -579.069
Base-Backbone interact. energy: -5.009
local terms energy: -660.235492
where:
bonds (distance) C4'-P energy: -122.227
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -133.599
flat angles P-C4'-P energy: -105.925
tors. eta vs tors. theta energy: -162.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2048.184201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.184201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.184201 (E_RNA)
where:
Base-Base interactions energy: -1397.615
where: short stacking energy: -612.199
Base-Backbone interact. energy: -0.934
local terms energy: -649.635615
where:
bonds (distance) C4'-P energy: -125.042
bonds (distance) P-C4' energy: -124.149
flat angles C4'-P-C4' energy: -138.459
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -178.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1910.665161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.665161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.665161 (E_RNA)
where:
Base-Base interactions energy: -1316.991
where: short stacking energy: -550.330
Base-Backbone interact. energy: -1.880
local terms energy: -591.793605
where:
bonds (distance) C4'-P energy: -109.507
bonds (distance) P-C4' energy: -126.772
flat angles C4'-P-C4' energy: -123.025
flat angles P-C4'-P energy: -85.776
tors. eta vs tors. theta energy: -146.713
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: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1847.739860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.739860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.739860 (E_RNA)
where:
Base-Base interactions energy: -1248.823
where: short stacking energy: -548.309
Base-Backbone interact. energy: -1.343
local terms energy: -597.574596
where:
bonds (distance) C4'-P energy: -114.101
bonds (distance) P-C4' energy: -114.720
flat angles C4'-P-C4' energy: -135.614
flat angles P-C4'-P energy: -68.719
tors. eta vs tors. theta energy: -164.420
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: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1726.857111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.857111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.857111 (E_RNA)
where:
Base-Base interactions energy: -1150.956
where: short stacking energy: -515.005
Base-Backbone interact. energy: -1.244
local terms energy: -574.656650
where:
bonds (distance) C4'-P energy: -95.111
bonds (distance) P-C4' energy: -121.529
flat angles C4'-P-C4' energy: -128.487
flat angles P-C4'-P energy: -96.801
tors. eta vs tors. theta energy: -132.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1491.780622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.780622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.780622 (E_RNA)
where:
Base-Base interactions energy: -940.712
where: short stacking energy: -440.960
Base-Backbone interact. energy: -1.994
local terms energy: -549.073637
where:
bonds (distance) C4'-P energy: -109.311
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -129.403
flat angles P-C4'-P energy: -83.117
tors. eta vs tors. theta energy: -114.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1338.171877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.171877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.171877 (E_RNA)
where:
Base-Base interactions energy: -855.447
where: short stacking energy: -396.594
Base-Backbone interact. energy: -2.176
local terms energy: -480.549501
where:
bonds (distance) C4'-P energy: -112.178
bonds (distance) P-C4' energy: -120.886
flat angles C4'-P-C4' energy: -103.546
flat angles P-C4'-P energy: -54.885
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: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1041.456106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.456106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.456106 (E_RNA)
where:
Base-Base interactions energy: -646.226
where: short stacking energy: -301.652
Base-Backbone interact. energy: 1.763
local terms energy: -396.992819
where:
bonds (distance) C4'-P energy: -85.994
bonds (distance) P-C4' energy: -109.638
flat angles C4'-P-C4' energy: -109.717
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -43.200
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: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -813.803862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.803862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.803862 (E_RNA)
where:
Base-Base interactions energy: -433.069
where: short stacking energy: -240.407
Base-Backbone interact. energy: 5.455
local terms energy: -386.190329
where:
bonds (distance) C4'-P energy: -100.084
bonds (distance) P-C4' energy: -102.068
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -64.012
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -498.264260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.264260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.264260 (E_RNA)
where:
Base-Base interactions energy: -188.159
where: short stacking energy: -159.309
Base-Backbone interact. energy: 1.099
local terms energy: -311.203973
where:
bonds (distance) C4'-P energy: -108.928
bonds (distance) P-C4' energy: -92.080
flat angles C4'-P-C4' energy: -91.757
flat angles P-C4'-P energy: -44.941
tors. eta vs tors. theta energy: 26.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2100.201459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.201459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.201459 (E_RNA)
where:
Base-Base interactions energy: -1441.679
where: short stacking energy: -627.000
Base-Backbone interact. energy: -1.027
local terms energy: -657.495219
where:
bonds (distance) C4'-P energy: -124.377
bonds (distance) P-C4' energy: -131.573
flat angles C4'-P-C4' energy: -139.880
flat angles P-C4'-P energy: -95.699
tors. eta vs tors. theta energy: -165.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2039.506688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.506688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.506688 (E_RNA)
where:
Base-Base interactions energy: -1353.915
where: short stacking energy: -589.489
Base-Backbone interact. energy: -2.299
local terms energy: -683.292391
where:
bonds (distance) C4'-P energy: -124.851
bonds (distance) P-C4' energy: -142.910
flat angles C4'-P-C4' energy: -149.485
flat angles P-C4'-P energy: -97.505
tors. eta vs tors. theta energy: -168.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1942.253795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.253795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.253795 (E_RNA)
where:
Base-Base interactions energy: -1332.064
where: short stacking energy: -598.970
Base-Backbone interact. energy: 0.711
local terms energy: -610.900700
where:
bonds (distance) C4'-P energy: -113.836
bonds (distance) P-C4' energy: -119.917
flat angles C4'-P-C4' energy: -128.417
flat angles P-C4'-P energy: -85.545
tors. eta vs tors. theta energy: -163.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1825.041168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.041168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.041168 (E_RNA)
where:
Base-Base interactions energy: -1211.819
where: short stacking energy: -543.142
Base-Backbone interact. energy: 1.752
local terms energy: -614.975084
where:
bonds (distance) C4'-P energy: -118.938
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -127.642
flat angles P-C4'-P energy: -84.688
tors. eta vs tors. theta energy: -165.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1758.805841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.805841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.805841 (E_RNA)
where:
Base-Base interactions energy: -1201.570
where: short stacking energy: -509.544
Base-Backbone interact. energy: 6.230
local terms energy: -563.466045
where:
bonds (distance) C4'-P energy: -101.183
bonds (distance) P-C4' energy: -103.515
flat angles C4'-P-C4' energy: -142.600
flat angles P-C4'-P energy: -83.555
tors. eta vs tors. theta energy: -132.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1498.122720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.122720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.122720 (E_RNA)
where:
Base-Base interactions energy: -956.496
where: short stacking energy: -464.845
Base-Backbone interact. energy: -1.792
local terms energy: -539.834917
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -111.736
flat angles C4'-P-C4' energy: -117.133
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -119.158
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: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1249.106798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.106798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.106798 (E_RNA)
where:
Base-Base interactions energy: -759.895
where: short stacking energy: -365.917
Base-Backbone interact. energy: -0.364
local terms energy: -488.848619
where:
bonds (distance) C4'-P energy: -109.571
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -75.447
tors. eta vs tors. theta energy: -82.813
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: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1034.108139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.108139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.108139 (E_RNA)
where:
Base-Base interactions energy: -617.753
where: short stacking energy: -277.527
Base-Backbone interact. energy: -1.133
local terms energy: -415.222524
where:
bonds (distance) C4'-P energy: -110.199
bonds (distance) P-C4' energy: -101.252
flat angles C4'-P-C4' energy: -101.439
flat angles P-C4'-P energy: -47.454
tors. eta vs tors. theta energy: -54.879
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -862.156982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.156982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.156982 (E_RNA)
where:
Base-Base interactions energy: -476.054
where: short stacking energy: -282.815
Base-Backbone interact. energy: -0.896
local terms energy: -385.207169
where:
bonds (distance) C4'-P energy: -92.061
bonds (distance) P-C4' energy: -111.370
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -25.683
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: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -531.879302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.879302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.879302 (E_RNA)
where:
Base-Base interactions energy: -217.510
where: short stacking energy: -156.385
Base-Backbone interact. energy: 0.098
local terms energy: -314.467696
where:
bonds (distance) C4'-P energy: -106.233
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -53.928
tors. eta vs tors. theta energy: 31.483
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: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2123.159133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.159133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.159133 (E_RNA)
where:
Base-Base interactions energy: -1464.509
where: short stacking energy: -629.149
Base-Backbone interact. energy: -0.724
local terms energy: -657.926331
where:
bonds (distance) C4'-P energy: -114.986
bonds (distance) P-C4' energy: -143.033
flat angles C4'-P-C4' energy: -138.964
flat angles P-C4'-P energy: -86.196
tors. eta vs tors. theta energy: -174.748
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: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2023.256933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.256933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.256933 (E_RNA)
where:
Base-Base interactions energy: -1379.107
where: short stacking energy: -578.696
Base-Backbone interact. energy: -5.128
local terms energy: -639.021045
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -122.600
flat angles C4'-P-C4' energy: -145.771
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -163.016
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: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1926.072488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.072488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.072488 (E_RNA)
where:
Base-Base interactions energy: -1328.517
where: short stacking energy: -564.576
Base-Backbone interact. energy: -1.188
local terms energy: -596.367641
where:
bonds (distance) C4'-P energy: -122.377
bonds (distance) P-C4' energy: -127.970
flat angles C4'-P-C4' energy: -141.860
flat angles P-C4'-P energy: -58.411
tors. eta vs tors. theta energy: -145.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1794.218190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.218190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.218190 (E_RNA)
where:
Base-Base interactions energy: -1200.803
where: short stacking energy: -550.902
Base-Backbone interact. energy: -1.679
local terms energy: -591.736808
where:
bonds (distance) C4'-P energy: -108.392
bonds (distance) P-C4' energy: -104.094
flat angles C4'-P-C4' energy: -125.325
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -163.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1707.873998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.873998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.873998 (E_RNA)
where:
Base-Base interactions energy: -1131.322
where: short stacking energy: -497.186
Base-Backbone interact. energy: -3.719
local terms energy: -572.832730
where:
bonds (distance) C4'-P energy: -107.439
bonds (distance) P-C4' energy: -124.093
flat angles C4'-P-C4' energy: -121.755
flat angles P-C4'-P energy: -94.280
tors. eta vs tors. theta energy: -125.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1449.183379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.183379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.183379 (E_RNA)
where:
Base-Base interactions energy: -923.371
where: short stacking energy: -423.956
Base-Backbone interact. energy: 1.982
local terms energy: -527.794623
where:
bonds (distance) C4'-P energy: -104.719
bonds (distance) P-C4' energy: -114.582
flat angles C4'-P-C4' energy: -116.290
flat angles P-C4'-P energy: -88.260
tors. eta vs tors. theta energy: -103.944
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: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1285.720133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.720133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.720133 (E_RNA)
where:
Base-Base interactions energy: -811.013
where: short stacking energy: -358.103
Base-Backbone interact. energy: -3.382
local terms energy: -471.324865
where:
bonds (distance) C4'-P energy: -116.737
bonds (distance) P-C4' energy: -98.163
flat angles C4'-P-C4' energy: -108.800
flat angles P-C4'-P energy: -76.574
tors. eta vs tors. theta energy: -71.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1040.470812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.470812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.470812 (E_RNA)
where:
Base-Base interactions energy: -630.106
where: short stacking energy: -339.727
Base-Backbone interact. energy: 3.093
local terms energy: -413.457880
where:
bonds (distance) C4'-P energy: -119.898
bonds (distance) P-C4' energy: -92.181
flat angles C4'-P-C4' energy: -97.180
flat angles P-C4'-P energy: -54.090
tors. eta vs tors. theta energy: -50.110
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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -798.432660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.432660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.432660 (E_RNA)
where:
Base-Base interactions energy: -409.210
where: short stacking energy: -230.470
Base-Backbone interact. energy: -0.676
local terms energy: -388.545980
where:
bonds (distance) C4'-P energy: -99.222
bonds (distance) P-C4' energy: -98.518
flat angles C4'-P-C4' energy: -111.625
flat angles P-C4'-P energy: -69.297
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -530.199729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.199729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.199729 (E_RNA)
where:
Base-Base interactions energy: -220.460
where: short stacking energy: -151.502
Base-Backbone interact. energy: 3.115
local terms energy: -312.855275
where:
bonds (distance) C4'-P energy: -93.409
bonds (distance) P-C4' energy: -95.808
flat angles C4'-P-C4' energy: -77.404
flat angles P-C4'-P energy: -65.029
tors. eta vs tors. theta energy: 18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2141.291309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.291309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.291309 (E_RNA)
where:
Base-Base interactions energy: -1479.735
where: short stacking energy: -620.699
Base-Backbone interact. energy: -3.616
local terms energy: -657.940328
where:
bonds (distance) C4'-P energy: -106.434
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -146.301
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -174.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2049.208281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.208281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.208281 (E_RNA)
where:
Base-Base interactions energy: -1409.073
where: short stacking energy: -611.025
Base-Backbone interact. energy: -2.749
local terms energy: -637.386238
where:
bonds (distance) C4'-P energy: -113.495
bonds (distance) P-C4' energy: -121.162
flat angles C4'-P-C4' energy: -143.098
flat angles P-C4'-P energy: -79.616
tors. eta vs tors. theta energy: -180.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1879.128854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.128854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.128854 (E_RNA)
where:
Base-Base interactions energy: -1285.391
where: short stacking energy: -538.078
Base-Backbone interact. energy: -1.458
local terms energy: -592.279277
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -128.830
flat angles C4'-P-C4' energy: -136.645
flat angles P-C4'-P energy: -83.251
tors. eta vs tors. theta energy: -131.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1767.526220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.526220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.526220 (E_RNA)
where:
Base-Base interactions energy: -1162.277
where: short stacking energy: -536.475
Base-Backbone interact. energy: 0.666
local terms energy: -605.914706
where:
bonds (distance) C4'-P energy: -114.052
bonds (distance) P-C4' energy: -116.598
flat angles C4'-P-C4' energy: -135.968
flat angles P-C4'-P energy: -78.515
tors. eta vs tors. theta energy: -160.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1710.673619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.673619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.673619 (E_RNA)
where:
Base-Base interactions energy: -1151.720
where: short stacking energy: -504.038
Base-Backbone interact. energy: -2.206
local terms energy: -556.747911
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -116.928
flat angles C4'-P-C4' energy: -122.663
flat angles P-C4'-P energy: -63.593
tors. eta vs tors. theta energy: -137.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1444.732831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.732831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.732831 (E_RNA)
where:
Base-Base interactions energy: -948.731
where: short stacking energy: -420.618
Base-Backbone interact. energy: 0.665
local terms energy: -496.667405
where:
bonds (distance) C4'-P energy: -104.911
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -122.226
flat angles P-C4'-P energy: -60.623
tors. eta vs tors. theta energy: -84.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1292.823446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.823446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.823446 (E_RNA)
where:
Base-Base interactions energy: -817.796
where: short stacking energy: -386.675
Base-Backbone interact. energy: 0.346
local terms energy: -475.373448
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -94.411
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -83.714
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: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -983.721525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.721525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.721525 (E_RNA)
where:
Base-Base interactions energy: -564.437
where: short stacking energy: -291.541
Base-Backbone interact. energy: 1.358
local terms energy: -420.642453
where:
bonds (distance) C4'-P energy: -102.495
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -110.955
flat angles P-C4'-P energy: -62.078
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -715.493501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.493501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.493501 (E_RNA)
where:
Base-Base interactions energy: -365.663
where: short stacking energy: -210.606
Base-Backbone interact. energy: 2.004
local terms energy: -351.834270
where:
bonds (distance) C4'-P energy: -102.873
bonds (distance) P-C4' energy: -100.879
flat angles C4'-P-C4' energy: -86.657
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -488.738386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.738386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.738386 (E_RNA)
where:
Base-Base interactions energy: -154.362
where: short stacking energy: -151.739
Base-Backbone interact. energy: 2.163
local terms energy: -336.539128
where:
bonds (distance) C4'-P energy: -97.278
bonds (distance) P-C4' energy: -110.828
flat angles C4'-P-C4' energy: -86.286
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: 18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2109.393724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.393724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.393724 (E_RNA)
where:
Base-Base interactions energy: -1451.526
where: short stacking energy: -626.468
Base-Backbone interact. energy: 0.133
local terms energy: -658.001069
where:
bonds (distance) C4'-P energy: -118.819
bonds (distance) P-C4' energy: -121.286
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -93.660
tors. eta vs tors. theta energy: -173.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2033.158339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.158339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.158339 (E_RNA)
where:
Base-Base interactions energy: -1398.372
where: short stacking energy: -598.983
Base-Backbone interact. energy: -5.449
local terms energy: -629.337169
where:
bonds (distance) C4'-P energy: -110.571
bonds (distance) P-C4' energy: -120.507
flat angles C4'-P-C4' energy: -145.896
flat angles P-C4'-P energy: -86.314
tors. eta vs tors. theta energy: -166.050
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: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1902.853304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.853304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.853304 (E_RNA)
where:
Base-Base interactions energy: -1308.163
where: short stacking energy: -540.603
Base-Backbone interact. energy: 0.858
local terms energy: -595.548108
where:
bonds (distance) C4'-P energy: -115.874
bonds (distance) P-C4' energy: -111.345
flat angles C4'-P-C4' energy: -143.207
flat angles P-C4'-P energy: -86.874
tors. eta vs tors. theta energy: -138.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1813.221799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.221799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.221799 (E_RNA)
where:
Base-Base interactions energy: -1220.019
where: short stacking energy: -530.065
Base-Backbone interact. energy: 1.518
local terms energy: -594.720837
where:
bonds (distance) C4'-P energy: -102.061
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -125.612
flat angles P-C4'-P energy: -85.569
tors. eta vs tors. theta energy: -163.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1740.569974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.569974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.569974 (E_RNA)
where:
Base-Base interactions energy: -1151.662
where: short stacking energy: -481.394
Base-Backbone interact. energy: -4.071
local terms energy: -584.837552
where:
bonds (distance) C4'-P energy: -118.212
bonds (distance) P-C4' energy: -123.026
flat angles C4'-P-C4' energy: -129.494
flat angles P-C4'-P energy: -77.794
tors. eta vs tors. theta energy: -136.312
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1454.879318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.879318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.879318 (E_RNA)
where:
Base-Base interactions energy: -929.433
where: short stacking energy: -443.157
Base-Backbone interact. energy: -3.209
local terms energy: -522.237606
where:
bonds (distance) C4'-P energy: -107.709
bonds (distance) P-C4' energy: -118.793
flat angles C4'-P-C4' energy: -112.458
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -105.790
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: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1309.022130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.022130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.022130 (E_RNA)
where:
Base-Base interactions energy: -806.286
where: short stacking energy: -351.749
Base-Backbone interact. energy: -0.837
local terms energy: -501.899278
where:
bonds (distance) C4'-P energy: -107.415
bonds (distance) P-C4' energy: -107.359
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -87.955
tors. eta vs tors. theta energy: -84.672
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -973.095168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.095168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.095168 (E_RNA)
where:
Base-Base interactions energy: -581.674
where: short stacking energy: -315.631
Base-Backbone interact. energy: 3.559
local terms energy: -394.980360
where:
bonds (distance) C4'-P energy: -106.265
bonds (distance) P-C4' energy: -97.935
flat angles C4'-P-C4' energy: -102.019
flat angles P-C4'-P energy: -57.036
tors. eta vs tors. theta energy: -31.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -691.661787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.661787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.661787 (E_RNA)
where:
Base-Base interactions energy: -343.191
where: short stacking energy: -220.907
Base-Backbone interact. energy: 1.066
local terms energy: -349.536340
where:
bonds (distance) C4'-P energy: -103.348
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -70.291
flat angles P-C4'-P energy: -55.044
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -478.853361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.853361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.853361 (E_RNA)
where:
Base-Base interactions energy: -176.307
where: short stacking energy: -123.600
Base-Backbone interact. energy: 8.590
local terms energy: -311.136426
where:
bonds (distance) C4'-P energy: -87.349
bonds (distance) P-C4' energy: -105.144
flat angles C4'-P-C4' energy: -86.649
flat angles P-C4'-P energy: -61.094
tors. eta vs tors. theta energy: 29.100
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: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2081.474968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.474968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.474968 (E_RNA)
where:
Base-Base interactions energy: -1439.043
where: short stacking energy: -606.869
Base-Backbone interact. energy: -4.203
local terms energy: -638.229308
where:
bonds (distance) C4'-P energy: -116.771
bonds (distance) P-C4' energy: -126.985
flat angles C4'-P-C4' energy: -137.002
flat angles P-C4'-P energy: -92.232
tors. eta vs tors. theta energy: -165.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2031.273237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.273237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.273237 (E_RNA)
where:
Base-Base interactions energy: -1385.707
where: short stacking energy: -563.667
Base-Backbone interact. energy: -2.315
local terms energy: -643.251071
where:
bonds (distance) C4'-P energy: -128.106
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -134.264
flat angles P-C4'-P energy: -91.850
tors. eta vs tors. theta energy: -160.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1885.079994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.079994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.079994 (E_RNA)
where:
Base-Base interactions energy: -1293.753
where: short stacking energy: -536.417
Base-Backbone interact. energy: -0.647
local terms energy: -590.680471
where:
bonds (distance) C4'-P energy: -107.969
bonds (distance) P-C4' energy: -130.674
flat angles C4'-P-C4' energy: -129.648
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -141.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1866.381826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.381826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.381826 (E_RNA)
where:
Base-Base interactions energy: -1243.306
where: short stacking energy: -582.338
Base-Backbone interact. energy: 3.051
local terms energy: -626.126706
where:
bonds (distance) C4'-P energy: -110.766
bonds (distance) P-C4' energy: -118.597
flat angles C4'-P-C4' energy: -133.081
flat angles P-C4'-P energy: -87.175
tors. eta vs tors. theta energy: -176.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1755.394959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.394959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.394959 (E_RNA)
where:
Base-Base interactions energy: -1172.681
where: short stacking energy: -497.440
Base-Backbone interact. energy: -4.099
local terms energy: -578.614578
where:
bonds (distance) C4'-P energy: -109.619
bonds (distance) P-C4' energy: -119.627
flat angles C4'-P-C4' energy: -130.905
flat angles P-C4'-P energy: -70.631
tors. eta vs tors. theta energy: -147.833
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: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1458.270658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.270658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.270658 (E_RNA)
where:
Base-Base interactions energy: -917.330
where: short stacking energy: -402.247
Base-Backbone interact. energy: -0.423
local terms energy: -540.518164
where:
bonds (distance) C4'-P energy: -118.598
bonds (distance) P-C4' energy: -117.027
flat angles C4'-P-C4' energy: -120.134
flat angles P-C4'-P energy: -91.816
tors. eta vs tors. theta energy: -92.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1363.991739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.991739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.991739 (E_RNA)
where:
Base-Base interactions energy: -874.199
where: short stacking energy: -424.976
Base-Backbone interact. energy: -4.406
local terms energy: -485.387330
where:
bonds (distance) C4'-P energy: -107.689
bonds (distance) P-C4' energy: -108.988
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -69.991
tors. eta vs tors. theta energy: -97.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -978.785100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.785100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.785100 (E_RNA)
where:
Base-Base interactions energy: -577.251
where: short stacking energy: -262.808
Base-Backbone interact. energy: 9.948
local terms energy: -411.482492
where:
bonds (distance) C4'-P energy: -99.763
bonds (distance) P-C4' energy: -105.324
flat angles C4'-P-C4' energy: -95.034
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -41.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -701.581478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.581478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.581478 (E_RNA)
where:
Base-Base interactions energy: -335.001
where: short stacking energy: -209.226
Base-Backbone interact. energy: 11.285
local terms energy: -377.864992
where:
bonds (distance) C4'-P energy: -91.878
bonds (distance) P-C4' energy: -109.985
flat angles C4'-P-C4' energy: -87.400
flat angles P-C4'-P energy: -58.980
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -529.010795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.010795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.010795 (E_RNA)
where:
Base-Base interactions energy: -175.635
where: short stacking energy: -155.732
Base-Backbone interact. energy: -0.370
local terms energy: -353.006437
where:
bonds (distance) C4'-P energy: -117.077
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -61.934
tors. eta vs tors. theta energy: 12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2078.567668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.567668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.567668 (E_RNA)
where:
Base-Base interactions energy: -1416.250
where: short stacking energy: -638.874
Base-Backbone interact. energy: -0.671
local terms energy: -661.646643
where:
bonds (distance) C4'-P energy: -126.120
bonds (distance) P-C4' energy: -116.041
flat angles C4'-P-C4' energy: -143.848
flat angles P-C4'-P energy: -108.690
tors. eta vs tors. theta energy: -166.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2054.063677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.063677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.063677 (E_RNA)
where:
Base-Base interactions energy: -1399.199
where: short stacking energy: -604.962
Base-Backbone interact. energy: -6.149
local terms energy: -648.715656
where:
bonds (distance) C4'-P energy: -129.436
bonds (distance) P-C4' energy: -118.996
flat angles C4'-P-C4' energy: -145.334
flat angles P-C4'-P energy: -79.642
tors. eta vs tors. theta energy: -175.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1905.461057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.461057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.461057 (E_RNA)
where:
Base-Base interactions energy: -1307.241
where: short stacking energy: -545.584
Base-Backbone interact. energy: -2.994
local terms energy: -595.225378
where:
bonds (distance) C4'-P energy: -123.696
bonds (distance) P-C4' energy: -112.737
flat angles C4'-P-C4' energy: -134.450
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -149.999
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: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1753.784451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.784451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.784451 (E_RNA)
where:
Base-Base interactions energy: -1185.546
where: short stacking energy: -525.960
Base-Backbone interact. energy: -0.130
local terms energy: -568.108350
where:
bonds (distance) C4'-P energy: -97.703
bonds (distance) P-C4' energy: -113.696
flat angles C4'-P-C4' energy: -120.031
flat angles P-C4'-P energy: -81.313
tors. eta vs tors. theta energy: -155.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1761.266446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.266446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.266446 (E_RNA)
where:
Base-Base interactions energy: -1212.976
where: short stacking energy: -526.067
Base-Backbone interact. energy: -1.754
local terms energy: -546.536198
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -107.147
flat angles C4'-P-C4' energy: -118.929
flat angles P-C4'-P energy: -74.516
tors. eta vs tors. theta energy: -138.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1492.477050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.477050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.477050 (E_RNA)
where:
Base-Base interactions energy: -980.310
where: short stacking energy: -446.896
Base-Backbone interact. energy: -1.244
local terms energy: -510.923424
where:
bonds (distance) C4'-P energy: -101.024
bonds (distance) P-C4' energy: -113.516
flat angles C4'-P-C4' energy: -112.403
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -109.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1381.242569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.242569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.242569 (E_RNA)
where:
Base-Base interactions energy: -855.501
where: short stacking energy: -391.189
Base-Backbone interact. energy: -2.191
local terms energy: -523.550490
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -126.644
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -80.570
tors. eta vs tors. theta energy: -97.951
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: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1021.151992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.151992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.151992 (E_RNA)
where:
Base-Base interactions energy: -591.631
where: short stacking energy: -288.225
Base-Backbone interact. energy: -0.054
local terms energy: -429.466523
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -110.507
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -63.886
tors. eta vs tors. theta energy: -53.494
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: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -670.835889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.835889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.835889 (E_RNA)
where:
Base-Base interactions energy: -299.583
where: short stacking energy: -182.244
Base-Backbone interact. energy: 5.890
local terms energy: -377.142435
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -121.633
flat angles C4'-P-C4' energy: -76.749
flat angles P-C4'-P energy: -69.781
tors. eta vs tors. theta energy: 5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -497.698361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.698361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.698361 (E_RNA)
where:
Base-Base interactions energy: -174.658
where: short stacking energy: -135.459
Base-Backbone interact. energy: 1.459
local terms energy: -324.499801
where:
bonds (distance) C4'-P energy: -94.460
bonds (distance) P-C4' energy: -102.761
flat angles C4'-P-C4' energy: -93.444
flat angles P-C4'-P energy: -46.358
tors. eta vs tors. theta energy: 12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2104.827426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.827426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.827426 (E_RNA)
where:
Base-Base interactions energy: -1451.079
where: short stacking energy: -609.431
Base-Backbone interact. energy: -4.318
local terms energy: -649.430175
where:
bonds (distance) C4'-P energy: -108.541
bonds (distance) P-C4' energy: -137.582
flat angles C4'-P-C4' energy: -149.550
flat angles P-C4'-P energy: -83.898
tors. eta vs tors. theta energy: -169.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2030.128209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.128209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.128209 (E_RNA)
where:
Base-Base interactions energy: -1402.708
where: short stacking energy: -599.294
Base-Backbone interact. energy: -3.701
local terms energy: -623.718713
where:
bonds (distance) C4'-P energy: -124.632
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -83.159
tors. eta vs tors. theta energy: -165.855
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: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1898.334782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.334782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.334782 (E_RNA)
where:
Base-Base interactions energy: -1308.110
where: short stacking energy: -550.594
Base-Backbone interact. energy: -3.860
local terms energy: -586.364188
where:
bonds (distance) C4'-P energy: -123.052
bonds (distance) P-C4' energy: -105.561
flat angles C4'-P-C4' energy: -128.445
flat angles P-C4'-P energy: -87.774
tors. eta vs tors. theta energy: -141.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1775.558954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.558954 (E_RNA)
where:
Base-Base interactions energy: -1215.533
where: short stacking energy: -546.567
Base-Backbone interact. energy: -2.532
local terms energy: -557.494049
where:
bonds (distance) C4'-P energy: -103.094
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -121.271
flat angles P-C4'-P energy: -85.702
tors. eta vs tors. theta energy: -135.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1775.408737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.408737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.408737 (E_RNA)
where:
Base-Base interactions energy: -1188.919
where: short stacking energy: -490.074
Base-Backbone interact. energy: -1.584
local terms energy: -584.904887
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -111.138
flat angles C4'-P-C4' energy: -133.043
flat angles P-C4'-P energy: -78.851
tors. eta vs tors. theta energy: -159.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1477.779820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.779820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.779820 (E_RNA)
where:
Base-Base interactions energy: -956.481
where: short stacking energy: -423.131
Base-Backbone interact. energy: -2.901
local terms energy: -518.397545
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -105.574
flat angles C4'-P-C4' energy: -111.729
flat angles P-C4'-P energy: -83.058
tors. eta vs tors. theta energy: -100.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1387.334640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.334640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.334640 (E_RNA)
where:
Base-Base interactions energy: -884.681
where: short stacking energy: -403.957
Base-Backbone interact. energy: -3.306
local terms energy: -499.347462
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -116.657
flat angles C4'-P-C4' energy: -109.384
flat angles P-C4'-P energy: -74.716
tors. eta vs tors. theta energy: -86.672
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1002.576414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.576414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.576414 (E_RNA)
where:
Base-Base interactions energy: -563.387
where: short stacking energy: -300.454
Base-Backbone interact. energy: -1.259
local terms energy: -437.930456
where:
bonds (distance) C4'-P energy: -100.623
bonds (distance) P-C4' energy: -128.730
flat angles C4'-P-C4' energy: -106.302
flat angles P-C4'-P energy: -63.335
tors. eta vs tors. theta energy: -38.940
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -694.809674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.809674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.809674 (E_RNA)
where:
Base-Base interactions energy: -316.752
where: short stacking energy: -202.751
Base-Backbone interact. energy: -0.589
local terms energy: -377.468370
where:
bonds (distance) C4'-P energy: -99.532
bonds (distance) P-C4' energy: -116.301
flat angles C4'-P-C4' energy: -84.584
flat angles P-C4'-P energy: -69.389
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -490.450818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.450818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.450818 (E_RNA)
where:
Base-Base interactions energy: -170.953
where: short stacking energy: -135.971
Base-Backbone interact. energy: -2.749
local terms energy: -316.749157
where:
bonds (distance) C4'-P energy: -77.362
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -100.673
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: 25.980
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: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2116.595185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.595185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.595185 (E_RNA)
where:
Base-Base interactions energy: -1464.192
where: short stacking energy: -626.376
Base-Backbone interact. energy: -6.530
local terms energy: -645.872814
where:
bonds (distance) C4'-P energy: -118.886
bonds (distance) P-C4' energy: -122.865
flat angles C4'-P-C4' energy: -134.082
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -173.385
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: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2040.610591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.610591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.610591 (E_RNA)
where:
Base-Base interactions energy: -1391.626
where: short stacking energy: -573.728
Base-Backbone interact. energy: -5.717
local terms energy: -643.267651
where:
bonds (distance) C4'-P energy: -124.648
bonds (distance) P-C4' energy: -135.092
flat angles C4'-P-C4' energy: -140.751
flat angles P-C4'-P energy: -86.680
tors. eta vs tors. theta energy: -156.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1862.072199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.072199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.072199 (E_RNA)
where:
Base-Base interactions energy: -1259.839
where: short stacking energy: -551.887
Base-Backbone interact. energy: -2.202
local terms energy: -600.030578
where:
bonds (distance) C4'-P energy: -117.986
bonds (distance) P-C4' energy: -113.971
flat angles C4'-P-C4' energy: -133.303
flat angles P-C4'-P energy: -86.472
tors. eta vs tors. theta energy: -148.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1772.419829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.419829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.419829 (E_RNA)
where:
Base-Base interactions energy: -1171.947
where: short stacking energy: -548.484
Base-Backbone interact. energy: -0.481
local terms energy: -599.991278
where:
bonds (distance) C4'-P energy: -118.650
bonds (distance) P-C4' energy: -123.229
flat angles C4'-P-C4' energy: -121.348
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -143.476
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1768.603474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.603474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.603474 (E_RNA)
where:
Base-Base interactions energy: -1193.967
where: short stacking energy: -549.871
Base-Backbone interact. energy: -0.884
local terms energy: -573.752532
where:
bonds (distance) C4'-P energy: -100.406
bonds (distance) P-C4' energy: -93.823
flat angles C4'-P-C4' energy: -123.677
flat angles P-C4'-P energy: -87.740
tors. eta vs tors. theta energy: -168.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1494.368880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.368880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.368880 (E_RNA)
where:
Base-Base interactions energy: -956.569
where: short stacking energy: -458.975
Base-Backbone interact. energy: -2.649
local terms energy: -535.150965
where:
bonds (distance) C4'-P energy: -120.342
bonds (distance) P-C4' energy: -108.731
flat angles C4'-P-C4' energy: -121.035
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: -115.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1300.514239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.514239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.514239 (E_RNA)
where:
Base-Base interactions energy: -798.321
where: short stacking energy: -389.048
Base-Backbone interact. energy: 0.122
local terms energy: -502.315215
where:
bonds (distance) C4'-P energy: -115.316
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -120.068
flat angles P-C4'-P energy: -68.511
tors. eta vs tors. theta energy: -93.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1043.992494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.992494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.992494 (E_RNA)
where:
Base-Base interactions energy: -619.143
where: short stacking energy: -300.198
Base-Backbone interact. energy: 0.232
local terms energy: -425.081945
where:
bonds (distance) C4'-P energy: -98.605
bonds (distance) P-C4' energy: -130.363
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -51.741
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -562.999173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.999173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.999173 (E_RNA)
where:
Base-Base interactions energy: -228.847
where: short stacking energy: -172.992
Base-Backbone interact. energy: -0.867
local terms energy: -333.285198
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -121.609
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -649.080150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.080150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.080150 (E_RNA)
where:
Base-Base interactions energy: -298.385
where: short stacking energy: -175.163
Base-Backbone interact. energy: 5.278
local terms energy: -355.973114
where:
bonds (distance) C4'-P energy: -102.803
bonds (distance) P-C4' energy: -107.470
flat angles C4'-P-C4' energy: -103.043
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: 15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2110.344215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.344215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.344215 (E_RNA)
where:
Base-Base interactions energy: -1455.478
where: short stacking energy: -626.157
Base-Backbone interact. energy: -0.266
local terms energy: -654.600472
where:
bonds (distance) C4'-P energy: -121.085
bonds (distance) P-C4' energy: -129.080
flat angles C4'-P-C4' energy: -144.923
flat angles P-C4'-P energy: -100.936
tors. eta vs tors. theta energy: -158.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2037.063105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.063105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.063105 (E_RNA)
where:
Base-Base interactions energy: -1410.093
where: short stacking energy: -627.790
Base-Backbone interact. energy: 0.868
local terms energy: -627.838094
where:
bonds (distance) C4'-P energy: -112.079
bonds (distance) P-C4' energy: -121.605
flat angles C4'-P-C4' energy: -141.048
flat angles P-C4'-P energy: -88.044
tors. eta vs tors. theta energy: -165.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1982.953148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.953148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.953148 (E_RNA)
where:
Base-Base interactions energy: -1383.030
where: short stacking energy: -563.094
Base-Backbone interact. energy: -5.478
local terms energy: -594.444723
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -106.054
flat angles C4'-P-C4' energy: -129.265
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -159.927
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: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1807.522785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.522785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.522785 (E_RNA)
where:
Base-Base interactions energy: -1200.330
where: short stacking energy: -533.258
Base-Backbone interact. energy: -1.036
local terms energy: -606.156248
where:
bonds (distance) C4'-P energy: -115.276
bonds (distance) P-C4' energy: -113.578
flat angles C4'-P-C4' energy: -140.638
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -155.963
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1704.206806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.206806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.206806 (E_RNA)
where:
Base-Base interactions energy: -1131.035
where: short stacking energy: -505.236
Base-Backbone interact. energy: -2.215
local terms energy: -570.956597
where:
bonds (distance) C4'-P energy: -125.144
bonds (distance) P-C4' energy: -117.647
flat angles C4'-P-C4' energy: -115.308
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -134.148
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1526.180607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.180607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.180607 (E_RNA)
where:
Base-Base interactions energy: -1001.597
where: short stacking energy: -469.394
Base-Backbone interact. energy: 0.726
local terms energy: -525.309997
where:
bonds (distance) C4'-P energy: -106.373
bonds (distance) P-C4' energy: -108.065
flat angles C4'-P-C4' energy: -120.463
flat angles P-C4'-P energy: -62.725
tors. eta vs tors. theta energy: -127.684
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: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1267.743609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.743609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.743609 (E_RNA)
where:
Base-Base interactions energy: -833.360
where: short stacking energy: -371.655
Base-Backbone interact. energy: -1.336
local terms energy: -433.047632
where:
bonds (distance) C4'-P energy: -97.331
bonds (distance) P-C4' energy: -105.072
flat angles C4'-P-C4' energy: -102.661
flat angles P-C4'-P energy: -60.980
tors. eta vs tors. theta energy: -67.004
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: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1063.245676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.245676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.245676 (E_RNA)
where:
Base-Base interactions energy: -648.383
where: short stacking energy: -318.987
Base-Backbone interact. energy: -1.088
local terms energy: -413.774810
where:
bonds (distance) C4'-P energy: -95.851
bonds (distance) P-C4' energy: -117.252
flat angles C4'-P-C4' energy: -99.101
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -542.136033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.136033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.136033 (E_RNA)
where:
Base-Base interactions energy: -189.246
where: short stacking energy: -168.361
Base-Backbone interact. energy: 4.746
local terms energy: -357.636222
where:
bonds (distance) C4'-P energy: -99.155
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -83.322
flat angles P-C4'-P energy: -49.303
tors. eta vs tors. theta energy: -3.518
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -628.910732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.910732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.910732 (E_RNA)
where:
Base-Base interactions energy: -297.362
where: short stacking energy: -176.384
Base-Backbone interact. energy: -1.325
local terms energy: -330.224156
where:
bonds (distance) C4'-P energy: -96.947
bonds (distance) P-C4' energy: -94.478
flat angles C4'-P-C4' energy: -97.979
flat angles P-C4'-P energy: -44.618
tors. eta vs tors. theta energy: 3.798
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: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2095.082774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.082774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.082774 (E_RNA)
where:
Base-Base interactions energy: -1439.102
where: short stacking energy: -593.757
Base-Backbone interact. energy: -6.485
local terms energy: -649.496302
where:
bonds (distance) C4'-P energy: -133.144
bonds (distance) P-C4' energy: -118.731
flat angles C4'-P-C4' energy: -138.814
flat angles P-C4'-P energy: -97.515
tors. eta vs tors. theta energy: -161.292
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2016.247325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.247325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.247325 (E_RNA)
where:
Base-Base interactions energy: -1369.794
where: short stacking energy: -603.560
Base-Backbone interact. energy: -3.042
local terms energy: -643.411514
where:
bonds (distance) C4'-P energy: -119.285
bonds (distance) P-C4' energy: -121.169
flat angles C4'-P-C4' energy: -148.736
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -161.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1959.720418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.720418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.720418 (E_RNA)
where:
Base-Base interactions energy: -1346.880
where: short stacking energy: -562.987
Base-Backbone interact. energy: -2.850
local terms energy: -609.990937
where:
bonds (distance) C4'-P energy: -114.063
bonds (distance) P-C4' energy: -128.474
flat angles C4'-P-C4' energy: -133.646
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: -143.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1805.626956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.626956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.626956 (E_RNA)
where:
Base-Base interactions energy: -1173.235
where: short stacking energy: -518.068
Base-Backbone interact. energy: -2.776
local terms energy: -629.616010
where:
bonds (distance) C4'-P energy: -122.001
bonds (distance) P-C4' energy: -144.622
flat angles C4'-P-C4' energy: -121.741
flat angles P-C4'-P energy: -85.387
tors. eta vs tors. theta energy: -155.865
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1698.924283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.924283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.924283 (E_RNA)
where:
Base-Base interactions energy: -1130.819
where: short stacking energy: -464.291
Base-Backbone interact. energy: 0.799
local terms energy: -568.904414
where:
bonds (distance) C4'-P energy: -89.003
bonds (distance) P-C4' energy: -128.199
flat angles C4'-P-C4' energy: -137.127
flat angles P-C4'-P energy: -83.744
tors. eta vs tors. theta energy: -130.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1459.657788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.657788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.657788 (E_RNA)
where:
Base-Base interactions energy: -941.470
where: short stacking energy: -431.678
Base-Backbone interact. energy: 0.114
local terms energy: -518.301030
where:
bonds (distance) C4'-P energy: -116.336
bonds (distance) P-C4' energy: -109.530
flat angles C4'-P-C4' energy: -115.613
flat angles P-C4'-P energy: -69.180
tors. eta vs tors. theta energy: -107.643
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: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1243.270824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.270824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.270824 (E_RNA)
where:
Base-Base interactions energy: -804.846
where: short stacking energy: -353.326
Base-Backbone interact. energy: -2.244
local terms energy: -436.180725
where:
bonds (distance) C4'-P energy: -97.584
bonds (distance) P-C4' energy: -97.277
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -73.496
tors. eta vs tors. theta energy: -64.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1025.889048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.889048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.889048 (E_RNA)
where:
Base-Base interactions energy: -606.297
where: short stacking energy: -291.310
Base-Backbone interact. energy: -5.369
local terms energy: -414.223261
where:
bonds (distance) C4'-P energy: -93.895
bonds (distance) P-C4' energy: -109.450
flat angles C4'-P-C4' energy: -106.330
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -705.639686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.639686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.639686 (E_RNA)
where:
Base-Base interactions energy: -334.028
where: short stacking energy: -228.352
Base-Backbone interact. energy: 0.893
local terms energy: -372.504507
where:
bonds (distance) C4'-P energy: -101.870
bonds (distance) P-C4' energy: -108.164
flat angles C4'-P-C4' energy: -86.102
flat angles P-C4'-P energy: -61.096
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -489.851162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.851162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.851162 (E_RNA)
where:
Base-Base interactions energy: -170.816
where: short stacking energy: -132.124
Base-Backbone interact. energy: 2.319
local terms energy: -321.353876
where:
bonds (distance) C4'-P energy: -110.905
bonds (distance) P-C4' energy: -106.095
flat angles C4'-P-C4' energy: -78.002
flat angles P-C4'-P energy: -63.702
tors. eta vs tors. theta energy: 37.350
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: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2101.795023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.795023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.795023 (E_RNA)
where:
Base-Base interactions energy: -1451.594
where: short stacking energy: -634.442
Base-Backbone interact. energy: -1.229
local terms energy: -648.971966
where:
bonds (distance) C4'-P energy: -116.107
bonds (distance) P-C4' energy: -129.450
flat angles C4'-P-C4' energy: -141.441
flat angles P-C4'-P energy: -96.895
tors. eta vs tors. theta energy: -165.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2041.242755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.242755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.242755 (E_RNA)
where:
Base-Base interactions energy: -1411.438
where: short stacking energy: -610.006
Base-Backbone interact. energy: -4.610
local terms energy: -625.194754
where:
bonds (distance) C4'-P energy: -124.886
bonds (distance) P-C4' energy: -114.790
flat angles C4'-P-C4' energy: -142.012
flat angles P-C4'-P energy: -73.995
tors. eta vs tors. theta energy: -169.511
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: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1916.024219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.024219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.024219 (E_RNA)
where:
Base-Base interactions energy: -1305.028
where: short stacking energy: -551.966
Base-Backbone interact. energy: -3.535
local terms energy: -607.461614
where:
bonds (distance) C4'-P energy: -116.159
bonds (distance) P-C4' energy: -118.523
flat angles C4'-P-C4' energy: -140.570
flat angles P-C4'-P energy: -82.587
tors. eta vs tors. theta energy: -149.623
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: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1838.026827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.026827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.026827 (E_RNA)
where:
Base-Base interactions energy: -1234.182
where: short stacking energy: -555.758
Base-Backbone interact. energy: 1.178
local terms energy: -605.022792
where:
bonds (distance) C4'-P energy: -122.935
bonds (distance) P-C4' energy: -112.728
flat angles C4'-P-C4' energy: -137.090
flat angles P-C4'-P energy: -75.696
tors. eta vs tors. theta energy: -156.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1720.115288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.115288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.115288 (E_RNA)
where:
Base-Base interactions energy: -1141.717
where: short stacking energy: -491.199
Base-Backbone interact. energy: 0.863
local terms energy: -579.261584
where:
bonds (distance) C4'-P energy: -127.033
bonds (distance) P-C4' energy: -108.740
flat angles C4'-P-C4' energy: -116.904
flat angles P-C4'-P energy: -94.843
tors. eta vs tors. theta energy: -131.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1367.177578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.177578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.177578 (E_RNA)
where:
Base-Base interactions energy: -861.807
where: short stacking energy: -399.687
Base-Backbone interact. energy: -4.398
local terms energy: -500.973059
where:
bonds (distance) C4'-P energy: -100.555
bonds (distance) P-C4' energy: -110.839
flat angles C4'-P-C4' energy: -126.653
flat angles P-C4'-P energy: -65.030
tors. eta vs tors. theta energy: -97.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1288.995211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.995211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.995211 (E_RNA)
where:
Base-Base interactions energy: -785.455
where: short stacking energy: -364.685
Base-Backbone interact. energy: -1.548
local terms energy: -501.992051
where:
bonds (distance) C4'-P energy: -114.658
bonds (distance) P-C4' energy: -119.275
flat angles C4'-P-C4' energy: -108.905
flat angles P-C4'-P energy: -70.235
tors. eta vs tors. theta energy: -88.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -968.727777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.727777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.727777 (E_RNA)
where:
Base-Base interactions energy: -534.745
where: short stacking energy: -265.970
Base-Backbone interact. energy: -0.039
local terms energy: -433.943671
where:
bonds (distance) C4'-P energy: -118.959
bonds (distance) P-C4' energy: -123.398
flat angles C4'-P-C4' energy: -93.409
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: -35.619
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -687.148518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.148518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.148518 (E_RNA)
where:
Base-Base interactions energy: -312.729
where: short stacking energy: -203.645
Base-Backbone interact. energy: 2.093
local terms energy: -376.511957
where:
bonds (distance) C4'-P energy: -117.570
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -96.010
flat angles P-C4'-P energy: -39.236
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -547.576648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.576648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.576648 (E_RNA)
where:
Base-Base interactions energy: -208.060
where: short stacking energy: -126.274
Base-Backbone interact. energy: -1.297
local terms energy: -338.219595
where:
bonds (distance) C4'-P energy: -99.316
bonds (distance) P-C4' energy: -108.200
flat angles C4'-P-C4' energy: -91.780
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: 17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2117.561726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.561726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.561726 (E_RNA)
where:
Base-Base interactions energy: -1462.494
where: short stacking energy: -604.832
Base-Backbone interact. energy: -3.714
local terms energy: -651.353988
where:
bonds (distance) C4'-P energy: -126.865
bonds (distance) P-C4' energy: -120.804
flat angles C4'-P-C4' energy: -145.115
flat angles P-C4'-P energy: -86.646
tors. eta vs tors. theta energy: -171.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2053.019086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.019086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.019086 (E_RNA)
where:
Base-Base interactions energy: -1392.369
where: short stacking energy: -606.076
Base-Backbone interact. energy: -5.411
local terms energy: -655.238716
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -135.983
flat angles C4'-P-C4' energy: -133.410
flat angles P-C4'-P energy: -86.483
tors. eta vs tors. theta energy: -171.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1900.369446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.369446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.369446 (E_RNA)
where:
Base-Base interactions energy: -1328.263
where: short stacking energy: -569.076
Base-Backbone interact. energy: -0.970
local terms energy: -571.136783
where:
bonds (distance) C4'-P energy: -115.646
bonds (distance) P-C4' energy: -115.871
flat angles C4'-P-C4' energy: -125.620
flat angles P-C4'-P energy: -69.229
tors. eta vs tors. theta energy: -144.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1842.130237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.130237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.130237 (E_RNA)
where:
Base-Base interactions energy: -1230.213
where: short stacking energy: -543.173
Base-Backbone interact. energy: -2.235
local terms energy: -609.682207
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -116.768
flat angles C4'-P-C4' energy: -131.532
flat angles P-C4'-P energy: -83.680
tors. eta vs tors. theta energy: -162.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1691.583330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.583330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.583330 (E_RNA)
where:
Base-Base interactions energy: -1129.513
where: short stacking energy: -496.298
Base-Backbone interact. energy: -1.208
local terms energy: -560.862242
where:
bonds (distance) C4'-P energy: -100.716
bonds (distance) P-C4' energy: -104.498
flat angles C4'-P-C4' energy: -142.873
flat angles P-C4'-P energy: -91.142
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1386.215234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.215234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.215234 (E_RNA)
where:
Base-Base interactions energy: -888.884
where: short stacking energy: -435.281
Base-Backbone interact. energy: -1.838
local terms energy: -495.493493
where:
bonds (distance) C4'-P energy: -106.470
bonds (distance) P-C4' energy: -106.676
flat angles C4'-P-C4' energy: -100.001
flat angles P-C4'-P energy: -78.373
tors. eta vs tors. theta energy: -103.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1364.344508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.344508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.344508 (E_RNA)
where:
Base-Base interactions energy: -841.807
where: short stacking energy: -408.646
Base-Backbone interact. energy: -0.540
local terms energy: -521.997533
where:
bonds (distance) C4'-P energy: -119.062
bonds (distance) P-C4' energy: -114.660
flat angles C4'-P-C4' energy: -118.547
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -89.098
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: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -987.296984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.296984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.296984 (E_RNA)
where:
Base-Base interactions energy: -591.323
where: short stacking energy: -269.360
Base-Backbone interact. energy: 2.046
local terms energy: -398.020116
where:
bonds (distance) C4'-P energy: -112.732
bonds (distance) P-C4' energy: -89.283
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -40.466
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: 210
Temperature: 1.300000
Total energy: -667.545776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.545776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.545776 (E_RNA)
where:
Base-Base interactions energy: -283.261
where: short stacking energy: -172.934
Base-Backbone interact. energy: 0.853
local terms energy: -385.138255
where:
bonds (distance) C4'-P energy: -112.021
bonds (distance) P-C4' energy: -125.533
flat angles C4'-P-C4' energy: -105.169
flat angles P-C4'-P energy: -49.792
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: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -647.072965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.072965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.072965 (E_RNA)
where:
Base-Base interactions energy: -309.111
where: short stacking energy: -191.756
Base-Backbone interact. energy: -0.982
local terms energy: -336.980013
where:
bonds (distance) C4'-P energy: -90.372
bonds (distance) P-C4' energy: -108.675
flat angles C4'-P-C4' energy: -83.246
flat angles P-C4'-P energy: -54.778
tors. eta vs tors. theta energy: 0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2084.396851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.396851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.396851 (E_RNA)
where:
Base-Base interactions energy: -1440.527
where: short stacking energy: -605.371
Base-Backbone interact. energy: -5.584
local terms energy: -638.285496
where:
bonds (distance) C4'-P energy: -124.111
bonds (distance) P-C4' energy: -124.693
flat angles C4'-P-C4' energy: -138.076
flat angles P-C4'-P energy: -83.360
tors. eta vs tors. theta energy: -168.045
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: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2039.180534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.180534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.180534 (E_RNA)
where:
Base-Base interactions energy: -1405.846
where: short stacking energy: -602.359
Base-Backbone interact. energy: -5.736
local terms energy: -627.598508
where:
bonds (distance) C4'-P energy: -117.850
bonds (distance) P-C4' energy: -108.838
flat angles C4'-P-C4' energy: -146.888
flat angles P-C4'-P energy: -85.337
tors. eta vs tors. theta energy: -168.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1930.757170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.757170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.757170 (E_RNA)
where:
Base-Base interactions energy: -1304.059
where: short stacking energy: -566.781
Base-Backbone interact. energy: -1.620
local terms energy: -625.078665
where:
bonds (distance) C4'-P energy: -118.093
bonds (distance) P-C4' energy: -132.685
flat angles C4'-P-C4' energy: -131.266
flat angles P-C4'-P energy: -83.851
tors. eta vs tors. theta energy: -159.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1869.597474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.597474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.597474 (E_RNA)
where:
Base-Base interactions energy: -1246.399
where: short stacking energy: -531.552
Base-Backbone interact. energy: -0.371
local terms energy: -622.827968
where:
bonds (distance) C4'-P energy: -117.325
bonds (distance) P-C4' energy: -124.540
flat angles C4'-P-C4' energy: -117.359
flat angles P-C4'-P energy: -100.905
tors. eta vs tors. theta energy: -162.700
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1697.544402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.544402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.544402 (E_RNA)
where:
Base-Base interactions energy: -1136.523
where: short stacking energy: -542.879
Base-Backbone interact. energy: 3.285
local terms energy: -564.307143
where:
bonds (distance) C4'-P energy: -104.888
bonds (distance) P-C4' energy: -114.703
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -74.484
tors. eta vs tors. theta energy: -134.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1347.112106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.112106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.112106 (E_RNA)
where:
Base-Base interactions energy: -862.031
where: short stacking energy: -401.936
Base-Backbone interact. energy: -1.945
local terms energy: -483.135958
where:
bonds (distance) C4'-P energy: -100.817
bonds (distance) P-C4' energy: -107.187
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -70.887
tors. eta vs tors. theta energy: -109.206
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: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1358.194148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.194148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.194148 (E_RNA)
where:
Base-Base interactions energy: -868.198
where: short stacking energy: -404.070
Base-Backbone interact. energy: 1.952
local terms energy: -491.948460
where:
bonds (distance) C4'-P energy: -77.259
bonds (distance) P-C4' energy: -103.503
flat angles C4'-P-C4' energy: -125.297
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -102.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -980.011053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.011053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.011053 (E_RNA)
where:
Base-Base interactions energy: -570.993
where: short stacking energy: -282.956
Base-Backbone interact. energy: 2.529
local terms energy: -411.546804
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -90.401
flat angles C4'-P-C4' energy: -121.467
flat angles P-C4'-P energy: -57.224
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -650.796681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.796681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.796681 (E_RNA)
where:
Base-Base interactions energy: -296.470
where: short stacking energy: -187.576
Base-Backbone interact. energy: -0.258
local terms energy: -354.068741
where:
bonds (distance) C4'-P energy: -96.399
bonds (distance) P-C4' energy: -112.302
flat angles C4'-P-C4' energy: -78.590
flat angles P-C4'-P energy: -57.902
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -648.825463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.825463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.825463 (E_RNA)
where:
Base-Base interactions energy: -302.999
where: short stacking energy: -179.008
Base-Backbone interact. energy: 2.915
local terms energy: -348.741936
where:
bonds (distance) C4'-P energy: -88.442
bonds (distance) P-C4' energy: -113.885
flat angles C4'-P-C4' energy: -114.153
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: 8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2100.058430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.058430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.058430 (E_RNA)
where:
Base-Base interactions energy: -1444.458
where: short stacking energy: -605.700
Base-Backbone interact. energy: -4.686
local terms energy: -650.915112
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -132.662
flat angles C4'-P-C4' energy: -131.027
flat angles P-C4'-P energy: -92.033
tors. eta vs tors. theta energy: -170.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2067.556650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.556650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.556650 (E_RNA)
where:
Base-Base interactions energy: -1428.350
where: short stacking energy: -601.115
Base-Backbone interact. energy: -4.132
local terms energy: -635.074395
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -111.056
flat angles C4'-P-C4' energy: -140.550
flat angles P-C4'-P energy: -99.034
tors. eta vs tors. theta energy: -174.348
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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1908.162495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.162495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.162495 (E_RNA)
where:
Base-Base interactions energy: -1311.088
where: short stacking energy: -563.599
Base-Backbone interact. energy: -0.582
local terms energy: -596.492208
where:
bonds (distance) C4'-P energy: -116.945
bonds (distance) P-C4' energy: -112.963
flat angles C4'-P-C4' energy: -130.321
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -149.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1844.178875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.178875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.178875 (E_RNA)
where:
Base-Base interactions energy: -1249.185
where: short stacking energy: -546.741
Base-Backbone interact. energy: -1.555
local terms energy: -593.439007
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -125.810
flat angles P-C4'-P energy: -80.321
tors. eta vs tors. theta energy: -161.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1723.822977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.822977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.822977 (E_RNA)
where:
Base-Base interactions energy: -1152.253
where: short stacking energy: -494.655
Base-Backbone interact. energy: -1.092
local terms energy: -570.477449
where:
bonds (distance) C4'-P energy: -112.022
bonds (distance) P-C4' energy: -114.428
flat angles C4'-P-C4' energy: -114.386
flat angles P-C4'-P energy: -88.832
tors. eta vs tors. theta energy: -140.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1429.763418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.763418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.763418 (E_RNA)
where:
Base-Base interactions energy: -894.963
where: short stacking energy: -411.870
Base-Backbone interact. energy: -0.572
local terms energy: -534.228594
where:
bonds (distance) C4'-P energy: -127.555
bonds (distance) P-C4' energy: -119.941
flat angles C4'-P-C4' energy: -118.673
flat angles P-C4'-P energy: -69.869
tors. eta vs tors. theta energy: -98.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1325.011081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.011081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.011081 (E_RNA)
where:
Base-Base interactions energy: -848.370
where: short stacking energy: -414.871
Base-Backbone interact. energy: -1.360
local terms energy: -475.280556
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -109.050
flat angles C4'-P-C4' energy: -122.683
flat angles P-C4'-P energy: -66.289
tors. eta vs tors. theta energy: -85.398
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: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1003.010779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.010779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.010779 (E_RNA)
where:
Base-Base interactions energy: -589.400
where: short stacking energy: -309.400
Base-Backbone interact. energy: -0.466
local terms energy: -413.144342
where:
bonds (distance) C4'-P energy: -99.710
bonds (distance) P-C4' energy: -104.613
flat angles C4'-P-C4' energy: -89.698
flat angles P-C4'-P energy: -62.243
tors. eta vs tors. theta energy: -56.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -577.815592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.815592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.815592 (E_RNA)
where:
Base-Base interactions energy: -236.985
where: short stacking energy: -191.372
Base-Backbone interact. energy: 4.093
local terms energy: -344.923322
where:
bonds (distance) C4'-P energy: -97.249
bonds (distance) P-C4' energy: -117.375
flat angles C4'-P-C4' energy: -87.706
flat angles P-C4'-P energy: -57.582
tors. eta vs tors. theta energy: 14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -604.512411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.512411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.512411 (E_RNA)
where:
Base-Base interactions energy: -256.252
where: short stacking energy: -160.286
Base-Backbone interact. energy: 2.550
local terms energy: -350.810372
where:
bonds (distance) C4'-P energy: -102.592
bonds (distance) P-C4' energy: -105.769
flat angles C4'-P-C4' energy: -75.069
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: 11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2096.952497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.952497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.952497 (E_RNA)
where:
Base-Base interactions energy: -1445.594
where: short stacking energy: -591.124
Base-Backbone interact. energy: -1.153
local terms energy: -650.205114
where:
bonds (distance) C4'-P energy: -122.852
bonds (distance) P-C4' energy: -117.601
flat angles C4'-P-C4' energy: -137.916
flat angles P-C4'-P energy: -100.014
tors. eta vs tors. theta energy: -171.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2039.506478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.506478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.506478 (E_RNA)
where:
Base-Base interactions energy: -1418.435
where: short stacking energy: -591.583
Base-Backbone interact. energy: -3.705
local terms energy: -617.366676
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -102.625
flat angles C4'-P-C4' energy: -140.245
flat angles P-C4'-P energy: -93.951
tors. eta vs tors. theta energy: -162.699
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: 213
Temperature: 1.000000
Total energy: -1957.963439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.963439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.963439 (E_RNA)
where:
Base-Base interactions energy: -1360.150
where: short stacking energy: -561.784
Base-Backbone interact. energy: -2.820
local terms energy: -594.993647
where:
bonds (distance) C4'-P energy: -106.753
bonds (distance) P-C4' energy: -109.690
flat angles C4'-P-C4' energy: -129.704
flat angles P-C4'-P energy: -89.709
tors. eta vs tors. theta energy: -159.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1845.215115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.215115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.215115 (E_RNA)
where:
Base-Base interactions energy: -1237.344
where: short stacking energy: -569.227
Base-Backbone interact. energy: 4.567
local terms energy: -612.437618
where:
bonds (distance) C4'-P energy: -114.975
bonds (distance) P-C4' energy: -115.348
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -90.027
tors. eta vs tors. theta energy: -160.534
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1756.666388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.666388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.666388 (E_RNA)
where:
Base-Base interactions energy: -1166.872
where: short stacking energy: -499.648
Base-Backbone interact. energy: -1.711
local terms energy: -588.083580
where:
bonds (distance) C4'-P energy: -120.433
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -142.287
flat angles P-C4'-P energy: -79.938
tors. eta vs tors. theta energy: -139.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1422.088857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.088857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.088857 (E_RNA)
where:
Base-Base interactions energy: -900.253
where: short stacking energy: -407.873
Base-Backbone interact. energy: -1.097
local terms energy: -520.739334
where:
bonds (distance) C4'-P energy: -104.210
bonds (distance) P-C4' energy: -111.896
flat angles C4'-P-C4' energy: -107.666
flat angles P-C4'-P energy: -90.320
tors. eta vs tors. theta energy: -106.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1343.196602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.196602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.196602 (E_RNA)
where:
Base-Base interactions energy: -844.241
where: short stacking energy: -408.897
Base-Backbone interact. energy: -2.491
local terms energy: -496.463854
where:
bonds (distance) C4'-P energy: -90.061
bonds (distance) P-C4' energy: -117.099
flat angles C4'-P-C4' energy: -122.564
flat angles P-C4'-P energy: -72.498
tors. eta vs tors. theta energy: -94.242
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -981.401905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.401905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.401905 (E_RNA)
where:
Base-Base interactions energy: -543.936
where: short stacking energy: -288.719
Base-Backbone interact. energy: -1.355
local terms energy: -436.110477
where:
bonds (distance) C4'-P energy: -107.279
bonds (distance) P-C4' energy: -114.011
flat angles C4'-P-C4' energy: -110.125
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -30.698
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: 213
Temperature: 1.300000
Total energy: -582.459400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.459400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.459400 (E_RNA)
where:
Base-Base interactions energy: -244.697
where: short stacking energy: -163.253
Base-Backbone interact. energy: 2.512
local terms energy: -340.274245
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -112.466
flat angles C4'-P-C4' energy: -85.089
flat angles P-C4'-P energy: -55.816
tors. eta vs tors. theta energy: 16.149
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -575.779089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.779089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.779089 (E_RNA)
where:
Base-Base interactions energy: -270.463
where: short stacking energy: -169.645
Base-Backbone interact. energy: -2.623
local terms energy: -302.692891
where:
bonds (distance) C4'-P energy: -101.168
bonds (distance) P-C4' energy: -100.384
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: 20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2125.769851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.769851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.769851 (E_RNA)
where:
Base-Base interactions energy: -1469.927
where: short stacking energy: -594.192
Base-Backbone interact. energy: -2.740
local terms energy: -653.103169
where:
bonds (distance) C4'-P energy: -133.326
bonds (distance) P-C4' energy: -126.493
flat angles C4'-P-C4' energy: -130.563
flat angles P-C4'-P energy: -88.215
tors. eta vs tors. theta energy: -174.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2023.453316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.453316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.453316 (E_RNA)
where:
Base-Base interactions energy: -1373.020
where: short stacking energy: -578.835
Base-Backbone interact. energy: -4.820
local terms energy: -645.613874
where:
bonds (distance) C4'-P energy: -112.257
bonds (distance) P-C4' energy: -122.858
flat angles C4'-P-C4' energy: -138.609
flat angles P-C4'-P energy: -101.737
tors. eta vs tors. theta energy: -170.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1946.105456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.105456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.105456 (E_RNA)
where:
Base-Base interactions energy: -1321.573
where: short stacking energy: -546.449
Base-Backbone interact. energy: -3.885
local terms energy: -620.647205
where:
bonds (distance) C4'-P energy: -118.113
bonds (distance) P-C4' energy: -117.787
flat angles C4'-P-C4' energy: -133.200
flat angles P-C4'-P energy: -96.754
tors. eta vs tors. theta energy: -154.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1857.959402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.959402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.959402 (E_RNA)
where:
Base-Base interactions energy: -1204.957
where: short stacking energy: -527.326
Base-Backbone interact. energy: -2.487
local terms energy: -650.515270
where:
bonds (distance) C4'-P energy: -124.274
bonds (distance) P-C4' energy: -134.703
flat angles C4'-P-C4' energy: -137.679
flat angles P-C4'-P energy: -85.432
tors. eta vs tors. theta energy: -168.428
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: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1761.124173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.124173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.124173 (E_RNA)
where:
Base-Base interactions energy: -1187.119
where: short stacking energy: -524.569
Base-Backbone interact. energy: -3.236
local terms energy: -570.769150
where:
bonds (distance) C4'-P energy: -97.217
bonds (distance) P-C4' energy: -128.676
flat angles C4'-P-C4' energy: -117.848
flat angles P-C4'-P energy: -83.297
tors. eta vs tors. theta energy: -143.731
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: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1447.568992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.568992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.568992 (E_RNA)
where:
Base-Base interactions energy: -926.273
where: short stacking energy: -424.802
Base-Backbone interact. energy: -3.586
local terms energy: -517.710090
where:
bonds (distance) C4'-P energy: -105.492
bonds (distance) P-C4' energy: -104.013
flat angles C4'-P-C4' energy: -119.522
flat angles P-C4'-P energy: -85.324
tors. eta vs tors. theta energy: -103.360
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: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1302.286848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.286848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.286848 (E_RNA)
where:
Base-Base interactions energy: -810.680
where: short stacking energy: -387.857
Base-Backbone interact. energy: -2.302
local terms energy: -489.304319
where:
bonds (distance) C4'-P energy: -113.841
bonds (distance) P-C4' energy: -100.207
flat angles C4'-P-C4' energy: -110.042
flat angles P-C4'-P energy: -80.913
tors. eta vs tors. theta energy: -84.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -986.170366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.170366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.170366 (E_RNA)
where:
Base-Base interactions energy: -573.518
where: short stacking energy: -300.175
Base-Backbone interact. energy: -3.724
local terms energy: -408.928599
where:
bonds (distance) C4'-P energy: -108.987
bonds (distance) P-C4' energy: -100.299
flat angles C4'-P-C4' energy: -96.509
flat angles P-C4'-P energy: -59.954
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -694.861633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.861633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.861633 (E_RNA)
where:
Base-Base interactions energy: -343.009
where: short stacking energy: -200.919
Base-Backbone interact. energy: 1.782
local terms energy: -353.634406
where:
bonds (distance) C4'-P energy: -95.292
bonds (distance) P-C4' energy: -117.439
flat angles C4'-P-C4' energy: -93.979
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -480.118508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.118508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.118508 (E_RNA)
where:
Base-Base interactions energy: -170.706
where: short stacking energy: -128.224
Base-Backbone interact. energy: 5.071
local terms energy: -314.483764
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -89.649
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: 35.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2126.477468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.477468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.477468 (E_RNA)
where:
Base-Base interactions energy: -1467.014
where: short stacking energy: -638.289
Base-Backbone interact. energy: -4.095
local terms energy: -655.369124
where:
bonds (distance) C4'-P energy: -112.969
bonds (distance) P-C4' energy: -123.700
flat angles C4'-P-C4' energy: -146.689
flat angles P-C4'-P energy: -94.340
tors. eta vs tors. theta energy: -177.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2061.989282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.989282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.989282 (E_RNA)
where:
Base-Base interactions energy: -1389.922
where: short stacking energy: -582.800
Base-Backbone interact. energy: -7.427
local terms energy: -664.640253
where:
bonds (distance) C4'-P energy: -135.170
bonds (distance) P-C4' energy: -121.998
flat angles C4'-P-C4' energy: -142.385
flat angles P-C4'-P energy: -100.482
tors. eta vs tors. theta energy: -164.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1938.470792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.470792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.470792 (E_RNA)
where:
Base-Base interactions energy: -1354.619
where: short stacking energy: -589.696
Base-Backbone interact. energy: -1.638
local terms energy: -582.213362
where:
bonds (distance) C4'-P energy: -102.641
bonds (distance) P-C4' energy: -122.006
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -159.875
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: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1874.533370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.533370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.533370 (E_RNA)
where:
Base-Base interactions energy: -1254.581
where: short stacking energy: -564.610
Base-Backbone interact. energy: -1.439
local terms energy: -618.514159
where:
bonds (distance) C4'-P energy: -121.107
bonds (distance) P-C4' energy: -114.046
flat angles C4'-P-C4' energy: -119.911
flat angles P-C4'-P energy: -82.959
tors. eta vs tors. theta energy: -180.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1718.416025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.416025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.416025 (E_RNA)
where:
Base-Base interactions energy: -1174.642
where: short stacking energy: -489.922
Base-Backbone interact. energy: -2.997
local terms energy: -540.777681
where:
bonds (distance) C4'-P energy: -106.755
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -123.255
flat angles P-C4'-P energy: -81.413
tors. eta vs tors. theta energy: -129.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1491.079033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.079033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.079033 (E_RNA)
where:
Base-Base interactions energy: -982.182
where: short stacking energy: -421.640
Base-Backbone interact. energy: 1.724
local terms energy: -510.621685
where:
bonds (distance) C4'-P energy: -111.937
bonds (distance) P-C4' energy: -104.343
flat angles C4'-P-C4' energy: -122.253
flat angles P-C4'-P energy: -67.016
tors. eta vs tors. theta energy: -105.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1281.005491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.005491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.005491 (E_RNA)
where:
Base-Base interactions energy: -796.909
where: short stacking energy: -378.969
Base-Backbone interact. energy: -1.099
local terms energy: -482.998274
where:
bonds (distance) C4'-P energy: -111.400
bonds (distance) P-C4' energy: -128.242
flat angles C4'-P-C4' energy: -88.145
flat angles P-C4'-P energy: -76.787
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: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -945.789308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.789308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.789308 (E_RNA)
where:
Base-Base interactions energy: -571.659
where: short stacking energy: -294.956
Base-Backbone interact. energy: -0.830
local terms energy: -373.299425
where:
bonds (distance) C4'-P energy: -102.819
bonds (distance) P-C4' energy: -106.395
flat angles C4'-P-C4' energy: -86.909
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -28.011
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -687.730377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.730377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.730377 (E_RNA)
where:
Base-Base interactions energy: -306.663
where: short stacking energy: -202.198
Base-Backbone interact. energy: 0.461
local terms energy: -381.529035
where:
bonds (distance) C4'-P energy: -113.519
bonds (distance) P-C4' energy: -100.217
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -521.507068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.507068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.507068 (E_RNA)
where:
Base-Base interactions energy: -187.856
where: short stacking energy: -160.814
Base-Backbone interact. energy: 5.783
local terms energy: -339.434170
where:
bonds (distance) C4'-P energy: -100.970
bonds (distance) P-C4' energy: -114.821
flat angles C4'-P-C4' energy: -96.393
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: 20.199
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: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2104.691138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.691138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.691138 (E_RNA)
where:
Base-Base interactions energy: -1465.281
where: short stacking energy: -622.615
Base-Backbone interact. energy: -5.532
local terms energy: -633.877730
where:
bonds (distance) C4'-P energy: -117.182
bonds (distance) P-C4' energy: -120.695
flat angles C4'-P-C4' energy: -135.900
flat angles P-C4'-P energy: -93.727
tors. eta vs tors. theta energy: -166.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2056.999934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.999934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.999934 (E_RNA)
where:
Base-Base interactions energy: -1402.901
where: short stacking energy: -581.650
Base-Backbone interact. energy: -1.526
local terms energy: -652.572311
where:
bonds (distance) C4'-P energy: -116.334
bonds (distance) P-C4' energy: -116.280
flat angles C4'-P-C4' energy: -143.826
flat angles P-C4'-P energy: -102.279
tors. eta vs tors. theta energy: -173.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1930.969952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.969952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.969952 (E_RNA)
where:
Base-Base interactions energy: -1310.083
where: short stacking energy: -545.113
Base-Backbone interact. energy: -1.331
local terms energy: -619.555689
where:
bonds (distance) C4'-P energy: -109.618
bonds (distance) P-C4' energy: -138.952
flat angles C4'-P-C4' energy: -129.795
flat angles P-C4'-P energy: -87.400
tors. eta vs tors. theta energy: -153.791
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: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1897.195822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.195822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.195822 (E_RNA)
where:
Base-Base interactions energy: -1260.162
where: short stacking energy: -574.170
Base-Backbone interact. energy: -0.756
local terms energy: -636.277903
where:
bonds (distance) C4'-P energy: -131.383
bonds (distance) P-C4' energy: -107.966
flat angles C4'-P-C4' energy: -149.182
flat angles P-C4'-P energy: -81.544
tors. eta vs tors. theta energy: -166.204
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: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1681.804144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.804144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.804144 (E_RNA)
where:
Base-Base interactions energy: -1116.712
where: short stacking energy: -466.136
Base-Backbone interact. energy: -2.295
local terms energy: -562.796757
where:
bonds (distance) C4'-P energy: -123.834
bonds (distance) P-C4' energy: -107.760
flat angles C4'-P-C4' energy: -116.124
flat angles P-C4'-P energy: -88.188
tors. eta vs tors. theta energy: -126.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1504.484658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.484658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.484658 (E_RNA)
where:
Base-Base interactions energy: -986.386
where: short stacking energy: -473.095
Base-Backbone interact. energy: 2.902
local terms energy: -521.000809
where:
bonds (distance) C4'-P energy: -98.219
bonds (distance) P-C4' energy: -108.351
flat angles C4'-P-C4' energy: -123.279
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -113.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1311.674845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.674845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.674845 (E_RNA)
where:
Base-Base interactions energy: -811.469
where: short stacking energy: -373.681
Base-Backbone interact. energy: -1.793
local terms energy: -498.412221
where:
bonds (distance) C4'-P energy: -90.615
bonds (distance) P-C4' energy: -118.445
flat angles C4'-P-C4' energy: -117.683
flat angles P-C4'-P energy: -71.697
tors. eta vs tors. theta energy: -99.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1033.677436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.677436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.677436 (E_RNA)
where:
Base-Base interactions energy: -615.851
where: short stacking energy: -304.937
Base-Backbone interact. energy: 7.765
local terms energy: -425.591606
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -107.427
flat angles C4'-P-C4' energy: -106.520
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -688.074685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.074685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.074685 (E_RNA)
where:
Base-Base interactions energy: -321.495
where: short stacking energy: -219.447
Base-Backbone interact. energy: -0.584
local terms energy: -365.996037
where:
bonds (distance) C4'-P energy: -105.536
bonds (distance) P-C4' energy: -97.151
flat angles C4'-P-C4' energy: -90.179
flat angles P-C4'-P energy: -70.423
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -523.410184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.410184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.410184 (E_RNA)
where:
Base-Base interactions energy: -226.284
where: short stacking energy: -162.221
Base-Backbone interact. energy: 2.200
local terms energy: -299.326385
where:
bonds (distance) C4'-P energy: -99.146
bonds (distance) P-C4' energy: -99.513
flat angles C4'-P-C4' energy: -72.053
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: 20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2112.612524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.612524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.612524 (E_RNA)
where:
Base-Base interactions energy: -1454.736
where: short stacking energy: -606.617
Base-Backbone interact. energy: 1.686
local terms energy: -659.562536
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -138.922
flat angles P-C4'-P energy: -95.778
tors. eta vs tors. theta energy: -162.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2037.708867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.708867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.708867 (E_RNA)
where:
Base-Base interactions energy: -1393.417
where: short stacking energy: -593.204
Base-Backbone interact. energy: -7.040
local terms energy: -637.251172
where:
bonds (distance) C4'-P energy: -137.643
bonds (distance) P-C4' energy: -128.124
flat angles C4'-P-C4' energy: -129.780
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -162.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1917.985962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.985962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.985962 (E_RNA)
where:
Base-Base interactions energy: -1314.621
where: short stacking energy: -567.574
Base-Backbone interact. energy: -2.887
local terms energy: -600.478065
where:
bonds (distance) C4'-P energy: -112.049
bonds (distance) P-C4' energy: -109.213
flat angles C4'-P-C4' energy: -131.027
flat angles P-C4'-P energy: -86.736
tors. eta vs tors. theta energy: -161.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1871.644508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.644508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.644508 (E_RNA)
where:
Base-Base interactions energy: -1246.748
where: short stacking energy: -564.991
Base-Backbone interact. energy: -3.372
local terms energy: -621.524056
where:
bonds (distance) C4'-P energy: -114.783
bonds (distance) P-C4' energy: -126.130
flat angles C4'-P-C4' energy: -122.519
flat angles P-C4'-P energy: -82.065
tors. eta vs tors. theta energy: -176.026
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1734.379194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.379194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.379194 (E_RNA)
where:
Base-Base interactions energy: -1165.898
where: short stacking energy: -488.790
Base-Backbone interact. energy: -4.150
local terms energy: -564.331076
where:
bonds (distance) C4'-P energy: -102.857
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -128.583
flat angles P-C4'-P energy: -73.796
tors. eta vs tors. theta energy: -130.184
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: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1459.191811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.191811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.191811 (E_RNA)
where:
Base-Base interactions energy: -928.248
where: short stacking energy: -422.405
Base-Backbone interact. energy: -3.776
local terms energy: -527.167752
where:
bonds (distance) C4'-P energy: -112.718
bonds (distance) P-C4' energy: -109.491
flat angles C4'-P-C4' energy: -118.061
flat angles P-C4'-P energy: -70.245
tors. eta vs tors. theta energy: -116.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1423.701929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.701929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.701929 (E_RNA)
where:
Base-Base interactions energy: -928.548
where: short stacking energy: -410.644
Base-Backbone interact. energy: -5.364
local terms energy: -489.789947
where:
bonds (distance) C4'-P energy: -100.495
bonds (distance) P-C4' energy: -112.512
flat angles C4'-P-C4' energy: -107.899
flat angles P-C4'-P energy: -66.738
tors. eta vs tors. theta energy: -102.147
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1024.837502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.837502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.837502 (E_RNA)
where:
Base-Base interactions energy: -606.064
where: short stacking energy: -298.833
Base-Backbone interact. energy: -1.391
local terms energy: -417.382466
where:
bonds (distance) C4'-P energy: -117.758
bonds (distance) P-C4' energy: -95.076
flat angles C4'-P-C4' energy: -84.285
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -37.864
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: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -700.584224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.584224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.584224 (E_RNA)
where:
Base-Base interactions energy: -329.448
where: short stacking energy: -201.129
Base-Backbone interact. energy: 1.392
local terms energy: -372.529067
where:
bonds (distance) C4'-P energy: -108.795
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -108.032
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -541.922631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.922631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.922631 (E_RNA)
where:
Base-Base interactions energy: -251.426
where: short stacking energy: -168.358
Base-Backbone interact. energy: 4.267
local terms energy: -294.763914
where:
bonds (distance) C4'-P energy: -95.990
bonds (distance) P-C4' energy: -96.605
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -44.063
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: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2115.339485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.339485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.339485 (E_RNA)
where:
Base-Base interactions energy: -1473.958
where: short stacking energy: -593.010
Base-Backbone interact. energy: -5.307
local terms energy: -636.074810
where:
bonds (distance) C4'-P energy: -122.177
bonds (distance) P-C4' energy: -119.916
flat angles C4'-P-C4' energy: -133.093
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -167.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2050.604618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.604618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.604618 (E_RNA)
where:
Base-Base interactions energy: -1399.655
where: short stacking energy: -593.667
Base-Backbone interact. energy: -5.542
local terms energy: -645.407345
where:
bonds (distance) C4'-P energy: -120.103
bonds (distance) P-C4' energy: -131.576
flat angles C4'-P-C4' energy: -144.582
flat angles P-C4'-P energy: -92.296
tors. eta vs tors. theta energy: -156.849
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: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1910.191737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.191737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.191737 (E_RNA)
where:
Base-Base interactions energy: -1302.333
where: short stacking energy: -577.011
Base-Backbone interact. energy: -4.130
local terms energy: -603.728378
where:
bonds (distance) C4'-P energy: -107.785
bonds (distance) P-C4' energy: -131.126
flat angles C4'-P-C4' energy: -138.250
flat angles P-C4'-P energy: -71.066
tors. eta vs tors. theta energy: -155.502
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: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1887.877255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.877255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.877255 (E_RNA)
where:
Base-Base interactions energy: -1269.110
where: short stacking energy: -541.612
Base-Backbone interact. energy: -2.747
local terms energy: -616.019844
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -127.558
flat angles C4'-P-C4' energy: -137.129
flat angles P-C4'-P energy: -95.638
tors. eta vs tors. theta energy: -151.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1744.507613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.507613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.507613 (E_RNA)
where:
Base-Base interactions energy: -1149.030
where: short stacking energy: -504.954
Base-Backbone interact. energy: -1.390
local terms energy: -594.087741
where:
bonds (distance) C4'-P energy: -105.261
bonds (distance) P-C4' energy: -125.394
flat angles C4'-P-C4' energy: -137.867
flat angles P-C4'-P energy: -80.275
tors. eta vs tors. theta energy: -145.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1495.176166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.176166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.176166 (E_RNA)
where:
Base-Base interactions energy: -988.208
where: short stacking energy: -433.297
Base-Backbone interact. energy: -2.584
local terms energy: -504.384461
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -110.571
flat angles C4'-P-C4' energy: -120.554
flat angles P-C4'-P energy: -70.707
tors. eta vs tors. theta energy: -108.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1401.857906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.857906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.857906 (E_RNA)
where:
Base-Base interactions energy: -897.217
where: short stacking energy: -431.289
Base-Backbone interact. energy: 0.750
local terms energy: -505.391152
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -116.969
flat angles C4'-P-C4' energy: -124.300
flat angles P-C4'-P energy: -64.153
tors. eta vs tors. theta energy: -108.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1083.528006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.528006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.528006 (E_RNA)
where:
Base-Base interactions energy: -659.366
where: short stacking energy: -343.384
Base-Backbone interact. energy: -0.529
local terms energy: -423.632891
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -103.498
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -58.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -681.976700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.976700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.976700 (E_RNA)
where:
Base-Base interactions energy: -294.108
where: short stacking energy: -173.001
Base-Backbone interact. energy: -1.573
local terms energy: -386.295373
where:
bonds (distance) C4'-P energy: -112.631
bonds (distance) P-C4' energy: -103.939
flat angles C4'-P-C4' energy: -109.375
flat angles P-C4'-P energy: -56.711
tors. eta vs tors. theta energy: -3.639
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: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -572.181432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.181432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.181432 (E_RNA)
where:
Base-Base interactions energy: -241.238
where: short stacking energy: -145.114
Base-Backbone interact. energy: 0.808
local terms energy: -331.751626
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -106.987
flat angles C4'-P-C4' energy: -81.611
flat angles P-C4'-P energy: -61.490
tors. eta vs tors. theta energy: 15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2124.069306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.069306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.069306 (E_RNA)
where:
Base-Base interactions energy: -1479.208
where: short stacking energy: -620.545
Base-Backbone interact. energy: -1.873
local terms energy: -642.988626
where:
bonds (distance) C4'-P energy: -121.928
bonds (distance) P-C4' energy: -127.577
flat angles C4'-P-C4' energy: -134.264
flat angles P-C4'-P energy: -98.997
tors. eta vs tors. theta energy: -160.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2080.018584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.018584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.018584 (E_RNA)
where:
Base-Base interactions energy: -1445.308
where: short stacking energy: -608.210
Base-Backbone interact. energy: -4.043
local terms energy: -630.667833
where:
bonds (distance) C4'-P energy: -115.235
bonds (distance) P-C4' energy: -104.162
flat angles C4'-P-C4' energy: -146.134
flat angles P-C4'-P energy: -86.970
tors. eta vs tors. theta energy: -178.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1901.801627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.801627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.801627 (E_RNA)
where:
Base-Base interactions energy: -1297.541
where: short stacking energy: -543.274
Base-Backbone interact. energy: -2.651
local terms energy: -601.608945
where:
bonds (distance) C4'-P energy: -130.706
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -136.054
flat angles P-C4'-P energy: -89.698
tors. eta vs tors. theta energy: -139.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1826.850795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.850795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.850795 (E_RNA)
where:
Base-Base interactions energy: -1245.124
where: short stacking energy: -568.231
Base-Backbone interact. energy: -0.207
local terms energy: -581.520223
where:
bonds (distance) C4'-P energy: -108.654
bonds (distance) P-C4' energy: -104.978
flat angles C4'-P-C4' energy: -136.024
flat angles P-C4'-P energy: -81.629
tors. eta vs tors. theta energy: -150.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1761.889914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.889914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.889914 (E_RNA)
where:
Base-Base interactions energy: -1194.833
where: short stacking energy: -523.668
Base-Backbone interact. energy: -3.465
local terms energy: -563.592329
where:
bonds (distance) C4'-P energy: -102.673
bonds (distance) P-C4' energy: -117.619
flat angles C4'-P-C4' energy: -121.583
flat angles P-C4'-P energy: -84.332
tors. eta vs tors. theta energy: -137.385
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: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1458.454721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.454721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.454721 (E_RNA)
where:
Base-Base interactions energy: -947.052
where: short stacking energy: -425.537
Base-Backbone interact. energy: -0.793
local terms energy: -510.609935
where:
bonds (distance) C4'-P energy: -94.342
bonds (distance) P-C4' energy: -117.007
flat angles C4'-P-C4' energy: -108.711
flat angles P-C4'-P energy: -69.165
tors. eta vs tors. theta energy: -121.385
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: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1363.038699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.038699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.038699 (E_RNA)
where:
Base-Base interactions energy: -862.805
where: short stacking energy: -391.903
Base-Backbone interact. energy: -0.366
local terms energy: -499.868496
where:
bonds (distance) C4'-P energy: -121.836
bonds (distance) P-C4' energy: -110.738
flat angles C4'-P-C4' energy: -107.713
flat angles P-C4'-P energy: -63.728
tors. eta vs tors. theta energy: -95.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1093.054995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.054995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.054995 (E_RNA)
where:
Base-Base interactions energy: -674.211
where: short stacking energy: -337.779
Base-Backbone interact. energy: 0.450
local terms energy: -419.293862
where:
bonds (distance) C4'-P energy: -97.998
bonds (distance) P-C4' energy: -105.637
flat angles C4'-P-C4' energy: -89.358
flat angles P-C4'-P energy: -64.022
tors. eta vs tors. theta energy: -62.279
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: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -679.104040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.104040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.104040 (E_RNA)
where:
Base-Base interactions energy: -317.875
where: short stacking energy: -200.493
Base-Backbone interact. energy: 1.560
local terms energy: -362.789374
where:
bonds (distance) C4'-P energy: -99.068
bonds (distance) P-C4' energy: -99.257
flat angles C4'-P-C4' energy: -105.601
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -534.097556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.097556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.097556 (E_RNA)
where:
Base-Base interactions energy: -226.538
where: short stacking energy: -160.326
Base-Backbone interact. energy: 1.649
local terms energy: -309.208179
where:
bonds (distance) C4'-P energy: -97.049
bonds (distance) P-C4' energy: -112.903
flat angles C4'-P-C4' energy: -77.847
flat angles P-C4'-P energy: -27.615
tors. eta vs tors. theta energy: 6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2094.944443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.944443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.944443 (E_RNA)
where:
Base-Base interactions energy: -1444.679
where: short stacking energy: -617.200
Base-Backbone interact. energy: -2.139
local terms energy: -648.126553
where:
bonds (distance) C4'-P energy: -113.069
bonds (distance) P-C4' energy: -123.639
flat angles C4'-P-C4' energy: -139.533
flat angles P-C4'-P energy: -98.256
tors. eta vs tors. theta energy: -173.630
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: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2081.997227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.997227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.997227 (E_RNA)
where:
Base-Base interactions energy: -1457.742
where: short stacking energy: -584.152
Base-Backbone interact. energy: -7.467
local terms energy: -616.788240
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -121.276
flat angles C4'-P-C4' energy: -130.823
flat angles P-C4'-P energy: -88.493
tors. eta vs tors. theta energy: -159.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1923.195211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.195211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.195211 (E_RNA)
where:
Base-Base interactions energy: -1283.478
where: short stacking energy: -575.180
Base-Backbone interact. energy: -3.084
local terms energy: -636.632486
where:
bonds (distance) C4'-P energy: -121.133
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -135.545
flat angles P-C4'-P energy: -81.361
tors. eta vs tors. theta energy: -180.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1867.265486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.265486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.265486 (E_RNA)
where:
Base-Base interactions energy: -1280.468
where: short stacking energy: -522.412
Base-Backbone interact. energy: -2.409
local terms energy: -584.387972
where:
bonds (distance) C4'-P energy: -117.974
bonds (distance) P-C4' energy: -121.408
flat angles C4'-P-C4' energy: -123.414
flat angles P-C4'-P energy: -77.543
tors. eta vs tors. theta energy: -144.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1757.930780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.930780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.930780 (E_RNA)
where:
Base-Base interactions energy: -1181.648
where: short stacking energy: -505.229
Base-Backbone interact. energy: -1.245
local terms energy: -575.037933
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -109.217
flat angles C4'-P-C4' energy: -140.564
flat angles P-C4'-P energy: -84.236
tors. eta vs tors. theta energy: -136.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1484.779751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.779751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.779751 (E_RNA)
where:
Base-Base interactions energy: -978.072
where: short stacking energy: -440.362
Base-Backbone interact. energy: -1.551
local terms energy: -505.157044
where:
bonds (distance) C4'-P energy: -110.892
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -106.171
flat angles P-C4'-P energy: -52.448
tors. eta vs tors. theta energy: -124.766
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: 220
Temperature: 1.200000
Total energy: -1321.053697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.053697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.053697 (E_RNA)
where:
Base-Base interactions energy: -852.201
where: short stacking energy: -419.330
Base-Backbone interact. energy: -1.863
local terms energy: -466.990120
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -93.518
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -102.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1162.979994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.979994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.979994 (E_RNA)
where:
Base-Base interactions energy: -708.908
where: short stacking energy: -343.991
Base-Backbone interact. energy: 0.280
local terms energy: -454.351982
where:
bonds (distance) C4'-P energy: -111.074
bonds (distance) P-C4' energy: -118.078
flat angles C4'-P-C4' energy: -95.682
flat angles P-C4'-P energy: -72.509
tors. eta vs tors. theta energy: -57.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -705.377380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.377380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.377380 (E_RNA)
where:
Base-Base interactions energy: -315.802
where: short stacking energy: -189.443
Base-Backbone interact. energy: -5.813
local terms energy: -383.762849
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -98.717
flat angles P-C4'-P energy: -40.612
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -555.820390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.820390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.820390 (E_RNA)
where:
Base-Base interactions energy: -248.432
where: short stacking energy: -178.475
Base-Backbone interact. energy: 1.859
local terms energy: -309.247523
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -104.314
flat angles C4'-P-C4' energy: -71.352
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2119.596457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.596457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.596457 (E_RNA)
where:
Base-Base interactions energy: -1438.041
where: short stacking energy: -600.347
Base-Backbone interact. energy: -3.018
local terms energy: -678.537521
where:
bonds (distance) C4'-P energy: -120.289
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -135.227
flat angles P-C4'-P energy: -101.400
tors. eta vs tors. theta energy: -187.947
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: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2074.437204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.437204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.437204 (E_RNA)
where:
Base-Base interactions energy: -1409.581
where: short stacking energy: -603.624
Base-Backbone interact. energy: -2.080
local terms energy: -662.776285
where:
bonds (distance) C4'-P energy: -134.026
bonds (distance) P-C4' energy: -128.776
flat angles C4'-P-C4' energy: -144.208
flat angles P-C4'-P energy: -92.363
tors. eta vs tors. theta energy: -163.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1939.017421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.017421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.017421 (E_RNA)
where:
Base-Base interactions energy: -1311.961
where: short stacking energy: -586.887
Base-Backbone interact. energy: -1.727
local terms energy: -625.329713
where:
bonds (distance) C4'-P energy: -112.587
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -135.061
flat angles P-C4'-P energy: -94.408
tors. eta vs tors. theta energy: -173.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1845.823391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.823391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.823391 (E_RNA)
where:
Base-Base interactions energy: -1261.415
where: short stacking energy: -514.304
Base-Backbone interact. energy: 3.535
local terms energy: -587.943002
where:
bonds (distance) C4'-P energy: -121.697
bonds (distance) P-C4' energy: -116.402
flat angles C4'-P-C4' energy: -129.926
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -136.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1767.192684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.192684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.192684 (E_RNA)
where:
Base-Base interactions energy: -1202.142
where: short stacking energy: -510.771
Base-Backbone interact. energy: -2.825
local terms energy: -562.225548
where:
bonds (distance) C4'-P energy: -108.834
bonds (distance) P-C4' energy: -121.428
flat angles C4'-P-C4' energy: -111.373
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -146.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1480.764558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.764558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.764558 (E_RNA)
where:
Base-Base interactions energy: -947.697
where: short stacking energy: -433.209
Base-Backbone interact. energy: -2.879
local terms energy: -530.188323
where:
bonds (distance) C4'-P energy: -113.648
bonds (distance) P-C4' energy: -113.413
flat angles C4'-P-C4' energy: -119.730
flat angles P-C4'-P energy: -77.402
tors. eta vs tors. theta energy: -105.995
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: 221
Temperature: 1.200000
Total energy: -1382.803781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.803781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.803781 (E_RNA)
where:
Base-Base interactions energy: -879.679
where: short stacking energy: -404.004
Base-Backbone interact. energy: -2.468
local terms energy: -500.656904
where:
bonds (distance) C4'-P energy: -103.071
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -102.596
flat angles P-C4'-P energy: -79.371
tors. eta vs tors. theta energy: -119.283
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1054.538192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.538192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.538192 (E_RNA)
where:
Base-Base interactions energy: -643.382
where: short stacking energy: -299.570
Base-Backbone interact. energy: -4.286
local terms energy: -406.870124
where:
bonds (distance) C4'-P energy: -104.913
bonds (distance) P-C4' energy: -90.351
flat angles C4'-P-C4' energy: -103.782
flat angles P-C4'-P energy: -57.109
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -597.322931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.322931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.322931 (E_RNA)
where:
Base-Base interactions energy: -237.121
where: short stacking energy: -171.770
Base-Backbone interact. energy: 8.309
local terms energy: -368.511066
where:
bonds (distance) C4'-P energy: -100.569
bonds (distance) P-C4' energy: -112.642
flat angles C4'-P-C4' energy: -100.979
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -562.884761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.884761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.884761 (E_RNA)
where:
Base-Base interactions energy: -240.355
where: short stacking energy: -159.165
Base-Backbone interact. energy: -2.375
local terms energy: -320.154636
where:
bonds (distance) C4'-P energy: -99.291
bonds (distance) P-C4' energy: -90.206
flat angles C4'-P-C4' energy: -103.364
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: 20.675
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: 222
Temperature: 0.900000
Total energy: -2110.745414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.745414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.745414 (E_RNA)
where:
Base-Base interactions energy: -1423.964
where: short stacking energy: -627.015
Base-Backbone interact. energy: -4.063
local terms energy: -682.719157
where:
bonds (distance) C4'-P energy: -123.913
bonds (distance) P-C4' energy: -133.275
flat angles C4'-P-C4' energy: -155.321
flat angles P-C4'-P energy: -85.311
tors. eta vs tors. theta energy: -184.898
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: 222
Temperature: 0.950000
Total energy: -2065.984167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.984167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.984167 (E_RNA)
where:
Base-Base interactions energy: -1412.645
where: short stacking energy: -590.124
Base-Backbone interact. energy: -4.220
local terms energy: -649.119253
where:
bonds (distance) C4'-P energy: -123.095
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -144.086
flat angles P-C4'-P energy: -93.923
tors. eta vs tors. theta energy: -156.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1933.452637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.452637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.452637 (E_RNA)
where:
Base-Base interactions energy: -1316.908
where: short stacking energy: -596.062
Base-Backbone interact. energy: -1.170
local terms energy: -615.374029
where:
bonds (distance) C4'-P energy: -111.967
bonds (distance) P-C4' energy: -116.235
flat angles C4'-P-C4' energy: -127.023
flat angles P-C4'-P energy: -92.087
tors. eta vs tors. theta energy: -168.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1846.333732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.333732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.333732 (E_RNA)
where:
Base-Base interactions energy: -1276.973
where: short stacking energy: -558.665
Base-Backbone interact. energy: -3.654
local terms energy: -565.706144
where:
bonds (distance) C4'-P energy: -90.863
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -79.803
tors. eta vs tors. theta energy: -150.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1761.770753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.770753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.770753 (E_RNA)
where:
Base-Base interactions energy: -1201.447
where: short stacking energy: -509.959
Base-Backbone interact. energy: -1.981
local terms energy: -558.341952
where:
bonds (distance) C4'-P energy: -103.541
bonds (distance) P-C4' energy: -107.044
flat angles C4'-P-C4' energy: -122.001
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -143.655
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: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1474.897868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.897868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.897868 (E_RNA)
where:
Base-Base interactions energy: -988.857
where: short stacking energy: -438.089
Base-Backbone interact. energy: -5.012
local terms energy: -481.029308
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -98.054
flat angles C4'-P-C4' energy: -105.215
flat angles P-C4'-P energy: -75.853
tors. eta vs tors. theta energy: -93.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1397.250404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.250404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.250404 (E_RNA)
where:
Base-Base interactions energy: -870.638
where: short stacking energy: -428.325
Base-Backbone interact. energy: -5.694
local terms energy: -520.917986
where:
bonds (distance) C4'-P energy: -109.283
bonds (distance) P-C4' energy: -118.096
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -69.762
tors. eta vs tors. theta energy: -109.544
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1028.113978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.113978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.113978 (E_RNA)
where:
Base-Base interactions energy: -610.029
where: short stacking energy: -291.752
Base-Backbone interact. energy: -0.279
local terms energy: -417.806484
where:
bonds (distance) C4'-P energy: -117.839
bonds (distance) P-C4' energy: -103.063
flat angles C4'-P-C4' energy: -110.623
flat angles P-C4'-P energy: -60.596
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -634.795338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.795338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.795338 (E_RNA)
where:
Base-Base interactions energy: -292.051
where: short stacking energy: -166.825
Base-Backbone interact. energy: 3.037
local terms energy: -345.781305
where:
bonds (distance) C4'-P energy: -75.959
bonds (distance) P-C4' energy: -117.489
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -52.841
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -558.802962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.802962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.802962 (E_RNA)
where:
Base-Base interactions energy: -240.299
where: short stacking energy: -147.851
Base-Backbone interact. energy: 0.804
local terms energy: -319.307909
where:
bonds (distance) C4'-P energy: -113.778
bonds (distance) P-C4' energy: -111.183
flat angles C4'-P-C4' energy: -85.094
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: 20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2113.011502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.011502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.011502 (E_RNA)
where:
Base-Base interactions energy: -1444.792
where: short stacking energy: -636.953
Base-Backbone interact. energy: -3.442
local terms energy: -664.777602
where:
bonds (distance) C4'-P energy: -119.747
bonds (distance) P-C4' energy: -127.876
flat angles C4'-P-C4' energy: -146.873
flat angles P-C4'-P energy: -96.505
tors. eta vs tors. theta energy: -173.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2086.359658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.359658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.359658 (E_RNA)
where:
Base-Base interactions energy: -1457.954
where: short stacking energy: -601.864
Base-Backbone interact. energy: -3.967
local terms energy: -624.439229
where:
bonds (distance) C4'-P energy: -117.438
bonds (distance) P-C4' energy: -127.531
flat angles C4'-P-C4' energy: -138.763
flat angles P-C4'-P energy: -83.395
tors. eta vs tors. theta energy: -157.312
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: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1950.315862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.315862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.315862 (E_RNA)
where:
Base-Base interactions energy: -1313.326
where: short stacking energy: -579.820
Base-Backbone interact. energy: -0.309
local terms energy: -636.681287
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -108.371
flat angles C4'-P-C4' energy: -144.468
flat angles P-C4'-P energy: -96.093
tors. eta vs tors. theta energy: -179.615
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: 223
Temperature: 1.050000
Total energy: -1872.196442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.196442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.196442 (E_RNA)
where:
Base-Base interactions energy: -1291.047
where: short stacking energy: -552.003
Base-Backbone interact. energy: -2.908
local terms energy: -578.240878
where:
bonds (distance) C4'-P energy: -102.632
bonds (distance) P-C4' energy: -130.666
flat angles C4'-P-C4' energy: -122.112
flat angles P-C4'-P energy: -78.029
tors. eta vs tors. theta energy: -144.803
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1719.383969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.383969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.383969 (E_RNA)
where:
Base-Base interactions energy: -1177.250
where: short stacking energy: -515.232
Base-Backbone interact. energy: -1.254
local terms energy: -540.879845
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -108.222
flat angles C4'-P-C4' energy: -110.124
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -123.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1460.142804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.142804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.142804 (E_RNA)
where:
Base-Base interactions energy: -923.589
where: short stacking energy: -406.735
Base-Backbone interact. energy: 0.272
local terms energy: -536.826223
where:
bonds (distance) C4'-P energy: -105.046
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -121.264
flat angles P-C4'-P energy: -79.462
tors. eta vs tors. theta energy: -108.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1314.901045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.901045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.901045 (E_RNA)
where:
Base-Base interactions energy: -805.612
where: short stacking energy: -386.640
Base-Backbone interact. energy: -0.591
local terms energy: -508.697678
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -116.268
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -98.940
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: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1089.161732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.161732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.161732 (E_RNA)
where:
Base-Base interactions energy: -664.760
where: short stacking energy: -310.126
Base-Backbone interact. energy: -1.053
local terms energy: -423.349290
where:
bonds (distance) C4'-P energy: -116.712
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -94.106
flat angles P-C4'-P energy: -54.023
tors. eta vs tors. theta energy: -46.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -600.213420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.213420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.213420 (E_RNA)
where:
Base-Base interactions energy: -254.857
where: short stacking energy: -155.739
Base-Backbone interact. energy: 1.427
local terms energy: -346.782835
where:
bonds (distance) C4'-P energy: -113.523
bonds (distance) P-C4' energy: -110.891
flat angles C4'-P-C4' energy: -76.182
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: 8.499
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: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -541.941793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.941793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.941793 (E_RNA)
where:
Base-Base interactions energy: -227.124
where: short stacking energy: -179.659
Base-Backbone interact. energy: 2.449
local terms energy: -317.265942
where:
bonds (distance) C4'-P energy: -91.907
bonds (distance) P-C4' energy: -95.562
flat angles C4'-P-C4' energy: -74.417
flat angles P-C4'-P energy: -64.077
tors. eta vs tors. theta energy: 8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2108.058270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.058270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.058270 (E_RNA)
where:
Base-Base interactions energy: -1439.300
where: short stacking energy: -609.315
Base-Backbone interact. energy: -1.778
local terms energy: -666.981028
where:
bonds (distance) C4'-P energy: -127.114
bonds (distance) P-C4' energy: -128.601
flat angles C4'-P-C4' energy: -140.944
flat angles P-C4'-P energy: -95.643
tors. eta vs tors. theta energy: -174.679
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: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2072.842010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.842010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.842010 (E_RNA)
where:
Base-Base interactions energy: -1430.365
where: short stacking energy: -601.693
Base-Backbone interact. energy: -2.503
local terms energy: -639.973993
where:
bonds (distance) C4'-P energy: -122.437
bonds (distance) P-C4' energy: -125.143
flat angles C4'-P-C4' energy: -140.376
flat angles P-C4'-P energy: -90.820
tors. eta vs tors. theta energy: -161.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1938.183660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.183660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.183660 (E_RNA)
where:
Base-Base interactions energy: -1315.606
where: short stacking energy: -598.867
Base-Backbone interact. energy: -0.830
local terms energy: -621.748358
where:
bonds (distance) C4'-P energy: -129.316
bonds (distance) P-C4' energy: -99.354
flat angles C4'-P-C4' energy: -129.361
flat angles P-C4'-P energy: -78.514
tors. eta vs tors. theta energy: -185.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1875.130955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.130955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.130955 (E_RNA)
where:
Base-Base interactions energy: -1288.307
where: short stacking energy: -541.448
Base-Backbone interact. energy: -1.459
local terms energy: -585.364859
where:
bonds (distance) C4'-P energy: -100.460
bonds (distance) P-C4' energy: -112.615
flat angles C4'-P-C4' energy: -141.776
flat angles P-C4'-P energy: -82.719
tors. eta vs tors. theta energy: -147.795
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: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1747.868461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.868461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.868461 (E_RNA)
where:
Base-Base interactions energy: -1193.989
where: short stacking energy: -503.161
Base-Backbone interact. energy: 4.255
local terms energy: -558.134852
where:
bonds (distance) C4'-P energy: -119.936
bonds (distance) P-C4' energy: -106.387
flat angles C4'-P-C4' energy: -115.025
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -127.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1526.062194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.062194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.062194 (E_RNA)
where:
Base-Base interactions energy: -987.558
where: short stacking energy: -424.469
Base-Backbone interact. energy: 3.341
local terms energy: -541.845304
where:
bonds (distance) C4'-P energy: -110.698
bonds (distance) P-C4' energy: -109.376
flat angles C4'-P-C4' energy: -128.334
flat angles P-C4'-P energy: -77.048
tors. eta vs tors. theta energy: -116.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1279.446889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.446889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.446889 (E_RNA)
where:
Base-Base interactions energy: -792.666
where: short stacking energy: -389.815
Base-Backbone interact. energy: -1.896
local terms energy: -484.885658
where:
bonds (distance) C4'-P energy: -97.786
bonds (distance) P-C4' energy: -102.790
flat angles C4'-P-C4' energy: -117.915
flat angles P-C4'-P energy: -75.584
tors. eta vs tors. theta energy: -90.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1078.203950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.203950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.203950 (E_RNA)
where:
Base-Base interactions energy: -676.387
where: short stacking energy: -323.170
Base-Backbone interact. energy: 3.091
local terms energy: -404.908334
where:
bonds (distance) C4'-P energy: -95.405
bonds (distance) P-C4' energy: -87.515
flat angles C4'-P-C4' energy: -102.173
flat angles P-C4'-P energy: -70.475
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -594.034360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.034360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.034360 (E_RNA)
where:
Base-Base interactions energy: -246.030
where: short stacking energy: -173.946
Base-Backbone interact. energy: 0.209
local terms energy: -348.213559
where:
bonds (distance) C4'-P energy: -91.619
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -96.892
flat angles P-C4'-P energy: -70.239
tors. eta vs tors. theta energy: 7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -604.428968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.428968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.428968 (E_RNA)
where:
Base-Base interactions energy: -239.181
where: short stacking energy: -159.838
Base-Backbone interact. energy: 8.441
local terms energy: -373.689143
where:
bonds (distance) C4'-P energy: -113.533
bonds (distance) P-C4' energy: -122.594
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: 4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2139.966121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.966121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.966121 (E_RNA)
where:
Base-Base interactions energy: -1475.369
where: short stacking energy: -626.711
Base-Backbone interact. energy: -5.321
local terms energy: -659.276864
where:
bonds (distance) C4'-P energy: -123.590
bonds (distance) P-C4' energy: -129.425
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -80.346
tors. eta vs tors. theta energy: -186.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2087.132571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.132571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.132571 (E_RNA)
where:
Base-Base interactions energy: -1440.276
where: short stacking energy: -592.893
Base-Backbone interact. energy: 1.934
local terms energy: -648.790815
where:
bonds (distance) C4'-P energy: -121.958
bonds (distance) P-C4' energy: -129.111
flat angles C4'-P-C4' energy: -144.959
flat angles P-C4'-P energy: -91.566
tors. eta vs tors. theta energy: -161.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1972.910345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.910345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.910345 (E_RNA)
where:
Base-Base interactions energy: -1321.793
where: short stacking energy: -578.674
Base-Backbone interact. energy: 1.912
local terms energy: -653.028782
where:
bonds (distance) C4'-P energy: -118.735
bonds (distance) P-C4' energy: -118.513
flat angles C4'-P-C4' energy: -143.027
flat angles P-C4'-P energy: -84.409
tors. eta vs tors. theta energy: -188.345
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1843.975757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.975757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.975757 (E_RNA)
where:
Base-Base interactions energy: -1275.430
where: short stacking energy: -546.577
Base-Backbone interact. energy: -2.538
local terms energy: -566.007579
where:
bonds (distance) C4'-P energy: -110.498
bonds (distance) P-C4' energy: -108.756
flat angles C4'-P-C4' energy: -125.754
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -138.316
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: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1731.176650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.176650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.176650 (E_RNA)
where:
Base-Base interactions energy: -1159.285
where: short stacking energy: -516.255
Base-Backbone interact. energy: -4.868
local terms energy: -567.023645
where:
bonds (distance) C4'-P energy: -98.472
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -126.118
flat angles P-C4'-P energy: -75.544
tors. eta vs tors. theta energy: -147.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1353.969826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.969826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.969826 (E_RNA)
where:
Base-Base interactions energy: -844.201
where: short stacking energy: -419.666
Base-Backbone interact. energy: -2.732
local terms energy: -507.036823
where:
bonds (distance) C4'-P energy: -116.800
bonds (distance) P-C4' energy: -107.490
flat angles C4'-P-C4' energy: -122.865
flat angles P-C4'-P energy: -82.279
tors. eta vs tors. theta energy: -77.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1293.409490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.409490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.409490 (E_RNA)
where:
Base-Base interactions energy: -809.705
where: short stacking energy: -377.468
Base-Backbone interact. energy: -3.657
local terms energy: -480.047429
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -92.366
flat angles C4'-P-C4' energy: -114.783
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -87.958
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: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1072.099888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.099888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.099888 (E_RNA)
where:
Base-Base interactions energy: -657.756
where: short stacking energy: -309.032
Base-Backbone interact. energy: 3.110
local terms energy: -417.453267
where:
bonds (distance) C4'-P energy: -104.606
bonds (distance) P-C4' energy: -108.968
flat angles C4'-P-C4' energy: -95.886
flat angles P-C4'-P energy: -55.621
tors. eta vs tors. theta energy: -52.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -654.581880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.581880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.581880 (E_RNA)
where:
Base-Base interactions energy: -310.887
where: short stacking energy: -202.203
Base-Backbone interact. energy: 0.706
local terms energy: -344.400459
where:
bonds (distance) C4'-P energy: -94.428
bonds (distance) P-C4' energy: -111.707
flat angles C4'-P-C4' energy: -97.412
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: 17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -586.252324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.252324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.252324 (E_RNA)
where:
Base-Base interactions energy: -271.501
where: short stacking energy: -178.758
Base-Backbone interact. energy: 0.483
local terms energy: -315.233533
where:
bonds (distance) C4'-P energy: -100.430
bonds (distance) P-C4' energy: -96.750
flat angles C4'-P-C4' energy: -86.560
flat angles P-C4'-P energy: -52.339
tors. eta vs tors. theta energy: 20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2110.350348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.350348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.350348 (E_RNA)
where:
Base-Base interactions energy: -1455.188
where: short stacking energy: -620.055
Base-Backbone interact. energy: -1.213
local terms energy: -653.949292
where:
bonds (distance) C4'-P energy: -117.067
bonds (distance) P-C4' energy: -137.985
flat angles C4'-P-C4' energy: -143.837
flat angles P-C4'-P energy: -78.104
tors. eta vs tors. theta energy: -176.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2087.723726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.723726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.723726 (E_RNA)
where:
Base-Base interactions energy: -1419.953
where: short stacking energy: -599.451
Base-Backbone interact. energy: -3.187
local terms energy: -664.583505
where:
bonds (distance) C4'-P energy: -138.682
bonds (distance) P-C4' energy: -129.868
flat angles C4'-P-C4' energy: -152.475
flat angles P-C4'-P energy: -80.833
tors. eta vs tors. theta energy: -162.724
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1921.295682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.295682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.295682 (E_RNA)
where:
Base-Base interactions energy: -1295.650
where: short stacking energy: -576.868
Base-Backbone interact. energy: -1.060
local terms energy: -624.585275
where:
bonds (distance) C4'-P energy: -119.621
bonds (distance) P-C4' energy: -114.152
flat angles C4'-P-C4' energy: -138.811
flat angles P-C4'-P energy: -88.413
tors. eta vs tors. theta energy: -163.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1820.752497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.752497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.752497 (E_RNA)
where:
Base-Base interactions energy: -1257.732
where: short stacking energy: -515.303
Base-Backbone interact. energy: -0.388
local terms energy: -562.633005
where:
bonds (distance) C4'-P energy: -118.887
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -117.631
flat angles P-C4'-P energy: -72.766
tors. eta vs tors. theta energy: -143.778
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: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1714.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.321210 (E_RNA)
where:
Base-Base interactions energy: -1158.591
where: short stacking energy: -506.152
Base-Backbone interact. energy: -0.278
local terms energy: -555.451998
where:
bonds (distance) C4'-P energy: -108.761
bonds (distance) P-C4' energy: -108.090
flat angles C4'-P-C4' energy: -120.493
flat angles P-C4'-P energy: -87.300
tors. eta vs tors. theta energy: -130.808
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: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1409.577258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.577258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.577258 (E_RNA)
where:
Base-Base interactions energy: -889.068
where: short stacking energy: -423.820
Base-Backbone interact. energy: -5.630
local terms energy: -514.879845
where:
bonds (distance) C4'-P energy: -115.661
bonds (distance) P-C4' energy: -106.786
flat angles C4'-P-C4' energy: -120.580
flat angles P-C4'-P energy: -68.164
tors. eta vs tors. theta energy: -103.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1309.593852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.593852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.593852 (E_RNA)
where:
Base-Base interactions energy: -797.141
where: short stacking energy: -382.533
Base-Backbone interact. energy: -2.040
local terms energy: -510.413344
where:
bonds (distance) C4'-P energy: -120.536
bonds (distance) P-C4' energy: -113.753
flat angles C4'-P-C4' energy: -112.215
flat angles P-C4'-P energy: -76.402
tors. eta vs tors. theta energy: -87.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1138.264459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.264459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.264459 (E_RNA)
where:
Base-Base interactions energy: -706.399
where: short stacking energy: -323.296
Base-Backbone interact. energy: 0.562
local terms energy: -432.427685
where:
bonds (distance) C4'-P energy: -97.288
bonds (distance) P-C4' energy: -109.601
flat angles C4'-P-C4' energy: -119.996
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -53.574
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: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -668.151978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.151978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.151978 (E_RNA)
where:
Base-Base interactions energy: -313.759
where: short stacking energy: -182.766
Base-Backbone interact. energy: 1.903
local terms energy: -356.296794
where:
bonds (distance) C4'-P energy: -96.079
bonds (distance) P-C4' energy: -100.440
flat angles C4'-P-C4' energy: -110.190
flat angles P-C4'-P energy: -58.110
tors. eta vs tors. theta energy: 8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -575.305725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.305725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.305725 (E_RNA)
where:
Base-Base interactions energy: -246.904
where: short stacking energy: -159.298
Base-Backbone interact. energy: -1.412
local terms energy: -326.990294
where:
bonds (distance) C4'-P energy: -113.563
bonds (distance) P-C4' energy: -99.328
flat angles C4'-P-C4' energy: -94.357
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: 9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2134.483953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.483953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.483953 (E_RNA)
where:
Base-Base interactions energy: -1447.361
where: short stacking energy: -603.762
Base-Backbone interact. energy: -3.877
local terms energy: -683.246113
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -133.163
flat angles C4'-P-C4' energy: -144.132
flat angles P-C4'-P energy: -93.115
tors. eta vs tors. theta energy: -183.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2057.280632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.280632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.280632 (E_RNA)
where:
Base-Base interactions energy: -1401.883
where: short stacking energy: -602.643
Base-Backbone interact. energy: -2.603
local terms energy: -652.794219
where:
bonds (distance) C4'-P energy: -116.823
bonds (distance) P-C4' energy: -143.424
flat angles C4'-P-C4' energy: -141.195
flat angles P-C4'-P energy: -82.596
tors. eta vs tors. theta energy: -168.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1925.162089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.162089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.162089 (E_RNA)
where:
Base-Base interactions energy: -1300.074
where: short stacking energy: -592.509
Base-Backbone interact. energy: -1.089
local terms energy: -623.998879
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -122.658
flat angles C4'-P-C4' energy: -128.036
flat angles P-C4'-P energy: -66.185
tors. eta vs tors. theta energy: -175.671
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: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1824.073970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.073970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.073970 (E_RNA)
where:
Base-Base interactions energy: -1247.675
where: short stacking energy: -536.641
Base-Backbone interact. energy: -2.447
local terms energy: -573.951444
where:
bonds (distance) C4'-P energy: -109.158
bonds (distance) P-C4' energy: -115.134
flat angles C4'-P-C4' energy: -124.589
flat angles P-C4'-P energy: -81.940
tors. eta vs tors. theta energy: -143.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1711.011475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.011475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.011475 (E_RNA)
where:
Base-Base interactions energy: -1152.023
where: short stacking energy: -504.575
Base-Backbone interact. energy: -2.400
local terms energy: -556.588250
where:
bonds (distance) C4'-P energy: -116.214
bonds (distance) P-C4' energy: -96.275
flat angles C4'-P-C4' energy: -124.238
flat angles P-C4'-P energy: -68.569
tors. eta vs tors. theta energy: -151.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1405.918046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.918046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.918046 (E_RNA)
where:
Base-Base interactions energy: -886.073
where: short stacking energy: -405.328
Base-Backbone interact. energy: -3.962
local terms energy: -515.883789
where:
bonds (distance) C4'-P energy: -125.306
bonds (distance) P-C4' energy: -100.431
flat angles C4'-P-C4' energy: -124.253
flat angles P-C4'-P energy: -67.989
tors. eta vs tors. theta energy: -97.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1310.877920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.877920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.877920 (E_RNA)
where:
Base-Base interactions energy: -855.519
where: short stacking energy: -410.400
Base-Backbone interact. energy: -0.343
local terms energy: -455.015986
where:
bonds (distance) C4'-P energy: -94.233
bonds (distance) P-C4' energy: -98.858
flat angles C4'-P-C4' energy: -100.955
flat angles P-C4'-P energy: -62.538
tors. eta vs tors. theta energy: -98.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1132.245826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.245826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.245826 (E_RNA)
where:
Base-Base interactions energy: -717.551
where: short stacking energy: -327.744
Base-Backbone interact. energy: 1.925
local terms energy: -416.619416
where:
bonds (distance) C4'-P energy: -99.193
bonds (distance) P-C4' energy: -88.370
flat angles C4'-P-C4' energy: -107.846
flat angles P-C4'-P energy: -55.288
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: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -676.534459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.534459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.534459 (E_RNA)
where:
Base-Base interactions energy: -306.003
where: short stacking energy: -187.936
Base-Backbone interact. energy: -2.529
local terms energy: -368.002438
where:
bonds (distance) C4'-P energy: -109.094
bonds (distance) P-C4' energy: -111.335
flat angles C4'-P-C4' energy: -103.148
flat angles P-C4'-P energy: -51.654
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: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -574.017647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.017647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.017647 (E_RNA)
where:
Base-Base interactions energy: -261.459
where: short stacking energy: -189.436
Base-Backbone interact. energy: 5.037
local terms energy: -317.595521
where:
bonds (distance) C4'-P energy: -109.460
bonds (distance) P-C4' energy: -93.694
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: 11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2118.467089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.467089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.467089 (E_RNA)
where:
Base-Base interactions energy: -1454.165
where: short stacking energy: -599.178
Base-Backbone interact. energy: -1.682
local terms energy: -662.620040
where:
bonds (distance) C4'-P energy: -125.026
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -134.101
flat angles P-C4'-P energy: -93.910
tors. eta vs tors. theta energy: -177.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2022.972880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.972880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.972880 (E_RNA)
where:
Base-Base interactions energy: -1388.555
where: short stacking energy: -571.546
Base-Backbone interact. energy: -3.963
local terms energy: -630.455120
where:
bonds (distance) C4'-P energy: -115.545
bonds (distance) P-C4' energy: -132.586
flat angles C4'-P-C4' energy: -134.512
flat angles P-C4'-P energy: -100.582
tors. eta vs tors. theta energy: -147.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1933.874364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.874364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.874364 (E_RNA)
where:
Base-Base interactions energy: -1298.558
where: short stacking energy: -590.745
Base-Backbone interact. energy: -3.279
local terms energy: -632.037500
where:
bonds (distance) C4'-P energy: -120.283
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -138.859
flat angles P-C4'-P energy: -93.089
tors. eta vs tors. theta energy: -173.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1863.125457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.125457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.125457 (E_RNA)
where:
Base-Base interactions energy: -1271.726
where: short stacking energy: -558.310
Base-Backbone interact. energy: -5.373
local terms energy: -586.026118
where:
bonds (distance) C4'-P energy: -118.520
bonds (distance) P-C4' energy: -116.131
flat angles C4'-P-C4' energy: -115.203
flat angles P-C4'-P energy: -77.387
tors. eta vs tors. theta energy: -158.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1775.090094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.090094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.090094 (E_RNA)
where:
Base-Base interactions energy: -1220.669
where: short stacking energy: -520.627
Base-Backbone interact. energy: 0.783
local terms energy: -555.203418
where:
bonds (distance) C4'-P energy: -118.481
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -112.871
flat angles P-C4'-P energy: -70.948
tors. eta vs tors. theta energy: -137.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1415.755441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.755441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.755441 (E_RNA)
where:
Base-Base interactions energy: -927.643
where: short stacking energy: -407.740
Base-Backbone interact. energy: -2.174
local terms energy: -485.938763
where:
bonds (distance) C4'-P energy: -108.927
bonds (distance) P-C4' energy: -107.562
flat angles C4'-P-C4' energy: -115.615
flat angles P-C4'-P energy: -71.938
tors. eta vs tors. theta energy: -81.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1263.664293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.664293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.664293 (E_RNA)
where:
Base-Base interactions energy: -772.136
where: short stacking energy: -364.282
Base-Backbone interact. energy: 0.503
local terms energy: -492.031412
where:
bonds (distance) C4'-P energy: -102.571
bonds (distance) P-C4' energy: -113.100
flat angles C4'-P-C4' energy: -123.707
flat angles P-C4'-P energy: -69.612
tors. eta vs tors. theta energy: -83.041
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: 228
Temperature: 1.250000
Total energy: -962.412616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.412616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.412616 (E_RNA)
where:
Base-Base interactions energy: -560.545
where: short stacking energy: -293.400
Base-Backbone interact. energy: 2.616
local terms energy: -404.483839
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -116.939
flat angles P-C4'-P energy: -62.815
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -697.529702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.529702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.529702 (E_RNA)
where:
Base-Base interactions energy: -360.055
where: short stacking energy: -177.813
Base-Backbone interact. energy: 6.326
local terms energy: -343.801071
where:
bonds (distance) C4'-P energy: -101.490
bonds (distance) P-C4' energy: -115.323
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: 8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -475.303727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.303727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.303727 (E_RNA)
where:
Base-Base interactions energy: -179.372
where: short stacking energy: -130.877
Base-Backbone interact. energy: -0.994
local terms energy: -294.937316
where:
bonds (distance) C4'-P energy: -100.589
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -74.908
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: 41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2140.948055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.948055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.948055 (E_RNA)
where:
Base-Base interactions energy: -1469.577
where: short stacking energy: -616.621
Base-Backbone interact. energy: -3.873
local terms energy: -667.498213
where:
bonds (distance) C4'-P energy: -129.808
bonds (distance) P-C4' energy: -125.726
flat angles C4'-P-C4' energy: -144.916
flat angles P-C4'-P energy: -96.403
tors. eta vs tors. theta energy: -170.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2066.976808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.976808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.976808 (E_RNA)
where:
Base-Base interactions energy: -1435.742
where: short stacking energy: -612.610
Base-Backbone interact. energy: -3.263
local terms energy: -627.972091
where:
bonds (distance) C4'-P energy: -126.105
bonds (distance) P-C4' energy: -113.302
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -90.415
tors. eta vs tors. theta energy: -171.217
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1953.711413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.711413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.711413 (E_RNA)
where:
Base-Base interactions energy: -1328.940
where: short stacking energy: -585.765
Base-Backbone interact. energy: 0.062
local terms energy: -624.833762
where:
bonds (distance) C4'-P energy: -117.932
bonds (distance) P-C4' energy: -111.668
flat angles C4'-P-C4' energy: -138.658
flat angles P-C4'-P energy: -87.512
tors. eta vs tors. theta energy: -169.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1886.606221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.606221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.606221 (E_RNA)
where:
Base-Base interactions energy: -1294.319
where: short stacking energy: -548.291
Base-Backbone interact. energy: -4.664
local terms energy: -587.622954
where:
bonds (distance) C4'-P energy: -115.113
bonds (distance) P-C4' energy: -122.371
flat angles C4'-P-C4' energy: -130.843
flat angles P-C4'-P energy: -74.996
tors. eta vs tors. theta energy: -144.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1782.357970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.357970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.357970 (E_RNA)
where:
Base-Base interactions energy: -1181.345
where: short stacking energy: -507.934
Base-Backbone interact. energy: -2.400
local terms energy: -598.612256
where:
bonds (distance) C4'-P energy: -109.236
bonds (distance) P-C4' energy: -115.082
flat angles C4'-P-C4' energy: -129.772
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -155.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1483.737251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.737251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.737251 (E_RNA)
where:
Base-Base interactions energy: -943.662
where: short stacking energy: -469.121
Base-Backbone interact. energy: 0.528
local terms energy: -540.603870
where:
bonds (distance) C4'-P energy: -104.978
bonds (distance) P-C4' energy: -118.900
flat angles C4'-P-C4' energy: -135.237
flat angles P-C4'-P energy: -67.885
tors. eta vs tors. theta energy: -113.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1290.196928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.196928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.196928 (E_RNA)
where:
Base-Base interactions energy: -825.143
where: short stacking energy: -361.988
Base-Backbone interact. energy: -3.209
local terms energy: -461.844312
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -111.763
flat angles C4'-P-C4' energy: -104.825
flat angles P-C4'-P energy: -78.341
tors. eta vs tors. theta energy: -72.005
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: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1044.361507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.361507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.361507 (E_RNA)
where:
Base-Base interactions energy: -624.547
where: short stacking energy: -307.495
Base-Backbone interact. energy: -0.071
local terms energy: -419.743820
where:
bonds (distance) C4'-P energy: -118.508
bonds (distance) P-C4' energy: -97.805
flat angles C4'-P-C4' energy: -103.492
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -51.544
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: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -779.524450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.524450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.524450 (E_RNA)
where:
Base-Base interactions energy: -399.688
where: short stacking energy: -209.130
Base-Backbone interact. energy: -4.064
local terms energy: -375.772528
where:
bonds (distance) C4'-P energy: -90.369
bonds (distance) P-C4' energy: -111.848
flat angles C4'-P-C4' energy: -93.826
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -502.331994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.331994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.331994 (E_RNA)
where:
Base-Base interactions energy: -194.847
where: short stacking energy: -151.304
Base-Backbone interact. energy: -1.688
local terms energy: -305.796333
where:
bonds (distance) C4'-P energy: -96.985
bonds (distance) P-C4' energy: -104.426
flat angles C4'-P-C4' energy: -73.901
flat angles P-C4'-P energy: -70.441
tors. eta vs tors. theta energy: 39.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2120.848480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.848480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.848480 (E_RNA)
where:
Base-Base interactions energy: -1472.830
where: short stacking energy: -617.917
Base-Backbone interact. energy: -3.018
local terms energy: -644.999653
where:
bonds (distance) C4'-P energy: -123.627
bonds (distance) P-C4' energy: -126.309
flat angles C4'-P-C4' energy: -137.868
flat angles P-C4'-P energy: -91.133
tors. eta vs tors. theta energy: -166.062
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: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2071.889412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.889412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.889412 (E_RNA)
where:
Base-Base interactions energy: -1404.897
where: short stacking energy: -571.635
Base-Backbone interact. energy: -7.708
local terms energy: -659.284725
where:
bonds (distance) C4'-P energy: -134.030
bonds (distance) P-C4' energy: -120.985
flat angles C4'-P-C4' energy: -136.687
flat angles P-C4'-P energy: -94.902
tors. eta vs tors. theta energy: -172.681
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: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1964.147020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.147020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.147020 (E_RNA)
where:
Base-Base interactions energy: -1307.259
where: short stacking energy: -575.493
Base-Backbone interact. energy: -1.442
local terms energy: -655.445874
where:
bonds (distance) C4'-P energy: -118.423
bonds (distance) P-C4' energy: -124.909
flat angles C4'-P-C4' energy: -143.329
flat angles P-C4'-P energy: -96.952
tors. eta vs tors. theta energy: -171.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1880.823094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.823094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.823094 (E_RNA)
where:
Base-Base interactions energy: -1295.070
where: short stacking energy: -522.992
Base-Backbone interact. energy: 1.367
local terms energy: -587.119710
where:
bonds (distance) C4'-P energy: -111.937
bonds (distance) P-C4' energy: -112.034
flat angles C4'-P-C4' energy: -134.969
flat angles P-C4'-P energy: -83.944
tors. eta vs tors. theta energy: -144.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1717.856724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.856724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.856724 (E_RNA)
where:
Base-Base interactions energy: -1135.498
where: short stacking energy: -521.196
Base-Backbone interact. energy: -0.203
local terms energy: -582.155442
where:
bonds (distance) C4'-P energy: -111.095
bonds (distance) P-C4' energy: -114.724
flat angles C4'-P-C4' energy: -134.774
flat angles P-C4'-P energy: -83.006
tors. eta vs tors. theta energy: -138.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1470.699617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.699617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.699617 (E_RNA)
where:
Base-Base interactions energy: -928.635
where: short stacking energy: -479.153
Base-Backbone interact. energy: -3.330
local terms energy: -538.734132
where:
bonds (distance) C4'-P energy: -104.412
bonds (distance) P-C4' energy: -109.048
flat angles C4'-P-C4' energy: -111.168
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1273.901700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.901700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.901700 (E_RNA)
where:
Base-Base interactions energy: -831.737
where: short stacking energy: -366.915
Base-Backbone interact. energy: 1.472
local terms energy: -443.636787
where:
bonds (distance) C4'-P energy: -108.857
bonds (distance) P-C4' energy: -107.224
flat angles C4'-P-C4' energy: -119.540
flat angles P-C4'-P energy: -56.640
tors. eta vs tors. theta energy: -51.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -946.652704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.652704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.652704 (E_RNA)
where:
Base-Base interactions energy: -567.489
where: short stacking energy: -265.139
Base-Backbone interact. energy: 7.613
local terms energy: -386.776874
where:
bonds (distance) C4'-P energy: -97.544
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -100.686
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -30.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -729.713265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.713265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.713265 (E_RNA)
where:
Base-Base interactions energy: -363.376
where: short stacking energy: -193.073
Base-Backbone interact. energy: -1.568
local terms energy: -364.768876
where:
bonds (distance) C4'-P energy: -101.072
bonds (distance) P-C4' energy: -109.933
flat angles C4'-P-C4' energy: -92.038
flat angles P-C4'-P energy: -60.892
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -499.187349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.187349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.187349 (E_RNA)
where:
Base-Base interactions energy: -182.212
where: short stacking energy: -169.925
Base-Backbone interact. energy: 8.861
local terms energy: -325.836744
where:
bonds (distance) C4'-P energy: -92.266
bonds (distance) P-C4' energy: -102.915
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -46.710
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: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2126.623694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.623694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.623694 (E_RNA)
where:
Base-Base interactions energy: -1470.851
where: short stacking energy: -606.011
Base-Backbone interact. energy: 0.310
local terms energy: -656.082385
where:
bonds (distance) C4'-P energy: -131.650
bonds (distance) P-C4' energy: -133.387
flat angles C4'-P-C4' energy: -146.470
flat angles P-C4'-P energy: -84.971
tors. eta vs tors. theta energy: -159.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2036.138843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.138843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.138843 (E_RNA)
where:
Base-Base interactions energy: -1415.302
where: short stacking energy: -596.815
Base-Backbone interact. energy: -6.438
local terms energy: -614.398118
where:
bonds (distance) C4'-P energy: -117.316
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -146.495
flat angles P-C4'-P energy: -78.328
tors. eta vs tors. theta energy: -164.513
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1873.490067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.490067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.490067 (E_RNA)
where:
Base-Base interactions energy: -1257.770
where: short stacking energy: -570.329
Base-Backbone interact. energy: 3.021
local terms energy: -618.740987
where:
bonds (distance) C4'-P energy: -113.823
bonds (distance) P-C4' energy: -136.912
flat angles C4'-P-C4' energy: -125.509
flat angles P-C4'-P energy: -82.107
tors. eta vs tors. theta energy: -160.390
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1863.914505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.914505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.914505 (E_RNA)
where:
Base-Base interactions energy: -1259.310
where: short stacking energy: -549.284
Base-Backbone interact. energy: -2.781
local terms energy: -601.824249
where:
bonds (distance) C4'-P energy: -117.287
bonds (distance) P-C4' energy: -122.382
flat angles C4'-P-C4' energy: -128.976
flat angles P-C4'-P energy: -80.327
tors. eta vs tors. theta energy: -152.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1728.683364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.683364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.683364 (E_RNA)
where:
Base-Base interactions energy: -1160.365
where: short stacking energy: -498.137
Base-Backbone interact. energy: -2.384
local terms energy: -565.934050
where:
bonds (distance) C4'-P energy: -127.686
bonds (distance) P-C4' energy: -95.417
flat angles C4'-P-C4' energy: -129.592
flat angles P-C4'-P energy: -80.862
tors. eta vs tors. theta energy: -132.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1459.898167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.898167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.898167 (E_RNA)
where:
Base-Base interactions energy: -933.764
where: short stacking energy: -458.285
Base-Backbone interact. energy: -2.565
local terms energy: -523.568908
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -93.103
flat angles C4'-P-C4' energy: -116.517
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -124.296
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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1274.686936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.686936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.686936 (E_RNA)
where:
Base-Base interactions energy: -837.549
where: short stacking energy: -356.496
Base-Backbone interact. energy: -1.938
local terms energy: -435.200316
where:
bonds (distance) C4'-P energy: -103.403
bonds (distance) P-C4' energy: -99.628
flat angles C4'-P-C4' energy: -100.529
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -69.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -893.615794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.615794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.615794 (E_RNA)
where:
Base-Base interactions energy: -502.676
where: short stacking energy: -253.631
Base-Backbone interact. energy: -2.700
local terms energy: -388.239543
where:
bonds (distance) C4'-P energy: -97.614
bonds (distance) P-C4' energy: -115.573
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -59.025
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -754.855971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.855971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.855971 (E_RNA)
where:
Base-Base interactions energy: -388.344
where: short stacking energy: -203.085
Base-Backbone interact. energy: -1.196
local terms energy: -365.316363
where:
bonds (distance) C4'-P energy: -99.027
bonds (distance) P-C4' energy: -112.871
flat angles C4'-P-C4' energy: -96.952
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -495.984636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.984636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.984636 (E_RNA)
where:
Base-Base interactions energy: -196.476
where: short stacking energy: -147.983
Base-Backbone interact. energy: -4.292
local terms energy: -295.216511
where:
bonds (distance) C4'-P energy: -85.837
bonds (distance) P-C4' energy: -103.031
flat angles C4'-P-C4' energy: -74.790
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: 15.338
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: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2087.955947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.955947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.955947 (E_RNA)
where:
Base-Base interactions energy: -1429.313
where: short stacking energy: -606.515
Base-Backbone interact. energy: -0.988
local terms energy: -657.655464
where:
bonds (distance) C4'-P energy: -129.725
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -140.128
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -161.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2012.624232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.624232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.624232 (E_RNA)
where:
Base-Base interactions energy: -1359.169
where: short stacking energy: -569.022
Base-Backbone interact. energy: -1.817
local terms energy: -651.638711
where:
bonds (distance) C4'-P energy: -128.398
bonds (distance) P-C4' energy: -120.432
flat angles C4'-P-C4' energy: -141.779
flat angles P-C4'-P energy: -91.939
tors. eta vs tors. theta energy: -169.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1912.356283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.356283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.356283 (E_RNA)
where:
Base-Base interactions energy: -1293.739
where: short stacking energy: -573.835
Base-Backbone interact. energy: -1.125
local terms energy: -617.492384
where:
bonds (distance) C4'-P energy: -115.364
bonds (distance) P-C4' energy: -113.269
flat angles C4'-P-C4' energy: -129.751
flat angles P-C4'-P energy: -93.439
tors. eta vs tors. theta energy: -165.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1841.421623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.421623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.421623 (E_RNA)
where:
Base-Base interactions energy: -1252.045
where: short stacking energy: -515.506
Base-Backbone interact. energy: -4.020
local terms energy: -585.356378
where:
bonds (distance) C4'-P energy: -120.336
bonds (distance) P-C4' energy: -116.200
flat angles C4'-P-C4' energy: -129.228
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -138.501
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: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1753.847092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.847092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.847092 (E_RNA)
where:
Base-Base interactions energy: -1218.234
where: short stacking energy: -508.824
Base-Backbone interact. energy: -0.003
local terms energy: -535.609785
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -114.049
flat angles C4'-P-C4' energy: -128.923
flat angles P-C4'-P energy: -81.365
tors. eta vs tors. theta energy: -122.146
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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1412.949548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.949548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.949548 (E_RNA)
where:
Base-Base interactions energy: -899.737
where: short stacking energy: -424.873
Base-Backbone interact. energy: -0.431
local terms energy: -512.780988
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -97.810
flat angles C4'-P-C4' energy: -115.550
flat angles P-C4'-P energy: -78.060
tors. eta vs tors. theta energy: -109.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1334.589970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.589970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.589970 (E_RNA)
where:
Base-Base interactions energy: -842.567
where: short stacking energy: -390.722
Base-Backbone interact. energy: -1.728
local terms energy: -490.295185
where:
bonds (distance) C4'-P energy: -98.310
bonds (distance) P-C4' energy: -125.075
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -60.727
tors. eta vs tors. theta energy: -95.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -918.913972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.913972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.913972 (E_RNA)
where:
Base-Base interactions energy: -535.556
where: short stacking energy: -274.633
Base-Backbone interact. energy: 0.337
local terms energy: -383.694675
where:
bonds (distance) C4'-P energy: -103.197
bonds (distance) P-C4' energy: -86.671
flat angles C4'-P-C4' energy: -109.044
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -31.775
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -739.319988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.319988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.319988 (E_RNA)
where:
Base-Base interactions energy: -384.962
where: short stacking energy: -227.395
Base-Backbone interact. energy: 1.224
local terms energy: -355.581959
where:
bonds (distance) C4'-P energy: -96.775
bonds (distance) P-C4' energy: -98.230
flat angles C4'-P-C4' energy: -94.947
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -485.337874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.337874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.337874 (E_RNA)
where:
Base-Base interactions energy: -182.775
where: short stacking energy: -157.914
Base-Backbone interact. energy: 3.459
local terms energy: -306.021261
where:
bonds (distance) C4'-P energy: -87.729
bonds (distance) P-C4' energy: -118.782
flat angles C4'-P-C4' energy: -77.070
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: 23.676
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: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2101.940875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.940875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.940875 (E_RNA)
where:
Base-Base interactions energy: -1461.575
where: short stacking energy: -618.610
Base-Backbone interact. energy: -5.185
local terms energy: -635.180639
where:
bonds (distance) C4'-P energy: -120.292
bonds (distance) P-C4' energy: -121.096
flat angles C4'-P-C4' energy: -133.692
flat angles P-C4'-P energy: -88.625
tors. eta vs tors. theta energy: -171.476
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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2066.707020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.707020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.707020 (E_RNA)
where:
Base-Base interactions energy: -1437.063
where: short stacking energy: -592.131
Base-Backbone interact. energy: -3.426
local terms energy: -626.217575
where:
bonds (distance) C4'-P energy: -121.662
bonds (distance) P-C4' energy: -112.399
flat angles C4'-P-C4' energy: -135.287
flat angles P-C4'-P energy: -90.075
tors. eta vs tors. theta energy: -166.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1922.148793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.148793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.148793 (E_RNA)
where:
Base-Base interactions energy: -1274.439
where: short stacking energy: -559.188
Base-Backbone interact. energy: -2.428
local terms energy: -645.281804
where:
bonds (distance) C4'-P energy: -123.249
bonds (distance) P-C4' energy: -125.781
flat angles C4'-P-C4' energy: -138.622
flat angles P-C4'-P energy: -93.798
tors. eta vs tors. theta energy: -163.832
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1870.098731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.098731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.098731 (E_RNA)
where:
Base-Base interactions energy: -1266.185
where: short stacking energy: -552.928
Base-Backbone interact. energy: -4.259
local terms energy: -599.654717
where:
bonds (distance) C4'-P energy: -119.032
bonds (distance) P-C4' energy: -103.433
flat angles C4'-P-C4' energy: -127.948
flat angles P-C4'-P energy: -93.124
tors. eta vs tors. theta energy: -156.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1751.231745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.231745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.231745 (E_RNA)
where:
Base-Base interactions energy: -1201.227
where: short stacking energy: -524.395
Base-Backbone interact. energy: -1.606
local terms energy: -548.399195
where:
bonds (distance) C4'-P energy: -110.943
bonds (distance) P-C4' energy: -101.945
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -73.984
tors. eta vs tors. theta energy: -136.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1436.451312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.451312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.451312 (E_RNA)
where:
Base-Base interactions energy: -905.772
where: short stacking energy: -458.692
Base-Backbone interact. energy: -5.662
local terms energy: -525.016583
where:
bonds (distance) C4'-P energy: -93.947
bonds (distance) P-C4' energy: -113.561
flat angles C4'-P-C4' energy: -115.099
flat angles P-C4'-P energy: -81.108
tors. eta vs tors. theta energy: -121.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1339.175758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.175758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.175758 (E_RNA)
where:
Base-Base interactions energy: -867.652
where: short stacking energy: -378.151
Base-Backbone interact. energy: -1.922
local terms energy: -469.601421
where:
bonds (distance) C4'-P energy: -101.792
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -107.359
flat angles P-C4'-P energy: -80.720
tors. eta vs tors. theta energy: -78.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -923.596658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.596658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.596658 (E_RNA)
where:
Base-Base interactions energy: -508.934
where: short stacking energy: -286.114
Base-Backbone interact. energy: 0.197
local terms energy: -414.859210
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -97.257
flat angles C4'-P-C4' energy: -92.997
flat angles P-C4'-P energy: -63.546
tors. eta vs tors. theta energy: -52.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -848.452953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.452953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.452953 (E_RNA)
where:
Base-Base interactions energy: -478.750
where: short stacking energy: -247.703
Base-Backbone interact. energy: 0.573
local terms energy: -370.275580
where:
bonds (distance) C4'-P energy: -115.089
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -86.401
flat angles P-C4'-P energy: -49.746
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -474.886476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.886476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.886476 (E_RNA)
where:
Base-Base interactions energy: -167.323
where: short stacking energy: -128.520
Base-Backbone interact. energy: -0.029
local terms energy: -307.534361
where:
bonds (distance) C4'-P energy: -109.706
bonds (distance) P-C4' energy: -104.499
flat angles C4'-P-C4' energy: -87.555
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: 27.080
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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2118.908361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.908361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.908361 (E_RNA)
where:
Base-Base interactions energy: -1468.330
where: short stacking energy: -614.479
Base-Backbone interact. energy: -1.594
local terms energy: -648.985132
where:
bonds (distance) C4'-P energy: -121.069
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -136.306
flat angles P-C4'-P energy: -86.023
tors. eta vs tors. theta energy: -175.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2067.743186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.743186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.743186 (E_RNA)
where:
Base-Base interactions energy: -1403.394
where: short stacking energy: -582.050
Base-Backbone interact. energy: -4.459
local terms energy: -659.890070
where:
bonds (distance) C4'-P energy: -120.609
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -147.163
flat angles P-C4'-P energy: -93.728
tors. eta vs tors. theta energy: -172.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1958.203069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.203069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.203069 (E_RNA)
where:
Base-Base interactions energy: -1313.235
where: short stacking energy: -600.851
Base-Backbone interact. energy: 5.402
local terms energy: -650.369865
where:
bonds (distance) C4'-P energy: -121.371
bonds (distance) P-C4' energy: -115.289
flat angles C4'-P-C4' energy: -141.572
flat angles P-C4'-P energy: -94.278
tors. eta vs tors. theta energy: -177.860
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1892.029734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.029734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.029734 (E_RNA)
where:
Base-Base interactions energy: -1301.717
where: short stacking energy: -529.760
Base-Backbone interact. energy: -6.160
local terms energy: -584.152712
where:
bonds (distance) C4'-P energy: -124.102
bonds (distance) P-C4' energy: -116.793
flat angles C4'-P-C4' energy: -109.339
flat angles P-C4'-P energy: -95.411
tors. eta vs tors. theta energy: -138.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1760.953103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.953103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.953103 (E_RNA)
where:
Base-Base interactions energy: -1188.241
where: short stacking energy: -494.505
Base-Backbone interact. energy: -2.752
local terms energy: -569.959857
where:
bonds (distance) C4'-P energy: -106.556
bonds (distance) P-C4' energy: -119.734
flat angles C4'-P-C4' energy: -137.472
flat angles P-C4'-P energy: -67.937
tors. eta vs tors. theta energy: -138.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1418.479746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.479746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.479746 (E_RNA)
where:
Base-Base interactions energy: -882.937
where: short stacking energy: -434.538
Base-Backbone interact. energy: -0.713
local terms energy: -534.829967
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -106.482
flat angles C4'-P-C4' energy: -129.926
flat angles P-C4'-P energy: -90.237
tors. eta vs tors. theta energy: -99.982
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: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1356.326447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.326447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.326447 (E_RNA)
where:
Base-Base interactions energy: -878.227
where: short stacking energy: -392.679
Base-Backbone interact. energy: 0.889
local terms energy: -478.988572
where:
bonds (distance) C4'-P energy: -96.064
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -105.386
flat angles P-C4'-P energy: -71.258
tors. eta vs tors. theta energy: -91.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -979.699815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.699815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.699815 (E_RNA)
where:
Base-Base interactions energy: -560.712
where: short stacking energy: -282.519
Base-Backbone interact. energy: -1.817
local terms energy: -417.170530
where:
bonds (distance) C4'-P energy: -100.278
bonds (distance) P-C4' energy: -106.339
flat angles C4'-P-C4' energy: -96.294
flat angles P-C4'-P energy: -66.487
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -801.823518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.823518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.823518 (E_RNA)
where:
Base-Base interactions energy: -458.190
where: short stacking energy: -205.807
Base-Backbone interact. energy: 0.808
local terms energy: -344.442101
where:
bonds (distance) C4'-P energy: -88.549
bonds (distance) P-C4' energy: -84.961
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -461.017610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.017610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.017610 (E_RNA)
where:
Base-Base interactions energy: -175.903
where: short stacking energy: -145.783
Base-Backbone interact. energy: -0.044
local terms energy: -285.070428
where:
bonds (distance) C4'-P energy: -96.844
bonds (distance) P-C4' energy: -106.713
flat angles C4'-P-C4' energy: -65.526
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: 19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2114.606253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.606253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.606253 (E_RNA)
where:
Base-Base interactions energy: -1443.686
where: short stacking energy: -621.778
Base-Backbone interact. energy: 0.007
local terms energy: -670.927190
where:
bonds (distance) C4'-P energy: -118.568
bonds (distance) P-C4' energy: -127.954
flat angles C4'-P-C4' energy: -139.317
flat angles P-C4'-P energy: -109.050
tors. eta vs tors. theta energy: -176.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2069.955431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.955431 (E_RNA)
where:
Base-Base interactions energy: -1428.006
where: short stacking energy: -598.042
Base-Backbone interact. energy: 0.268
local terms energy: -642.217471
where:
bonds (distance) C4'-P energy: -128.954
bonds (distance) P-C4' energy: -121.289
flat angles C4'-P-C4' energy: -137.124
flat angles P-C4'-P energy: -82.005
tors. eta vs tors. theta energy: -172.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1970.889504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.889504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.889504 (E_RNA)
where:
Base-Base interactions energy: -1327.567
where: short stacking energy: -605.881
Base-Backbone interact. energy: -2.722
local terms energy: -640.600860
where:
bonds (distance) C4'-P energy: -117.620
bonds (distance) P-C4' energy: -119.189
flat angles C4'-P-C4' energy: -131.893
flat angles P-C4'-P energy: -90.811
tors. eta vs tors. theta energy: -181.087
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: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1860.986671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.986671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.986671 (E_RNA)
where:
Base-Base interactions energy: -1303.799
where: short stacking energy: -547.624
Base-Backbone interact. energy: -1.978
local terms energy: -555.209478
where:
bonds (distance) C4'-P energy: -103.435
bonds (distance) P-C4' energy: -111.653
flat angles C4'-P-C4' energy: -122.886
flat angles P-C4'-P energy: -77.743
tors. eta vs tors. theta energy: -139.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1776.661615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.661615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.661615 (E_RNA)
where:
Base-Base interactions energy: -1222.910
where: short stacking energy: -558.074
Base-Backbone interact. energy: -0.151
local terms energy: -553.600237
where:
bonds (distance) C4'-P energy: -105.488
bonds (distance) P-C4' energy: -110.801
flat angles C4'-P-C4' energy: -118.568
flat angles P-C4'-P energy: -76.150
tors. eta vs tors. theta energy: -142.593
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: 235
Temperature: 1.150000
Total energy: -1376.408300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.408300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.408300 (E_RNA)
where:
Base-Base interactions energy: -834.419
where: short stacking energy: -394.587
Base-Backbone interact. energy: 0.416
local terms energy: -542.405508
where:
bonds (distance) C4'-P energy: -113.071
bonds (distance) P-C4' energy: -130.581
flat angles C4'-P-C4' energy: -132.884
flat angles P-C4'-P energy: -77.277
tors. eta vs tors. theta energy: -88.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1292.056880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.056880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.056880 (E_RNA)
where:
Base-Base interactions energy: -811.515
where: short stacking energy: -362.165
Base-Backbone interact. energy: -0.247
local terms energy: -480.295374
where:
bonds (distance) C4'-P energy: -96.631
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -112.783
flat angles P-C4'-P energy: -76.071
tors. eta vs tors. theta energy: -78.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -981.278448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.278448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.278448 (E_RNA)
where:
Base-Base interactions energy: -561.451
where: short stacking energy: -304.308
Base-Backbone interact. energy: -2.493
local terms energy: -417.333963
where:
bonds (distance) C4'-P energy: -92.106
bonds (distance) P-C4' energy: -111.119
flat angles C4'-P-C4' energy: -109.524
flat angles P-C4'-P energy: -64.708
tors. eta vs tors. theta energy: -39.877
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: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -794.235828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.235828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.235828 (E_RNA)
where:
Base-Base interactions energy: -413.381
where: short stacking energy: -234.453
Base-Backbone interact. energy: -2.888
local terms energy: -377.966650
where:
bonds (distance) C4'-P energy: -77.167
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -107.748
flat angles P-C4'-P energy: -53.167
tors. eta vs tors. theta energy: -24.762
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: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -504.940081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.940081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.940081 (E_RNA)
where:
Base-Base interactions energy: -177.187
where: short stacking energy: -144.924
Base-Backbone interact. energy: 0.279
local terms energy: -328.031674
where:
bonds (distance) C4'-P energy: -77.231
bonds (distance) P-C4' energy: -116.028
flat angles C4'-P-C4' energy: -82.525
flat angles P-C4'-P energy: -69.146
tors. eta vs tors. theta energy: 16.898
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: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2134.525934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.525934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.525934 (E_RNA)
where:
Base-Base interactions energy: -1467.278
where: short stacking energy: -633.638
Base-Backbone interact. energy: -2.189
local terms energy: -665.058793
where:
bonds (distance) C4'-P energy: -124.772
bonds (distance) P-C4' energy: -128.496
flat angles C4'-P-C4' energy: -135.045
flat angles P-C4'-P energy: -102.987
tors. eta vs tors. theta energy: -173.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2086.104501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.104501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.104501 (E_RNA)
where:
Base-Base interactions energy: -1415.066
where: short stacking energy: -580.320
Base-Backbone interact. energy: -4.751
local terms energy: -666.287498
where:
bonds (distance) C4'-P energy: -131.750
bonds (distance) P-C4' energy: -133.557
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -91.048
tors. eta vs tors. theta energy: -178.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1970.298956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.298956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.298956 (E_RNA)
where:
Base-Base interactions energy: -1322.314
where: short stacking energy: -615.352
Base-Backbone interact. energy: 1.968
local terms energy: -649.953405
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -116.590
flat angles C4'-P-C4' energy: -135.797
flat angles P-C4'-P energy: -100.350
tors. eta vs tors. theta energy: -185.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1850.676125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.676125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.676125 (E_RNA)
where:
Base-Base interactions energy: -1289.151
where: short stacking energy: -539.834
Base-Backbone interact. energy: -4.688
local terms energy: -556.837372
where:
bonds (distance) C4'-P energy: -115.593
bonds (distance) P-C4' energy: -104.798
flat angles C4'-P-C4' energy: -110.686
flat angles P-C4'-P energy: -80.781
tors. eta vs tors. theta energy: -144.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1706.980622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.980622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.980622 (E_RNA)
where:
Base-Base interactions energy: -1188.954
where: short stacking energy: -490.655
Base-Backbone interact. energy: 1.908
local terms energy: -519.934818
where:
bonds (distance) C4'-P energy: -92.421
bonds (distance) P-C4' energy: -101.960
flat angles C4'-P-C4' energy: -127.299
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -124.315
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: 236
Temperature: 1.150000
Total energy: -1319.132022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.132022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.132022 (E_RNA)
where:
Base-Base interactions energy: -792.696
where: short stacking energy: -392.327
Base-Backbone interact. energy: -1.677
local terms energy: -524.759257
where:
bonds (distance) C4'-P energy: -119.870
bonds (distance) P-C4' energy: -121.593
flat angles C4'-P-C4' energy: -111.775
flat angles P-C4'-P energy: -75.176
tors. eta vs tors. theta energy: -96.345
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: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1322.649554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.649554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.649554 (E_RNA)
where:
Base-Base interactions energy: -826.440
where: short stacking energy: -369.888
Base-Backbone interact. energy: -3.433
local terms energy: -492.777027
where:
bonds (distance) C4'-P energy: -95.416
bonds (distance) P-C4' energy: -118.563
flat angles C4'-P-C4' energy: -112.197
flat angles P-C4'-P energy: -65.596
tors. eta vs tors. theta energy: -101.005
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1005.370357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.370357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.370357 (E_RNA)
where:
Base-Base interactions energy: -598.567
where: short stacking energy: -299.224
Base-Backbone interact. energy: 2.001
local terms energy: -408.803783
where:
bonds (distance) C4'-P energy: -107.643
bonds (distance) P-C4' energy: -107.575
flat angles C4'-P-C4' energy: -88.636
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -52.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -709.547912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.547912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.547912 (E_RNA)
where:
Base-Base interactions energy: -359.699
where: short stacking energy: -190.093
Base-Backbone interact. energy: -1.426
local terms energy: -348.422903
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -111.174
flat angles C4'-P-C4' energy: -87.065
flat angles P-C4'-P energy: -52.076
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: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -493.981496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.981496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.981496 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -122.357
Base-Backbone interact. energy: -1.987
local terms energy: -345.175865
where:
bonds (distance) C4'-P energy: -117.624
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -74.543
flat angles P-C4'-P energy: -69.240
tors. eta vs tors. theta energy: 34.413
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: 237
Temperature: 0.900000
Total energy: -2127.822661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.822661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.822661 (E_RNA)
where:
Base-Base interactions energy: -1460.686
where: short stacking energy: -631.090
Base-Backbone interact. energy: -0.187
local terms energy: -666.950324
where:
bonds (distance) C4'-P energy: -137.000
bonds (distance) P-C4' energy: -128.478
flat angles C4'-P-C4' energy: -140.084
flat angles P-C4'-P energy: -83.494
tors. eta vs tors. theta energy: -177.894
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: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2054.136094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.136094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.136094 (E_RNA)
where:
Base-Base interactions energy: -1398.272
where: short stacking energy: -576.213
Base-Backbone interact. energy: -4.151
local terms energy: -651.713161
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -129.987
flat angles C4'-P-C4' energy: -137.623
flat angles P-C4'-P energy: -97.798
tors. eta vs tors. theta energy: -162.526
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1973.841078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.841078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.841078 (E_RNA)
where:
Base-Base interactions energy: -1345.690
where: short stacking energy: -581.835
Base-Backbone interact. energy: 0.048
local terms energy: -628.198860
where:
bonds (distance) C4'-P energy: -104.224
bonds (distance) P-C4' energy: -123.918
flat angles C4'-P-C4' energy: -140.043
flat angles P-C4'-P energy: -93.128
tors. eta vs tors. theta energy: -166.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1853.702859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.702859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.702859 (E_RNA)
where:
Base-Base interactions energy: -1275.819
where: short stacking energy: -546.510
Base-Backbone interact. energy: -2.797
local terms energy: -575.086822
where:
bonds (distance) C4'-P energy: -118.208
bonds (distance) P-C4' energy: -123.250
flat angles C4'-P-C4' energy: -130.590
flat angles P-C4'-P energy: -63.332
tors. eta vs tors. theta energy: -139.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1696.991978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.991978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.991978 (E_RNA)
where:
Base-Base interactions energy: -1155.772
where: short stacking energy: -495.863
Base-Backbone interact. energy: 2.750
local terms energy: -543.970447
where:
bonds (distance) C4'-P energy: -125.813
bonds (distance) P-C4' energy: -94.213
flat angles C4'-P-C4' energy: -125.385
flat angles P-C4'-P energy: -70.362
tors. eta vs tors. theta energy: -128.198
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: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1471.520517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.520517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.520517 (E_RNA)
where:
Base-Base interactions energy: -954.228
where: short stacking energy: -445.389
Base-Backbone interact. energy: -2.532
local terms energy: -514.760380
where:
bonds (distance) C4'-P energy: -113.817
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -124.407
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -105.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1216.461856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.461856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.461856 (E_RNA)
where:
Base-Base interactions energy: -739.628
where: short stacking energy: -355.464
Base-Backbone interact. energy: 1.520
local terms energy: -478.353896
where:
bonds (distance) C4'-P energy: -108.981
bonds (distance) P-C4' energy: -118.111
flat angles C4'-P-C4' energy: -111.748
flat angles P-C4'-P energy: -79.884
tors. eta vs tors. theta energy: -59.631
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1027.297148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.297148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.297148 (E_RNA)
where:
Base-Base interactions energy: -622.924
where: short stacking energy: -292.130
Base-Backbone interact. energy: -3.198
local terms energy: -401.175921
where:
bonds (distance) C4'-P energy: -91.895
bonds (distance) P-C4' energy: -109.481
flat angles C4'-P-C4' energy: -112.635
flat angles P-C4'-P energy: -53.107
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: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -700.811453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.811453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.811453 (E_RNA)
where:
Base-Base interactions energy: -333.317
where: short stacking energy: -182.929
Base-Backbone interact. energy: -4.155
local terms energy: -363.339548
where:
bonds (distance) C4'-P energy: -94.737
bonds (distance) P-C4' energy: -106.764
flat angles C4'-P-C4' energy: -95.422
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -488.281870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.281870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.281870 (E_RNA)
where:
Base-Base interactions energy: -156.983
where: short stacking energy: -120.788
Base-Backbone interact. energy: 1.183
local terms energy: -332.481056
where:
bonds (distance) C4'-P energy: -110.828
bonds (distance) P-C4' energy: -97.914
flat angles C4'-P-C4' energy: -100.299
flat angles P-C4'-P energy: -43.892
tors. eta vs tors. theta energy: 20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2095.136459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.136459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.136459 (E_RNA)
where:
Base-Base interactions energy: -1458.028
where: short stacking energy: -627.440
Base-Backbone interact. energy: -3.493
local terms energy: -633.615302
where:
bonds (distance) C4'-P energy: -132.013
bonds (distance) P-C4' energy: -117.330
flat angles C4'-P-C4' energy: -138.344
flat angles P-C4'-P energy: -85.878
tors. eta vs tors. theta energy: -160.050
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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2076.648433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.648433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.648433 (E_RNA)
where:
Base-Base interactions energy: -1427.169
where: short stacking energy: -606.739
Base-Backbone interact. energy: -2.672
local terms energy: -646.807451
where:
bonds (distance) C4'-P energy: -118.003
bonds (distance) P-C4' energy: -122.147
flat angles C4'-P-C4' energy: -137.362
flat angles P-C4'-P energy: -96.185
tors. eta vs tors. theta energy: -173.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2027.000217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.000217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.000217 (E_RNA)
where:
Base-Base interactions energy: -1390.820
where: short stacking energy: -603.292
Base-Backbone interact. energy: -3.306
local terms energy: -632.874927
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -117.514
flat angles C4'-P-C4' energy: -133.044
flat angles P-C4'-P energy: -85.480
tors. eta vs tors. theta energy: -181.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1852.211576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.211576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.211576 (E_RNA)
where:
Base-Base interactions energy: -1248.732
where: short stacking energy: -544.997
Base-Backbone interact. energy: 0.238
local terms energy: -603.717568
where:
bonds (distance) C4'-P energy: -119.989
bonds (distance) P-C4' energy: -121.936
flat angles C4'-P-C4' energy: -133.549
flat angles P-C4'-P energy: -78.947
tors. eta vs tors. theta energy: -149.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1704.089902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.089902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.089902 (E_RNA)
where:
Base-Base interactions energy: -1151.085
where: short stacking energy: -470.362
Base-Backbone interact. energy: -2.031
local terms energy: -550.973321
where:
bonds (distance) C4'-P energy: -117.613
bonds (distance) P-C4' energy: -110.359
flat angles C4'-P-C4' energy: -113.137
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -122.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1441.758704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.758704 (E_RNA)
where:
Base-Base interactions energy: -945.658
where: short stacking energy: -419.413
Base-Backbone interact. energy: -2.388
local terms energy: -493.712126
where:
bonds (distance) C4'-P energy: -96.357
bonds (distance) P-C4' energy: -98.120
flat angles C4'-P-C4' energy: -118.438
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -115.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1249.212364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.212364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.212364 (E_RNA)
where:
Base-Base interactions energy: -778.782
where: short stacking energy: -370.535
Base-Backbone interact. energy: -1.975
local terms energy: -468.455216
where:
bonds (distance) C4'-P energy: -98.495
bonds (distance) P-C4' energy: -126.517
flat angles C4'-P-C4' energy: -103.131
flat angles P-C4'-P energy: -65.812
tors. eta vs tors. theta energy: -74.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1033.112119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.112119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.112119 (E_RNA)
where:
Base-Base interactions energy: -611.103
where: short stacking energy: -299.378
Base-Backbone interact. energy: -1.058
local terms energy: -420.950884
where:
bonds (distance) C4'-P energy: -94.310
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -96.180
flat angles P-C4'-P energy: -66.242
tors. eta vs tors. theta energy: -50.763
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: 238
Temperature: 1.300000
Total energy: -743.046937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.046937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.046937 (E_RNA)
where:
Base-Base interactions energy: -361.099
where: short stacking energy: -215.817
Base-Backbone interact. energy: 3.628
local terms energy: -385.576297
where:
bonds (distance) C4'-P energy: -107.806
bonds (distance) P-C4' energy: -109.419
flat angles C4'-P-C4' energy: -88.465
flat angles P-C4'-P energy: -67.273
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -539.956513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.956513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.956513 (E_RNA)
where:
Base-Base interactions energy: -221.836
where: short stacking energy: -158.078
Base-Backbone interact. energy: -3.245
local terms energy: -314.875080
where:
bonds (distance) C4'-P energy: -88.294
bonds (distance) P-C4' energy: -101.137
flat angles C4'-P-C4' energy: -97.408
flat angles P-C4'-P energy: -47.711
tors. eta vs tors. theta energy: 19.676
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: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2122.069988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.069988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.069988 (E_RNA)
where:
Base-Base interactions energy: -1466.743
where: short stacking energy: -632.831
Base-Backbone interact. energy: -1.850
local terms energy: -653.477479
where:
bonds (distance) C4'-P energy: -118.801
bonds (distance) P-C4' energy: -123.280
flat angles C4'-P-C4' energy: -147.500
flat angles P-C4'-P energy: -95.749
tors. eta vs tors. theta energy: -168.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2068.388827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.388827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.388827 (E_RNA)
where:
Base-Base interactions energy: -1406.988
where: short stacking energy: -590.294
Base-Backbone interact. energy: -3.656
local terms energy: -657.744541
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -126.519
flat angles C4'-P-C4' energy: -133.967
flat angles P-C4'-P energy: -90.464
tors. eta vs tors. theta energy: -176.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2010.571444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.571444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.571444 (E_RNA)
where:
Base-Base interactions energy: -1380.639
where: short stacking energy: -597.143
Base-Backbone interact. energy: -3.034
local terms energy: -626.898034
where:
bonds (distance) C4'-P energy: -120.489
bonds (distance) P-C4' energy: -117.009
flat angles C4'-P-C4' energy: -132.232
flat angles P-C4'-P energy: -78.672
tors. eta vs tors. theta energy: -178.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1793.122272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.122272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.122272 (E_RNA)
where:
Base-Base interactions energy: -1205.634
where: short stacking energy: -515.427
Base-Backbone interact. energy: -0.977
local terms energy: -586.511038
where:
bonds (distance) C4'-P energy: -114.468
bonds (distance) P-C4' energy: -118.583
flat angles C4'-P-C4' energy: -137.366
flat angles P-C4'-P energy: -63.806
tors. eta vs tors. theta energy: -152.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1704.357168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.357168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.357168 (E_RNA)
where:
Base-Base interactions energy: -1157.809
where: short stacking energy: -493.750
Base-Backbone interact. energy: -2.042
local terms energy: -544.506214
where:
bonds (distance) C4'-P energy: -92.702
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -128.457
flat angles P-C4'-P energy: -78.961
tors. eta vs tors. theta energy: -130.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1473.270252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.270252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.270252 (E_RNA)
where:
Base-Base interactions energy: -962.258
where: short stacking energy: -455.325
Base-Backbone interact. energy: 1.782
local terms energy: -512.794193
where:
bonds (distance) C4'-P energy: -107.453
bonds (distance) P-C4' energy: -100.841
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -59.792
tors. eta vs tors. theta energy: -118.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1255.772815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.772815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.772815 (E_RNA)
where:
Base-Base interactions energy: -801.058
where: short stacking energy: -370.555
Base-Backbone interact. energy: -0.305
local terms energy: -454.409493
where:
bonds (distance) C4'-P energy: -98.227
bonds (distance) P-C4' energy: -94.712
flat angles C4'-P-C4' energy: -112.163
flat angles P-C4'-P energy: -65.137
tors. eta vs tors. theta energy: -84.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1035.043859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.043859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.043859 (E_RNA)
where:
Base-Base interactions energy: -618.707
where: short stacking energy: -272.905
Base-Backbone interact. energy: -3.235
local terms energy: -413.102033
where:
bonds (distance) C4'-P energy: -109.300
bonds (distance) P-C4' energy: -114.020
flat angles C4'-P-C4' energy: -85.160
flat angles P-C4'-P energy: -59.396
tors. eta vs tors. theta energy: -45.226
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: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -671.498256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.498256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.498256 (E_RNA)
where:
Base-Base interactions energy: -352.153
where: short stacking energy: -196.667
Base-Backbone interact. energy: -0.190
local terms energy: -319.155334
where:
bonds (distance) C4'-P energy: -102.269
bonds (distance) P-C4' energy: -106.357
flat angles C4'-P-C4' energy: -78.853
flat angles P-C4'-P energy: -48.195
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: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -543.723045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.723045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.723045 (E_RNA)
where:
Base-Base interactions energy: -240.896
where: short stacking energy: -166.535
Base-Backbone interact. energy: 2.613
local terms energy: -305.439213
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -97.657
flat angles C4'-P-C4' energy: -95.346
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: 12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2125.567015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.567015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.567015 (E_RNA)
where:
Base-Base interactions energy: -1460.733
where: short stacking energy: -613.031
Base-Backbone interact. energy: -4.034
local terms energy: -660.800873
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -123.444
flat angles C4'-P-C4' energy: -148.345
flat angles P-C4'-P energy: -89.534
tors. eta vs tors. theta energy: -173.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2059.309455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.309455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.309455 (E_RNA)
where:
Base-Base interactions energy: -1406.492
where: short stacking energy: -603.428
Base-Backbone interact. energy: -2.869
local terms energy: -649.949115
where:
bonds (distance) C4'-P energy: -112.883
bonds (distance) P-C4' energy: -128.287
flat angles C4'-P-C4' energy: -142.410
flat angles P-C4'-P energy: -98.093
tors. eta vs tors. theta energy: -168.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2024.337187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.337187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.337187 (E_RNA)
where:
Base-Base interactions energy: -1373.084
where: short stacking energy: -604.134
Base-Backbone interact. energy: 3.549
local terms energy: -654.802324
where:
bonds (distance) C4'-P energy: -108.771
bonds (distance) P-C4' energy: -122.904
flat angles C4'-P-C4' energy: -138.996
flat angles P-C4'-P energy: -98.695
tors. eta vs tors. theta energy: -185.436
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: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1876.022234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.022234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.022234 (E_RNA)
where:
Base-Base interactions energy: -1281.253
where: short stacking energy: -572.957
Base-Backbone interact. energy: -3.731
local terms energy: -591.038334
where:
bonds (distance) C4'-P energy: -110.021
bonds (distance) P-C4' energy: -120.111
flat angles C4'-P-C4' energy: -127.589
flat angles P-C4'-P energy: -79.300
tors. eta vs tors. theta energy: -154.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1723.477483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.477483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.477483 (E_RNA)
where:
Base-Base interactions energy: -1181.691
where: short stacking energy: -516.181
Base-Backbone interact. energy: -3.899
local terms energy: -537.887692
where:
bonds (distance) C4'-P energy: -99.616
bonds (distance) P-C4' energy: -104.058
flat angles C4'-P-C4' energy: -123.222
flat angles P-C4'-P energy: -64.880
tors. eta vs tors. theta energy: -146.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1476.952981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.952981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.952981 (E_RNA)
where:
Base-Base interactions energy: -938.608
where: short stacking energy: -429.627
Base-Backbone interact. energy: 0.302
local terms energy: -538.646064
where:
bonds (distance) C4'-P energy: -117.873
bonds (distance) P-C4' energy: -110.360
flat angles C4'-P-C4' energy: -127.181
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -112.380
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: 240
Temperature: 1.200000
Total energy: -1279.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.186726 (E_RNA)
where:
Base-Base interactions energy: -819.470
where: short stacking energy: -409.692
Base-Backbone interact. energy: -4.090
local terms energy: -455.627189
where:
bonds (distance) C4'-P energy: -90.111
bonds (distance) P-C4' energy: -109.998
flat angles C4'-P-C4' energy: -100.200
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -76.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -993.203059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.203059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.203059 (E_RNA)
where:
Base-Base interactions energy: -581.552
where: short stacking energy: -272.865
Base-Backbone interact. energy: -4.205
local terms energy: -407.446111
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -109.048
flat angles C4'-P-C4' energy: -102.345
flat angles P-C4'-P energy: -57.580
tors. eta vs tors. theta energy: -32.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -649.384338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.384338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.384338 (E_RNA)
where:
Base-Base interactions energy: -316.036
where: short stacking energy: -192.797
Base-Backbone interact. energy: -2.160
local terms energy: -331.189093
where:
bonds (distance) C4'-P energy: -90.059
bonds (distance) P-C4' energy: -113.427
flat angles C4'-P-C4' energy: -88.078
flat angles P-C4'-P energy: -49.158
tors. eta vs tors. theta energy: 9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -580.320830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.320830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.320830 (E_RNA)
where:
Base-Base interactions energy: -233.063
where: short stacking energy: -162.233
Base-Backbone interact. energy: 0.437
local terms energy: -347.694644
where:
bonds (distance) C4'-P energy: -115.230
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -86.364
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: 9.587
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: 241
Temperature: 0.900000
Total energy: -2149.988925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.988925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.988925 (E_RNA)
where:
Base-Base interactions energy: -1473.337
where: short stacking energy: -629.387
Base-Backbone interact. energy: -0.510
local terms energy: -676.142792
where:
bonds (distance) C4'-P energy: -126.093
bonds (distance) P-C4' energy: -136.720
flat angles C4'-P-C4' energy: -153.291
flat angles P-C4'-P energy: -100.250
tors. eta vs tors. theta energy: -159.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2106.591851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.591851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.591851 (E_RNA)
where:
Base-Base interactions energy: -1427.278
where: short stacking energy: -608.688
Base-Backbone interact. energy: -6.748
local terms energy: -672.565882
where:
bonds (distance) C4'-P energy: -128.366
bonds (distance) P-C4' energy: -133.728
flat angles C4'-P-C4' energy: -139.569
flat angles P-C4'-P energy: -95.780
tors. eta vs tors. theta energy: -175.122
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: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2027.453703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.453703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.453703 (E_RNA)
where:
Base-Base interactions energy: -1385.293
where: short stacking energy: -607.285
Base-Backbone interact. energy: -2.053
local terms energy: -640.108034
where:
bonds (distance) C4'-P energy: -115.207
bonds (distance) P-C4' energy: -120.278
flat angles C4'-P-C4' energy: -138.097
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -185.167
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: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1820.560573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.560573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.560573 (E_RNA)
where:
Base-Base interactions energy: -1227.146
where: short stacking energy: -530.005
Base-Backbone interact. energy: 1.285
local terms energy: -594.698874
where:
bonds (distance) C4'-P energy: -114.104
bonds (distance) P-C4' energy: -118.954
flat angles C4'-P-C4' energy: -142.423
flat angles P-C4'-P energy: -71.148
tors. eta vs tors. theta energy: -148.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1699.670426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.670426 (E_RNA)
where:
Base-Base interactions energy: -1145.404
where: short stacking energy: -500.633
Base-Backbone interact. energy: -2.711
local terms energy: -551.554901
where:
bonds (distance) C4'-P energy: -118.635
bonds (distance) P-C4' energy: -105.414
flat angles C4'-P-C4' energy: -105.486
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -146.866
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: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1457.362188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.362188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.362188 (E_RNA)
where:
Base-Base interactions energy: -971.202
where: short stacking energy: -426.301
Base-Backbone interact. energy: -3.268
local terms energy: -482.892596
where:
bonds (distance) C4'-P energy: -106.873
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -105.970
flat angles P-C4'-P energy: -63.032
tors. eta vs tors. theta energy: -93.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1311.414795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.414795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.414795 (E_RNA)
where:
Base-Base interactions energy: -808.935
where: short stacking energy: -370.994
Base-Backbone interact. energy: -1.163
local terms energy: -501.316798
where:
bonds (distance) C4'-P energy: -111.994
bonds (distance) P-C4' energy: -107.890
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -100.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1065.177952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.177952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.177952 (E_RNA)
where:
Base-Base interactions energy: -627.332
where: short stacking energy: -330.006
Base-Backbone interact. energy: 1.602
local terms energy: -439.448224
where:
bonds (distance) C4'-P energy: -108.347
bonds (distance) P-C4' energy: -116.678
flat angles C4'-P-C4' energy: -98.875
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -51.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -670.879818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.879818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.879818 (E_RNA)
where:
Base-Base interactions energy: -324.777
where: short stacking energy: -230.926
Base-Backbone interact. energy: 3.706
local terms energy: -349.809598
where:
bonds (distance) C4'-P energy: -96.836
bonds (distance) P-C4' energy: -102.777
flat angles C4'-P-C4' energy: -92.833
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -514.503371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.503371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.503371 (E_RNA)
where:
Base-Base interactions energy: -186.809
where: short stacking energy: -156.976
Base-Backbone interact. energy: -1.973
local terms energy: -325.721505
where:
bonds (distance) C4'-P energy: -97.941
bonds (distance) P-C4' energy: -118.393
flat angles C4'-P-C4' energy: -81.463
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: 19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2108.314012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.314012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.314012 (E_RNA)
where:
Base-Base interactions energy: -1442.555
where: short stacking energy: -591.873
Base-Backbone interact. energy: -0.855
local terms energy: -664.903969
where:
bonds (distance) C4'-P energy: -133.297
bonds (distance) P-C4' energy: -123.982
flat angles C4'-P-C4' energy: -140.281
flat angles P-C4'-P energy: -108.478
tors. eta vs tors. theta energy: -158.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2058.157153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.157153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.157153 (E_RNA)
where:
Base-Base interactions energy: -1426.905
where: short stacking energy: -589.081
Base-Backbone interact. energy: -5.999
local terms energy: -625.252848
where:
bonds (distance) C4'-P energy: -114.005
bonds (distance) P-C4' energy: -121.106
flat angles C4'-P-C4' energy: -143.075
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -168.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2021.515469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.515469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.515469 (E_RNA)
where:
Base-Base interactions energy: -1365.965
where: short stacking energy: -597.827
Base-Backbone interact. energy: 3.158
local terms energy: -658.708743
where:
bonds (distance) C4'-P energy: -106.014
bonds (distance) P-C4' energy: -136.999
flat angles C4'-P-C4' energy: -134.493
flat angles P-C4'-P energy: -100.476
tors. eta vs tors. theta energy: -180.726
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: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1853.223740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.223740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.223740 (E_RNA)
where:
Base-Base interactions energy: -1267.475
where: short stacking energy: -533.836
Base-Backbone interact. energy: -0.111
local terms energy: -585.637716
where:
bonds (distance) C4'-P energy: -128.532
bonds (distance) P-C4' energy: -108.650
flat angles C4'-P-C4' energy: -131.830
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: -141.644
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: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1696.506735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.506735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.506735 (E_RNA)
where:
Base-Base interactions energy: -1109.364
where: short stacking energy: -499.603
Base-Backbone interact. energy: 2.583
local terms energy: -589.725436
where:
bonds (distance) C4'-P energy: -129.298
bonds (distance) P-C4' energy: -117.705
flat angles C4'-P-C4' energy: -124.968
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -132.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1459.890066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.890066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.890066 (E_RNA)
where:
Base-Base interactions energy: -953.726
where: short stacking energy: -451.709
Base-Backbone interact. energy: -3.353
local terms energy: -502.810504
where:
bonds (distance) C4'-P energy: -82.246
bonds (distance) P-C4' energy: -122.357
flat angles C4'-P-C4' energy: -128.354
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -112.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1239.715555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.715555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.715555 (E_RNA)
where:
Base-Base interactions energy: -748.411
where: short stacking energy: -346.308
Base-Backbone interact. energy: -1.457
local terms energy: -489.848094
where:
bonds (distance) C4'-P energy: -91.258
bonds (distance) P-C4' energy: -119.799
flat angles C4'-P-C4' energy: -120.164
flat angles P-C4'-P energy: -71.811
tors. eta vs tors. theta energy: -86.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1046.042180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.042180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.042180 (E_RNA)
where:
Base-Base interactions energy: -625.562
where: short stacking energy: -309.727
Base-Backbone interact. energy: 0.463
local terms energy: -420.943511
where:
bonds (distance) C4'-P energy: -105.490
bonds (distance) P-C4' energy: -113.653
flat angles C4'-P-C4' energy: -93.294
flat angles P-C4'-P energy: -59.761
tors. eta vs tors. theta energy: -48.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -617.133537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.133537 (E_RNA)
where:
Base-Base interactions energy: -235.459
where: short stacking energy: -166.383
Base-Backbone interact. energy: -1.657
local terms energy: -380.017265
where:
bonds (distance) C4'-P energy: -106.821
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -106.361
flat angles P-C4'-P energy: -55.281
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -491.784984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.784984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.784984 (E_RNA)
where:
Base-Base interactions energy: -179.762
where: short stacking energy: -150.915
Base-Backbone interact. energy: -1.697
local terms energy: -310.325730
where:
bonds (distance) C4'-P energy: -81.854
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -75.514
flat angles P-C4'-P energy: -64.051
tors. eta vs tors. theta energy: 19.703
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: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2144.627258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.627258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.627258 (E_RNA)
where:
Base-Base interactions energy: -1503.354
where: short stacking energy: -625.090
Base-Backbone interact. energy: -4.428
local terms energy: -636.845656
where:
bonds (distance) C4'-P energy: -117.449
bonds (distance) P-C4' energy: -119.581
flat angles C4'-P-C4' energy: -143.487
flat angles P-C4'-P energy: -90.480
tors. eta vs tors. theta energy: -165.849
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2090.986172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.986172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.986172 (E_RNA)
where:
Base-Base interactions energy: -1404.863
where: short stacking energy: -626.039
Base-Backbone interact. energy: -0.414
local terms energy: -685.709104
where:
bonds (distance) C4'-P energy: -126.406
bonds (distance) P-C4' energy: -126.335
flat angles C4'-P-C4' energy: -138.586
flat angles P-C4'-P energy: -94.219
tors. eta vs tors. theta energy: -200.163
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: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2015.024852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.024852 (E_RNA)
where:
Base-Base interactions energy: -1377.233
where: short stacking energy: -591.766
Base-Backbone interact. energy: -1.509
local terms energy: -636.283574
where:
bonds (distance) C4'-P energy: -118.032
bonds (distance) P-C4' energy: -129.673
flat angles C4'-P-C4' energy: -131.945
flat angles P-C4'-P energy: -81.145
tors. eta vs tors. theta energy: -175.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1850.832678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.832678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.832678 (E_RNA)
where:
Base-Base interactions energy: -1246.463
where: short stacking energy: -544.872
Base-Backbone interact. energy: -3.561
local terms energy: -600.809546
where:
bonds (distance) C4'-P energy: -125.283
bonds (distance) P-C4' energy: -120.632
flat angles C4'-P-C4' energy: -141.658
flat angles P-C4'-P energy: -63.175
tors. eta vs tors. theta energy: -150.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1657.508552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.508552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.508552 (E_RNA)
where:
Base-Base interactions energy: -1082.616
where: short stacking energy: -504.565
Base-Backbone interact. energy: -1.529
local terms energy: -573.363722
where:
bonds (distance) C4'-P energy: -117.411
bonds (distance) P-C4' energy: -105.310
flat angles C4'-P-C4' energy: -134.982
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -135.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1475.918436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.918436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.918436 (E_RNA)
where:
Base-Base interactions energy: -936.926
where: short stacking energy: -426.988
Base-Backbone interact. energy: 0.120
local terms energy: -539.112070
where:
bonds (distance) C4'-P energy: -107.914
bonds (distance) P-C4' energy: -118.033
flat angles C4'-P-C4' energy: -123.356
flat angles P-C4'-P energy: -81.251
tors. eta vs tors. theta energy: -108.558
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: 243
Temperature: 1.200000
Total energy: -1304.739455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.739455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.739455 (E_RNA)
where:
Base-Base interactions energy: -817.962
where: short stacking energy: -388.104
Base-Backbone interact. energy: -2.619
local terms energy: -484.158225
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -124.134
flat angles C4'-P-C4' energy: -120.138
flat angles P-C4'-P energy: -81.100
tors. eta vs tors. theta energy: -79.114
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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1093.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.327223 (E_RNA)
where:
Base-Base interactions energy: -637.719
where: short stacking energy: -302.665
Base-Backbone interact. energy: 0.315
local terms energy: -455.922600
where:
bonds (distance) C4'-P energy: -100.694
bonds (distance) P-C4' energy: -108.274
flat angles C4'-P-C4' energy: -108.611
flat angles P-C4'-P energy: -83.031
tors. eta vs tors. theta energy: -55.313
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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -634.460539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.460539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.460539 (E_RNA)
where:
Base-Base interactions energy: -315.024
where: short stacking energy: -215.016
Base-Backbone interact. energy: -0.988
local terms energy: -318.448056
where:
bonds (distance) C4'-P energy: -91.366
bonds (distance) P-C4' energy: -98.408
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -54.174
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -565.185288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.185288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.185288 (E_RNA)
where:
Base-Base interactions energy: -229.716
where: short stacking energy: -163.534
Base-Backbone interact. energy: 1.141
local terms energy: -336.610093
where:
bonds (distance) C4'-P energy: -95.011
bonds (distance) P-C4' energy: -102.809
flat angles C4'-P-C4' energy: -82.605
flat angles P-C4'-P energy: -63.028
tors. eta vs tors. theta energy: 6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2156.085806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.085806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.085806 (E_RNA)
where:
Base-Base interactions energy: -1491.010
where: short stacking energy: -628.338
Base-Backbone interact. energy: -4.395
local terms energy: -660.680974
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -122.031
flat angles C4'-P-C4' energy: -149.992
flat angles P-C4'-P energy: -90.597
tors. eta vs tors. theta energy: -178.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2070.012051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.012051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.012051 (E_RNA)
where:
Base-Base interactions energy: -1380.417
where: short stacking energy: -615.520
Base-Backbone interact. energy: -1.680
local terms energy: -687.915618
where:
bonds (distance) C4'-P energy: -134.905
bonds (distance) P-C4' energy: -126.989
flat angles C4'-P-C4' energy: -137.729
flat angles P-C4'-P energy: -95.225
tors. eta vs tors. theta energy: -193.068
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: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1997.318670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.318670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.318670 (E_RNA)
where:
Base-Base interactions energy: -1366.411
where: short stacking energy: -574.415
Base-Backbone interact. energy: -5.030
local terms energy: -625.877549
where:
bonds (distance) C4'-P energy: -121.305
bonds (distance) P-C4' energy: -125.548
flat angles C4'-P-C4' energy: -128.779
flat angles P-C4'-P energy: -75.227
tors. eta vs tors. theta energy: -175.020
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: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1834.638256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.638256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.638256 (E_RNA)
where:
Base-Base interactions energy: -1259.128
where: short stacking energy: -544.056
Base-Backbone interact. energy: -0.423
local terms energy: -575.087620
where:
bonds (distance) C4'-P energy: -99.740
bonds (distance) P-C4' energy: -115.985
flat angles C4'-P-C4' energy: -148.068
flat angles P-C4'-P energy: -64.437
tors. eta vs tors. theta energy: -146.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1673.701389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.701389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.701389 (E_RNA)
where:
Base-Base interactions energy: -1080.912
where: short stacking energy: -445.823
Base-Backbone interact. energy: -4.354
local terms energy: -588.434980
where:
bonds (distance) C4'-P energy: -129.234
bonds (distance) P-C4' energy: -121.937
flat angles C4'-P-C4' energy: -127.936
flat angles P-C4'-P energy: -87.672
tors. eta vs tors. theta energy: -121.655
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1496.860693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.860693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.860693 (E_RNA)
where:
Base-Base interactions energy: -980.665
where: short stacking energy: -470.837
Base-Backbone interact. energy: -1.532
local terms energy: -514.663128
where:
bonds (distance) C4'-P energy: -100.831
bonds (distance) P-C4' energy: -113.184
flat angles C4'-P-C4' energy: -126.893
flat angles P-C4'-P energy: -61.728
tors. eta vs tors. theta energy: -112.026
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1283.559068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.559068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.559068 (E_RNA)
where:
Base-Base interactions energy: -817.093
where: short stacking energy: -379.687
Base-Backbone interact. energy: -0.521
local terms energy: -465.945220
where:
bonds (distance) C4'-P energy: -96.584
bonds (distance) P-C4' energy: -116.440
flat angles C4'-P-C4' energy: -92.787
flat angles P-C4'-P energy: -85.945
tors. eta vs tors. theta energy: -74.190
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: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1116.550974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.550974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.550974 (E_RNA)
where:
Base-Base interactions energy: -685.958
where: short stacking energy: -310.714
Base-Backbone interact. energy: -3.345
local terms energy: -427.247822
where:
bonds (distance) C4'-P energy: -82.923
bonds (distance) P-C4' energy: -112.991
flat angles C4'-P-C4' energy: -121.432
flat angles P-C4'-P energy: -61.745
tors. eta vs tors. theta energy: -48.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -629.217072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.217072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.217072 (E_RNA)
where:
Base-Base interactions energy: -283.889
where: short stacking energy: -177.529
Base-Backbone interact. energy: -0.638
local terms energy: -344.690564
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -105.826
flat angles C4'-P-C4' energy: -83.435
flat angles P-C4'-P energy: -63.192
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: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -537.985714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.985714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.985714 (E_RNA)
where:
Base-Base interactions energy: -227.616
where: short stacking energy: -152.432
Base-Backbone interact. energy: 3.620
local terms energy: -313.989265
where:
bonds (distance) C4'-P energy: -99.210
bonds (distance) P-C4' energy: -114.193
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2145.458354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.458354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.458354 (E_RNA)
where:
Base-Base interactions energy: -1492.227
where: short stacking energy: -636.802
Base-Backbone interact. energy: -1.585
local terms energy: -651.646326
where:
bonds (distance) C4'-P energy: -124.016
bonds (distance) P-C4' energy: -132.197
flat angles C4'-P-C4' energy: -132.751
flat angles P-C4'-P energy: -96.110
tors. eta vs tors. theta energy: -166.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2082.994400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.994400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.994400 (E_RNA)
where:
Base-Base interactions energy: -1443.552
where: short stacking energy: -604.764
Base-Backbone interact. energy: -3.438
local terms energy: -636.004169
where:
bonds (distance) C4'-P energy: -102.366
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -133.380
flat angles P-C4'-P energy: -103.238
tors. eta vs tors. theta energy: -174.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2023.376124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.376124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.376124 (E_RNA)
where:
Base-Base interactions energy: -1385.128
where: short stacking energy: -598.053
Base-Backbone interact. energy: -2.711
local terms energy: -635.537256
where:
bonds (distance) C4'-P energy: -122.427
bonds (distance) P-C4' energy: -103.079
flat angles C4'-P-C4' energy: -143.827
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -187.900
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: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1841.803107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.803107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.803107 (E_RNA)
where:
Base-Base interactions energy: -1261.596
where: short stacking energy: -524.871
Base-Backbone interact. energy: -1.686
local terms energy: -578.521455
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -120.589
flat angles C4'-P-C4' energy: -138.609
flat angles P-C4'-P energy: -81.137
tors. eta vs tors. theta energy: -133.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1684.172458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.172458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.172458 (E_RNA)
where:
Base-Base interactions energy: -1155.981
where: short stacking energy: -515.320
Base-Backbone interact. energy: -0.644
local terms energy: -527.547816
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -100.335
flat angles C4'-P-C4' energy: -130.445
flat angles P-C4'-P energy: -72.027
tors. eta vs tors. theta energy: -128.471
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1452.965857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.965857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.965857 (E_RNA)
where:
Base-Base interactions energy: -926.276
where: short stacking energy: -434.568
Base-Backbone interact. energy: -2.600
local terms energy: -524.089123
where:
bonds (distance) C4'-P energy: -102.667
bonds (distance) P-C4' energy: -122.275
flat angles C4'-P-C4' energy: -119.298
flat angles P-C4'-P energy: -78.651
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1242.824390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.824390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.824390 (E_RNA)
where:
Base-Base interactions energy: -766.442
where: short stacking energy: -338.829
Base-Backbone interact. energy: -2.016
local terms energy: -474.365958
where:
bonds (distance) C4'-P energy: -107.633
bonds (distance) P-C4' energy: -118.286
flat angles C4'-P-C4' energy: -115.626
flat angles P-C4'-P energy: -79.099
tors. eta vs tors. theta energy: -53.723
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1118.665798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.665798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.665798 (E_RNA)
where:
Base-Base interactions energy: -670.432
where: short stacking energy: -321.503
Base-Backbone interact. energy: -0.705
local terms energy: -447.528529
where:
bonds (distance) C4'-P energy: -111.388
bonds (distance) P-C4' energy: -110.768
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -65.608
tors. eta vs tors. theta energy: -44.624
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -635.172331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.172331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.172331 (E_RNA)
where:
Base-Base interactions energy: -304.049
where: short stacking energy: -184.841
Base-Backbone interact. energy: -2.368
local terms energy: -328.755527
where:
bonds (distance) C4'-P energy: -82.105
bonds (distance) P-C4' energy: -110.713
flat angles C4'-P-C4' energy: -83.820
flat angles P-C4'-P energy: -66.881
tors. eta vs tors. theta energy: 14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -516.559394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.559394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.559394 (E_RNA)
where:
Base-Base interactions energy: -193.577
where: short stacking energy: -140.352
Base-Backbone interact. energy: -0.069
local terms energy: -322.913101
where:
bonds (distance) C4'-P energy: -88.695
bonds (distance) P-C4' energy: -110.012
flat angles C4'-P-C4' energy: -94.799
flat angles P-C4'-P energy: -58.470
tors. eta vs tors. theta energy: 29.064
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: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2154.377950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.377950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.377950 (E_RNA)
where:
Base-Base interactions energy: -1488.268
where: short stacking energy: -628.260
Base-Backbone interact. energy: -4.620
local terms energy: -661.489378
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -135.629
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -95.726
tors. eta vs tors. theta energy: -174.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2079.057440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.057440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.057440 (E_RNA)
where:
Base-Base interactions energy: -1423.278
where: short stacking energy: -611.266
Base-Backbone interact. energy: -5.478
local terms energy: -650.301215
where:
bonds (distance) C4'-P energy: -119.004
bonds (distance) P-C4' energy: -125.533
flat angles C4'-P-C4' energy: -143.283
flat angles P-C4'-P energy: -88.430
tors. eta vs tors. theta energy: -174.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2037.594459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.594459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.594459 (E_RNA)
where:
Base-Base interactions energy: -1384.572
where: short stacking energy: -604.338
Base-Backbone interact. energy: -2.164
local terms energy: -650.858796
where:
bonds (distance) C4'-P energy: -109.976
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -143.255
flat angles P-C4'-P energy: -94.966
tors. eta vs tors. theta energy: -183.900
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: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1910.595834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.595834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.595834 (E_RNA)
where:
Base-Base interactions energy: -1317.622
where: short stacking energy: -556.221
Base-Backbone interact. energy: -1.683
local terms energy: -591.291171
where:
bonds (distance) C4'-P energy: -119.908
bonds (distance) P-C4' energy: -105.716
flat angles C4'-P-C4' energy: -141.435
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -147.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1697.003286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.003286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.003286 (E_RNA)
where:
Base-Base interactions energy: -1124.007
where: short stacking energy: -502.119
Base-Backbone interact. energy: -4.721
local terms energy: -568.275328
where:
bonds (distance) C4'-P energy: -109.172
bonds (distance) P-C4' energy: -114.618
flat angles C4'-P-C4' energy: -137.267
flat angles P-C4'-P energy: -79.324
tors. eta vs tors. theta energy: -127.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1451.661986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.661986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.661986 (E_RNA)
where:
Base-Base interactions energy: -920.377
where: short stacking energy: -449.067
Base-Backbone interact. energy: -2.265
local terms energy: -529.020226
where:
bonds (distance) C4'-P energy: -118.681
bonds (distance) P-C4' energy: -101.464
flat angles C4'-P-C4' energy: -117.543
flat angles P-C4'-P energy: -87.935
tors. eta vs tors. theta energy: -103.397
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1224.975415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.975415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.975415 (E_RNA)
where:
Base-Base interactions energy: -745.988
where: short stacking energy: -361.302
Base-Backbone interact. energy: -1.008
local terms energy: -477.979414
where:
bonds (distance) C4'-P energy: -107.803
bonds (distance) P-C4' energy: -107.784
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -76.691
tors. eta vs tors. theta energy: -72.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1095.950770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.950770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.950770 (E_RNA)
where:
Base-Base interactions energy: -649.144
where: short stacking energy: -325.769
Base-Backbone interact. energy: -3.235
local terms energy: -443.571690
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -96.194
flat angles C4'-P-C4' energy: -105.811
flat angles P-C4'-P energy: -74.228
tors. eta vs tors. theta energy: -64.348
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: 246
Temperature: 1.300000
Total energy: -597.140022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.140022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.140022 (E_RNA)
where:
Base-Base interactions energy: -272.954
where: short stacking energy: -156.205
Base-Backbone interact. energy: 3.961
local terms energy: -328.147324
where:
bonds (distance) C4'-P energy: -104.409
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -82.590
flat angles P-C4'-P energy: -67.126
tors. eta vs tors. theta energy: 24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -602.030041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.030041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.030041 (E_RNA)
where:
Base-Base interactions energy: -273.339
where: short stacking energy: -164.018
Base-Backbone interact. energy: -3.658
local terms energy: -325.033466
where:
bonds (distance) C4'-P energy: -98.137
bonds (distance) P-C4' energy: -122.752
flat angles C4'-P-C4' energy: -82.031
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: 28.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2129.915123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.915123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.915123 (E_RNA)
where:
Base-Base interactions energy: -1470.041
where: short stacking energy: -649.356
Base-Backbone interact. energy: -4.294
local terms energy: -655.579915
where:
bonds (distance) C4'-P energy: -127.656
bonds (distance) P-C4' energy: -130.909
flat angles C4'-P-C4' energy: -142.710
flat angles P-C4'-P energy: -82.497
tors. eta vs tors. theta energy: -171.808
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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2080.981877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.981877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.981877 (E_RNA)
where:
Base-Base interactions energy: -1423.006
where: short stacking energy: -620.092
Base-Backbone interact. energy: -1.216
local terms energy: -656.759296
where:
bonds (distance) C4'-P energy: -126.578
bonds (distance) P-C4' energy: -113.248
flat angles C4'-P-C4' energy: -140.128
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -196.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2034.238051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.238051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.238051 (E_RNA)
where:
Base-Base interactions energy: -1421.218
where: short stacking energy: -580.005
Base-Backbone interact. energy: -2.052
local terms energy: -610.967654
where:
bonds (distance) C4'-P energy: -105.874
bonds (distance) P-C4' energy: -124.158
flat angles C4'-P-C4' energy: -136.785
flat angles P-C4'-P energy: -80.935
tors. eta vs tors. theta energy: -163.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1871.456868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.456868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.456868 (E_RNA)
where:
Base-Base interactions energy: -1283.432
where: short stacking energy: -527.131
Base-Backbone interact. energy: 0.715
local terms energy: -588.739856
where:
bonds (distance) C4'-P energy: -113.777
bonds (distance) P-C4' energy: -127.815
flat angles C4'-P-C4' energy: -118.861
flat angles P-C4'-P energy: -83.862
tors. eta vs tors. theta energy: -144.425
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: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1747.788871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.788871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.788871 (E_RNA)
where:
Base-Base interactions energy: -1169.646
where: short stacking energy: -529.625
Base-Backbone interact. energy: -2.235
local terms energy: -575.907834
where:
bonds (distance) C4'-P energy: -101.801
bonds (distance) P-C4' energy: -123.170
flat angles C4'-P-C4' energy: -124.806
flat angles P-C4'-P energy: -85.212
tors. eta vs tors. theta energy: -140.918
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: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1458.616679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.616679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.616679 (E_RNA)
where:
Base-Base interactions energy: -917.471
where: short stacking energy: -425.361
Base-Backbone interact. energy: -1.719
local terms energy: -539.427466
where:
bonds (distance) C4'-P energy: -122.076
bonds (distance) P-C4' energy: -115.232
flat angles C4'-P-C4' energy: -128.352
flat angles P-C4'-P energy: -70.660
tors. eta vs tors. theta energy: -103.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1234.389570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.389570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.389570 (E_RNA)
where:
Base-Base interactions energy: -760.076
where: short stacking energy: -379.717
Base-Backbone interact. energy: 0.056
local terms energy: -474.369724
where:
bonds (distance) C4'-P energy: -97.520
bonds (distance) P-C4' energy: -108.944
flat angles C4'-P-C4' energy: -103.355
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -77.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1051.559285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.559285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.559285 (E_RNA)
where:
Base-Base interactions energy: -615.490
where: short stacking energy: -295.743
Base-Backbone interact. energy: -1.926
local terms energy: -434.143059
where:
bonds (distance) C4'-P energy: -97.375
bonds (distance) P-C4' energy: -120.110
flat angles C4'-P-C4' energy: -114.554
flat angles P-C4'-P energy: -53.546
tors. eta vs tors. theta energy: -48.558
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -628.828052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.828052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.828052 (E_RNA)
where:
Base-Base interactions energy: -288.344
where: short stacking energy: -194.732
Base-Backbone interact. energy: 1.711
local terms energy: -342.195052
where:
bonds (distance) C4'-P energy: -102.777
bonds (distance) P-C4' energy: -111.050
flat angles C4'-P-C4' energy: -83.516
flat angles P-C4'-P energy: -46.134
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -654.772619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.772619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.772619 (E_RNA)
where:
Base-Base interactions energy: -272.291
where: short stacking energy: -170.903
Base-Backbone interact. energy: -2.328
local terms energy: -380.153339
where:
bonds (distance) C4'-P energy: -104.422
bonds (distance) P-C4' energy: -118.577
flat angles C4'-P-C4' energy: -97.328
flat angles P-C4'-P energy: -57.176
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2149.694507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.694507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.694507 (E_RNA)
where:
Base-Base interactions energy: -1479.227
where: short stacking energy: -643.716
Base-Backbone interact. energy: 0.188
local terms energy: -670.655912
where:
bonds (distance) C4'-P energy: -122.643
bonds (distance) P-C4' energy: -128.453
flat angles C4'-P-C4' energy: -145.946
flat angles P-C4'-P energy: -102.146
tors. eta vs tors. theta energy: -171.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2094.423392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.423392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.423392 (E_RNA)
where:
Base-Base interactions energy: -1412.518
where: short stacking energy: -614.834
Base-Backbone interact. energy: -3.828
local terms energy: -678.077013
where:
bonds (distance) C4'-P energy: -111.985
bonds (distance) P-C4' energy: -140.813
flat angles C4'-P-C4' energy: -145.419
flat angles P-C4'-P energy: -94.179
tors. eta vs tors. theta energy: -185.681
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2008.468823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.468823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.468823 (E_RNA)
where:
Base-Base interactions energy: -1370.732
where: short stacking energy: -590.129
Base-Backbone interact. energy: 0.513
local terms energy: -638.249361
where:
bonds (distance) C4'-P energy: -120.807
bonds (distance) P-C4' energy: -130.270
flat angles C4'-P-C4' energy: -137.253
flat angles P-C4'-P energy: -82.057
tors. eta vs tors. theta energy: -167.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1884.666474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.666474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.666474 (E_RNA)
where:
Base-Base interactions energy: -1307.824
where: short stacking energy: -543.873
Base-Backbone interact. energy: -2.495
local terms energy: -574.347605
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -120.664
flat angles C4'-P-C4' energy: -138.467
flat angles P-C4'-P energy: -77.906
tors. eta vs tors. theta energy: -137.987
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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1692.332938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.332938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.332938 (E_RNA)
where:
Base-Base interactions energy: -1149.623
where: short stacking energy: -512.148
Base-Backbone interact. energy: -3.460
local terms energy: -539.250147
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -110.233
flat angles C4'-P-C4' energy: -128.035
flat angles P-C4'-P energy: -82.570
tors. eta vs tors. theta energy: -129.528
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: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1481.662906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.662906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.662906 (E_RNA)
where:
Base-Base interactions energy: -975.496
where: short stacking energy: -440.414
Base-Backbone interact. energy: -3.709
local terms energy: -502.458618
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -96.048
flat angles C4'-P-C4' energy: -118.081
flat angles P-C4'-P energy: -69.110
tors. eta vs tors. theta energy: -112.549
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: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1224.295708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.295708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.295708 (E_RNA)
where:
Base-Base interactions energy: -738.676
where: short stacking energy: -344.369
Base-Backbone interact. energy: -0.233
local terms energy: -485.385786
where:
bonds (distance) C4'-P energy: -108.198
bonds (distance) P-C4' energy: -120.629
flat angles C4'-P-C4' energy: -116.701
flat angles P-C4'-P energy: -85.483
tors. eta vs tors. theta energy: -54.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1020.854891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.854891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.854891 (E_RNA)
where:
Base-Base interactions energy: -603.209
where: short stacking energy: -283.857
Base-Backbone interact. energy: -1.537
local terms energy: -416.109278
where:
bonds (distance) C4'-P energy: -106.575
bonds (distance) P-C4' energy: -100.191
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -74.388
tors. eta vs tors. theta energy: -37.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -644.381736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.381736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.381736 (E_RNA)
where:
Base-Base interactions energy: -278.771
where: short stacking energy: -201.231
Base-Backbone interact. energy: -3.204
local terms energy: -362.407124
where:
bonds (distance) C4'-P energy: -111.659
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -556.335158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.335158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.335158 (E_RNA)
where:
Base-Base interactions energy: -251.545
where: short stacking energy: -179.707
Base-Backbone interact. energy: 2.141
local terms energy: -306.931022
where:
bonds (distance) C4'-P energy: -77.204
bonds (distance) P-C4' energy: -98.661
flat angles C4'-P-C4' energy: -92.524
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: 8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2132.569920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.569920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.569920 (E_RNA)
where:
Base-Base interactions energy: -1442.321
where: short stacking energy: -616.734
Base-Backbone interact. energy: -1.644
local terms energy: -688.605037
where:
bonds (distance) C4'-P energy: -121.387
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -154.117
flat angles P-C4'-P energy: -96.511
tors. eta vs tors. theta energy: -172.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2052.307085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.307085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.307085 (E_RNA)
where:
Base-Base interactions energy: -1384.154
where: short stacking energy: -604.364
Base-Backbone interact. energy: 0.757
local terms energy: -668.910069
where:
bonds (distance) C4'-P energy: -126.464
bonds (distance) P-C4' energy: -118.917
flat angles C4'-P-C4' energy: -145.042
flat angles P-C4'-P energy: -96.935
tors. eta vs tors. theta energy: -181.553
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2004.569736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.569736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.569736 (E_RNA)
where:
Base-Base interactions energy: -1361.721
where: short stacking energy: -579.531
Base-Backbone interact. energy: -4.250
local terms energy: -638.598622
where:
bonds (distance) C4'-P energy: -128.379
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -125.551
flat angles P-C4'-P energy: -87.313
tors. eta vs tors. theta energy: -170.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1862.381418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.381418 (E_RNA)
where:
Base-Base interactions energy: -1264.340
where: short stacking energy: -538.866
Base-Backbone interact. energy: -4.372
local terms energy: -593.669447
where:
bonds (distance) C4'-P energy: -122.094
bonds (distance) P-C4' energy: -116.549
flat angles C4'-P-C4' energy: -127.874
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -150.434
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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1696.395484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.395484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.395484 (E_RNA)
where:
Base-Base interactions energy: -1120.205
where: short stacking energy: -526.963
Base-Backbone interact. energy: -0.483
local terms energy: -575.708406
where:
bonds (distance) C4'-P energy: -108.210
bonds (distance) P-C4' energy: -119.914
flat angles C4'-P-C4' energy: -122.645
flat angles P-C4'-P energy: -88.433
tors. eta vs tors. theta energy: -136.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1456.788891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.788891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.788891 (E_RNA)
where:
Base-Base interactions energy: -965.641
where: short stacking energy: -459.180
Base-Backbone interact. energy: 2.057
local terms energy: -493.204770
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -108.764
flat angles C4'-P-C4' energy: -114.346
flat angles P-C4'-P energy: -63.807
tors. eta vs tors. theta energy: -120.065
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: 249
Temperature: 1.200000
Total energy: -1241.774034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.774034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.774034 (E_RNA)
where:
Base-Base interactions energy: -750.548
where: short stacking energy: -343.035
Base-Backbone interact. energy: -0.406
local terms energy: -490.819804
where:
bonds (distance) C4'-P energy: -115.584
bonds (distance) P-C4' energy: -122.470
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -74.878
tors. eta vs tors. theta energy: -73.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1062.084208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.084208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.084208 (E_RNA)
where:
Base-Base interactions energy: -640.539
where: short stacking energy: -312.945
Base-Backbone interact. energy: 0.209
local terms energy: -421.754381
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -110.305
flat angles C4'-P-C4' energy: -105.873
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -58.337
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: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -615.182690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.182690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.182690 (E_RNA)
where:
Base-Base interactions energy: -282.409
where: short stacking energy: -164.650
Base-Backbone interact. energy: -1.370
local terms energy: -331.403653
where:
bonds (distance) C4'-P energy: -81.612
bonds (distance) P-C4' energy: -90.837
flat angles C4'-P-C4' energy: -105.443
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: 20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -568.442501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.442501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.442501 (E_RNA)
where:
Base-Base interactions energy: -235.779
where: short stacking energy: -165.572
Base-Backbone interact. energy: 5.954
local terms energy: -338.617555
where:
bonds (distance) C4'-P energy: -87.715
bonds (distance) P-C4' energy: -101.359
flat angles C4'-P-C4' energy: -99.875
flat angles P-C4'-P energy: -60.887
tors. eta vs tors. theta energy: 11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2108.974859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.974859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.974859 (E_RNA)
where:
Base-Base interactions energy: -1472.276
where: short stacking energy: -640.272
Base-Backbone interact. energy: -3.148
local terms energy: -633.550949
where:
bonds (distance) C4'-P energy: -108.545
bonds (distance) P-C4' energy: -125.250
flat angles C4'-P-C4' energy: -133.907
flat angles P-C4'-P energy: -96.677
tors. eta vs tors. theta energy: -169.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2045.206343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.206343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.206343 (E_RNA)
where:
Base-Base interactions energy: -1395.343
where: short stacking energy: -602.763
Base-Backbone interact. energy: -5.044
local terms energy: -644.819295
where:
bonds (distance) C4'-P energy: -125.765
bonds (distance) P-C4' energy: -113.479
flat angles C4'-P-C4' energy: -139.754
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -179.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2022.630703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.630703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.630703 (E_RNA)
where:
Base-Base interactions energy: -1395.012
where: short stacking energy: -581.444
Base-Backbone interact. energy: -2.927
local terms energy: -624.691176
where:
bonds (distance) C4'-P energy: -117.090
bonds (distance) P-C4' energy: -117.410
flat angles C4'-P-C4' energy: -132.298
flat angles P-C4'-P energy: -87.410
tors. eta vs tors. theta energy: -170.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1926.849898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.849898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.849898 (E_RNA)
where:
Base-Base interactions energy: -1303.857
where: short stacking energy: -549.648
Base-Backbone interact. energy: -0.029
local terms energy: -622.963731
where:
bonds (distance) C4'-P energy: -113.005
bonds (distance) P-C4' energy: -124.010
flat angles C4'-P-C4' energy: -137.949
flat angles P-C4'-P energy: -85.080
tors. eta vs tors. theta energy: -162.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1723.079425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.079425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.079425 (E_RNA)
where:
Base-Base interactions energy: -1173.804
where: short stacking energy: -521.328
Base-Backbone interact. energy: -3.049
local terms energy: -546.226894
where:
bonds (distance) C4'-P energy: -115.816
bonds (distance) P-C4' energy: -111.430
flat angles C4'-P-C4' energy: -119.029
flat angles P-C4'-P energy: -66.895
tors. eta vs tors. theta energy: -133.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1431.945162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.945162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.945162 (E_RNA)
where:
Base-Base interactions energy: -927.581
where: short stacking energy: -415.496
Base-Backbone interact. energy: -4.819
local terms energy: -499.545303
where:
bonds (distance) C4'-P energy: -96.288
bonds (distance) P-C4' energy: -106.857
flat angles C4'-P-C4' energy: -126.397
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: -102.684
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: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1245.412502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.412502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.412502 (E_RNA)
where:
Base-Base interactions energy: -776.798
where: short stacking energy: -360.419
Base-Backbone interact. energy: -3.152
local terms energy: -465.463401
where:
bonds (distance) C4'-P energy: -92.199
bonds (distance) P-C4' energy: -101.012
flat angles C4'-P-C4' energy: -120.270
flat angles P-C4'-P energy: -74.006
tors. eta vs tors. theta energy: -77.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1066.825645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.825645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.825645 (E_RNA)
where:
Base-Base interactions energy: -647.160
where: short stacking energy: -333.829
Base-Backbone interact. energy: -0.011
local terms energy: -419.654787
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -112.327
flat angles C4'-P-C4' energy: -97.846
flat angles P-C4'-P energy: -54.936
tors. eta vs tors. theta energy: -65.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -585.884498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.884498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.884498 (E_RNA)
where:
Base-Base interactions energy: -242.061
where: short stacking energy: -177.052
Base-Backbone interact. energy: 6.683
local terms energy: -350.506586
where:
bonds (distance) C4'-P energy: -105.136
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -98.092
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: 9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -552.499893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.499893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.499893 (E_RNA)
where:
Base-Base interactions energy: -209.885
where: short stacking energy: -155.865
Base-Backbone interact. energy: 1.617
local terms energy: -344.232429
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -89.912
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2151.815996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.815996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.815996 (E_RNA)
where:
Base-Base interactions energy: -1497.804
where: short stacking energy: -656.307
Base-Backbone interact. energy: -2.198
local terms energy: -651.813767
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -122.086
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -90.379
tors. eta vs tors. theta energy: -174.500
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2064.993606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.993606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.993606 (E_RNA)
where:
Base-Base interactions energy: -1407.245
where: short stacking energy: -605.178
Base-Backbone interact. energy: -1.755
local terms energy: -655.994320
where:
bonds (distance) C4'-P energy: -119.068
bonds (distance) P-C4' energy: -123.060
flat angles C4'-P-C4' energy: -136.409
flat angles P-C4'-P energy: -95.036
tors. eta vs tors. theta energy: -182.422
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2016.973208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.973208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.973208 (E_RNA)
where:
Base-Base interactions energy: -1386.416
where: short stacking energy: -578.834
Base-Backbone interact. energy: -3.820
local terms energy: -626.737300
where:
bonds (distance) C4'-P energy: -116.446
bonds (distance) P-C4' energy: -118.639
flat angles C4'-P-C4' energy: -137.828
flat angles P-C4'-P energy: -83.776
tors. eta vs tors. theta energy: -170.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1859.127794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.127794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.127794 (E_RNA)
where:
Base-Base interactions energy: -1275.897
where: short stacking energy: -534.628
Base-Backbone interact. energy: -3.024
local terms energy: -580.207468
where:
bonds (distance) C4'-P energy: -113.392
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -118.075
flat angles P-C4'-P energy: -82.665
tors. eta vs tors. theta energy: -152.918
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1707.157644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.157644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.157644 (E_RNA)
where:
Base-Base interactions energy: -1151.558
where: short stacking energy: -508.014
Base-Backbone interact. energy: 0.448
local terms energy: -556.046802
where:
bonds (distance) C4'-P energy: -110.332
bonds (distance) P-C4' energy: -103.558
flat angles C4'-P-C4' energy: -123.979
flat angles P-C4'-P energy: -81.768
tors. eta vs tors. theta energy: -136.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1439.846918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.846918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.846918 (E_RNA)
where:
Base-Base interactions energy: -932.936
where: short stacking energy: -417.508
Base-Backbone interact. energy: 3.342
local terms energy: -510.253219
where:
bonds (distance) C4'-P energy: -120.302
bonds (distance) P-C4' energy: -102.000
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -73.606
tors. eta vs tors. theta energy: -95.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1249.486949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.486949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.486949 (E_RNA)
where:
Base-Base interactions energy: -771.310
where: short stacking energy: -370.282
Base-Backbone interact. energy: 0.337
local terms energy: -478.513666
where:
bonds (distance) C4'-P energy: -104.452
bonds (distance) P-C4' energy: -110.951
flat angles C4'-P-C4' energy: -101.777
flat angles P-C4'-P energy: -87.434
tors. eta vs tors. theta energy: -73.899
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: 251
Temperature: 1.250000
Total energy: -998.202915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.202915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.202915 (E_RNA)
where:
Base-Base interactions energy: -607.389
where: short stacking energy: -315.028
Base-Backbone interact. energy: -2.231
local terms energy: -388.582771
where:
bonds (distance) C4'-P energy: -94.943
bonds (distance) P-C4' energy: -101.311
flat angles C4'-P-C4' energy: -108.191
flat angles P-C4'-P energy: -52.488
tors. eta vs tors. theta energy: -31.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -611.166698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.166698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.166698 (E_RNA)
where:
Base-Base interactions energy: -270.812
where: short stacking energy: -201.310
Base-Backbone interact. energy: 1.838
local terms energy: -342.193203
where:
bonds (distance) C4'-P energy: -101.864
bonds (distance) P-C4' energy: -94.116
flat angles C4'-P-C4' energy: -94.336
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -550.717467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.717467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.717467 (E_RNA)
where:
Base-Base interactions energy: -205.890
where: short stacking energy: -140.093
Base-Backbone interact. energy: 0.504
local terms energy: -345.331413
where:
bonds (distance) C4'-P energy: -107.185
bonds (distance) P-C4' energy: -109.210
flat angles C4'-P-C4' energy: -88.557
flat angles P-C4'-P energy: -54.476
tors. eta vs tors. theta energy: 14.097
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: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2120.422403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.422403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.422403 (E_RNA)
where:
Base-Base interactions energy: -1451.230
where: short stacking energy: -626.481
Base-Backbone interact. energy: -2.773
local terms energy: -666.419291
where:
bonds (distance) C4'-P energy: -124.119
bonds (distance) P-C4' energy: -135.729
flat angles C4'-P-C4' energy: -134.108
flat angles P-C4'-P energy: -92.920
tors. eta vs tors. theta energy: -179.543
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: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2028.596639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.596639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.596639 (E_RNA)
where:
Base-Base interactions energy: -1378.181
where: short stacking energy: -587.894
Base-Backbone interact. energy: -0.938
local terms energy: -649.478300
where:
bonds (distance) C4'-P energy: -120.041
bonds (distance) P-C4' energy: -119.224
flat angles C4'-P-C4' energy: -144.181
flat angles P-C4'-P energy: -91.569
tors. eta vs tors. theta energy: -174.463
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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2013.390704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.390704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.390704 (E_RNA)
where:
Base-Base interactions energy: -1394.908
where: short stacking energy: -574.167
Base-Backbone interact. energy: 3.226
local terms energy: -621.709512
where:
bonds (distance) C4'-P energy: -105.653
bonds (distance) P-C4' energy: -133.572
flat angles C4'-P-C4' energy: -142.530
flat angles P-C4'-P energy: -78.151
tors. eta vs tors. theta energy: -161.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1879.402539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.402539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.402539 (E_RNA)
where:
Base-Base interactions energy: -1285.632
where: short stacking energy: -554.457
Base-Backbone interact. energy: -2.941
local terms energy: -590.829544
where:
bonds (distance) C4'-P energy: -117.008
bonds (distance) P-C4' energy: -121.581
flat angles C4'-P-C4' energy: -142.986
flat angles P-C4'-P energy: -70.336
tors. eta vs tors. theta energy: -138.918
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1690.304513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.304513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.304513 (E_RNA)
where:
Base-Base interactions energy: -1143.689
where: short stacking energy: -484.941
Base-Backbone interact. energy: -2.779
local terms energy: -543.836072
where:
bonds (distance) C4'-P energy: -88.079
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -125.345
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -130.472
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1496.482533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.482533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.482533 (E_RNA)
where:
Base-Base interactions energy: -977.669
where: short stacking energy: -416.357
Base-Backbone interact. energy: -0.923
local terms energy: -517.890407
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -108.729
flat angles C4'-P-C4' energy: -121.488
flat angles P-C4'-P energy: -83.769
tors. eta vs tors. theta energy: -97.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1229.195141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.195141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.195141 (E_RNA)
where:
Base-Base interactions energy: -764.571
where: short stacking energy: -376.897
Base-Backbone interact. energy: -2.228
local terms energy: -462.396062
where:
bonds (distance) C4'-P energy: -95.407
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -100.686
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -74.070
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: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1007.463431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.463431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.463431 (E_RNA)
where:
Base-Base interactions energy: -574.902
where: short stacking energy: -294.758
Base-Backbone interact. energy: -1.216
local terms energy: -431.345830
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -103.022
flat angles C4'-P-C4' energy: -94.919
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -37.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -635.137074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.137074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.137074 (E_RNA)
where:
Base-Base interactions energy: -266.832
where: short stacking energy: -184.660
Base-Backbone interact. energy: -0.336
local terms energy: -367.969131
where:
bonds (distance) C4'-P energy: -111.392
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -87.580
flat angles P-C4'-P energy: -62.317
tors. eta vs tors. theta energy: 6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -589.095865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.095865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.095865 (E_RNA)
where:
Base-Base interactions energy: -242.266
where: short stacking energy: -174.946
Base-Backbone interact. energy: 4.149
local terms energy: -350.979763
where:
bonds (distance) C4'-P energy: -97.946
bonds (distance) P-C4' energy: -98.087
flat angles C4'-P-C4' energy: -95.625
flat angles P-C4'-P energy: -54.090
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2117.481180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.481180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.481180 (E_RNA)
where:
Base-Base interactions energy: -1476.389
where: short stacking energy: -635.550
Base-Backbone interact. energy: 0.425
local terms energy: -641.517184
where:
bonds (distance) C4'-P energy: -117.998
bonds (distance) P-C4' energy: -137.421
flat angles C4'-P-C4' energy: -132.013
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -167.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2024.972638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.972638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.972638 (E_RNA)
where:
Base-Base interactions energy: -1365.907
where: short stacking energy: -611.290
Base-Backbone interact. energy: -2.362
local terms energy: -656.703642
where:
bonds (distance) C4'-P energy: -112.833
bonds (distance) P-C4' energy: -121.563
flat angles C4'-P-C4' energy: -141.680
flat angles P-C4'-P energy: -95.301
tors. eta vs tors. theta energy: -185.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2018.703004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.703004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.703004 (E_RNA)
where:
Base-Base interactions energy: -1374.927
where: short stacking energy: -562.994
Base-Backbone interact. energy: 1.316
local terms energy: -645.091773
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -130.753
flat angles C4'-P-C4' energy: -140.604
flat angles P-C4'-P energy: -83.490
tors. eta vs tors. theta energy: -159.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1877.716086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.716086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.716086 (E_RNA)
where:
Base-Base interactions energy: -1302.696
where: short stacking energy: -546.058
Base-Backbone interact. energy: -0.127
local terms energy: -574.893581
where:
bonds (distance) C4'-P energy: -116.656
bonds (distance) P-C4' energy: -114.942
flat angles C4'-P-C4' energy: -125.146
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -146.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1651.901554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.901554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.901554 (E_RNA)
where:
Base-Base interactions energy: -1120.770
where: short stacking energy: -477.819
Base-Backbone interact. energy: -1.255
local terms energy: -529.876915
where:
bonds (distance) C4'-P energy: -85.473
bonds (distance) P-C4' energy: -118.081
flat angles C4'-P-C4' energy: -119.005
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -143.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1521.479981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.479981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.479981 (E_RNA)
where:
Base-Base interactions energy: -972.029
where: short stacking energy: -450.153
Base-Backbone interact. energy: -0.665
local terms energy: -548.785910
where:
bonds (distance) C4'-P energy: -112.067
bonds (distance) P-C4' energy: -111.468
flat angles C4'-P-C4' energy: -133.143
flat angles P-C4'-P energy: -67.891
tors. eta vs tors. theta energy: -124.218
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1224.483549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.483549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.483549 (E_RNA)
where:
Base-Base interactions energy: -749.274
where: short stacking energy: -363.810
Base-Backbone interact. energy: -0.458
local terms energy: -474.751217
where:
bonds (distance) C4'-P energy: -99.707
bonds (distance) P-C4' energy: -133.071
flat angles C4'-P-C4' energy: -99.470
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -77.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -939.767563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.767563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.767563 (E_RNA)
where:
Base-Base interactions energy: -553.172
where: short stacking energy: -293.702
Base-Backbone interact. energy: 8.700
local terms energy: -395.296011
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -106.713
flat angles C4'-P-C4' energy: -84.292
flat angles P-C4'-P energy: -50.361
tors. eta vs tors. theta energy: -49.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -604.254606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.254606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.254606 (E_RNA)
where:
Base-Base interactions energy: -224.633
where: short stacking energy: -172.036
Base-Backbone interact. energy: -2.508
local terms energy: -377.113629
where:
bonds (distance) C4'-P energy: -109.279
bonds (distance) P-C4' energy: -119.996
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -543.916650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.916650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.916650 (E_RNA)
where:
Base-Base interactions energy: -244.271
where: short stacking energy: -159.804
Base-Backbone interact. energy: 4.918
local terms energy: -304.563361
where:
bonds (distance) C4'-P energy: -108.242
bonds (distance) P-C4' energy: -112.747
flat angles C4'-P-C4' energy: -74.929
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: 23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2155.491153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.491153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.491153 (E_RNA)
where:
Base-Base interactions energy: -1472.063
where: short stacking energy: -655.728
Base-Backbone interact. energy: -3.130
local terms energy: -680.298655
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -134.760
flat angles C4'-P-C4' energy: -146.034
flat angles P-C4'-P energy: -96.807
tors. eta vs tors. theta energy: -177.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2058.540202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.540202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.540202 (E_RNA)
where:
Base-Base interactions energy: -1380.229
where: short stacking energy: -618.572
Base-Backbone interact. energy: -2.584
local terms energy: -675.727439
where:
bonds (distance) C4'-P energy: -127.074
bonds (distance) P-C4' energy: -120.897
flat angles C4'-P-C4' energy: -139.310
flat angles P-C4'-P energy: -94.841
tors. eta vs tors. theta energy: -193.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2009.082653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.082653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.082653 (E_RNA)
where:
Base-Base interactions energy: -1405.628
where: short stacking energy: -586.527
Base-Backbone interact. energy: -2.803
local terms energy: -600.651142
where:
bonds (distance) C4'-P energy: -97.326
bonds (distance) P-C4' energy: -113.510
flat angles C4'-P-C4' energy: -138.690
flat angles P-C4'-P energy: -84.935
tors. eta vs tors. theta energy: -166.190
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1894.112159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.112159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.112159 (E_RNA)
where:
Base-Base interactions energy: -1304.180
where: short stacking energy: -564.217
Base-Backbone interact. energy: -2.550
local terms energy: -587.381964
where:
bonds (distance) C4'-P energy: -109.174
bonds (distance) P-C4' energy: -118.989
flat angles C4'-P-C4' energy: -135.617
flat angles P-C4'-P energy: -83.000
tors. eta vs tors. theta energy: -140.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1636.324434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.324434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.324434 (E_RNA)
where:
Base-Base interactions energy: -1067.748
where: short stacking energy: -489.600
Base-Backbone interact. energy: 0.640
local terms energy: -569.216001
where:
bonds (distance) C4'-P energy: -116.964
bonds (distance) P-C4' energy: -119.119
flat angles C4'-P-C4' energy: -123.089
flat angles P-C4'-P energy: -78.533
tors. eta vs tors. theta energy: -131.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1582.393848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.393848 (E_RNA)
where:
Base-Base interactions energy: -1049.277
where: short stacking energy: -477.545
Base-Backbone interact. energy: -3.101
local terms energy: -530.015596
where:
bonds (distance) C4'-P energy: -99.150
bonds (distance) P-C4' energy: -104.676
flat angles C4'-P-C4' energy: -122.094
flat angles P-C4'-P energy: -77.010
tors. eta vs tors. theta energy: -127.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1193.586604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.586604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.586604 (E_RNA)
where:
Base-Base interactions energy: -709.738
where: short stacking energy: -363.826
Base-Backbone interact. energy: -1.926
local terms energy: -481.922639
where:
bonds (distance) C4'-P energy: -111.781
bonds (distance) P-C4' energy: -113.826
flat angles C4'-P-C4' energy: -110.729
flat angles P-C4'-P energy: -71.739
tors. eta vs tors. theta energy: -73.847
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: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -946.411441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.411441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.411441 (E_RNA)
where:
Base-Base interactions energy: -539.028
where: short stacking energy: -276.579
Base-Backbone interact. energy: 4.078
local terms energy: -411.461660
where:
bonds (distance) C4'-P energy: -102.955
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -102.446
flat angles P-C4'-P energy: -71.989
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -714.206573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.206573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.206573 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -206.352
Base-Backbone interact. energy: -2.685
local terms energy: -361.084325
where:
bonds (distance) C4'-P energy: -107.590
bonds (distance) P-C4' energy: -108.882
flat angles C4'-P-C4' energy: -96.716
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -541.223374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.223374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.223374 (E_RNA)
where:
Base-Base interactions energy: -234.564
where: short stacking energy: -168.785
Base-Backbone interact. energy: 4.024
local terms energy: -310.683572
where:
bonds (distance) C4'-P energy: -104.831
bonds (distance) P-C4' energy: -87.309
flat angles C4'-P-C4' energy: -87.541
flat angles P-C4'-P energy: -61.451
tors. eta vs tors. theta energy: 30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2142.771013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.771013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.771013 (E_RNA)
where:
Base-Base interactions energy: -1474.648
where: short stacking energy: -643.379
Base-Backbone interact. energy: -4.715
local terms energy: -663.407553
where:
bonds (distance) C4'-P energy: -121.821
bonds (distance) P-C4' energy: -116.704
flat angles C4'-P-C4' energy: -149.772
flat angles P-C4'-P energy: -103.829
tors. eta vs tors. theta energy: -171.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2049.169268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.169268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.169268 (E_RNA)
where:
Base-Base interactions energy: -1382.758
where: short stacking energy: -625.487
Base-Backbone interact. energy: -1.161
local terms energy: -665.250554
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -118.866
flat angles C4'-P-C4' energy: -134.772
flat angles P-C4'-P energy: -96.921
tors. eta vs tors. theta energy: -191.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1965.615663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.615663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.615663 (E_RNA)
where:
Base-Base interactions energy: -1345.614
where: short stacking energy: -556.135
Base-Backbone interact. energy: -4.513
local terms energy: -615.488320
where:
bonds (distance) C4'-P energy: -115.033
bonds (distance) P-C4' energy: -126.648
flat angles C4'-P-C4' energy: -135.749
flat angles P-C4'-P energy: -76.588
tors. eta vs tors. theta energy: -161.470
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1874.337134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.337134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.337134 (E_RNA)
where:
Base-Base interactions energy: -1303.177
where: short stacking energy: -550.239
Base-Backbone interact. energy: 1.487
local terms energy: -572.647537
where:
bonds (distance) C4'-P energy: -106.488
bonds (distance) P-C4' energy: -104.902
flat angles C4'-P-C4' energy: -131.150
flat angles P-C4'-P energy: -80.798
tors. eta vs tors. theta energy: -149.311
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1702.686426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.686426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.686426 (E_RNA)
where:
Base-Base interactions energy: -1131.222
where: short stacking energy: -510.289
Base-Backbone interact. energy: -1.030
local terms energy: -570.434507
where:
bonds (distance) C4'-P energy: -123.939
bonds (distance) P-C4' energy: -102.396
flat angles C4'-P-C4' energy: -120.548
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -146.112
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: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1458.346318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.346318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.346318 (E_RNA)
where:
Base-Base interactions energy: -919.838
where: short stacking energy: -408.329
Base-Backbone interact. energy: -3.350
local terms energy: -535.158796
where:
bonds (distance) C4'-P energy: -104.101
bonds (distance) P-C4' energy: -126.634
flat angles C4'-P-C4' energy: -126.126
flat angles P-C4'-P energy: -69.485
tors. eta vs tors. theta energy: -108.812
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: 255
Temperature: 1.200000
Total energy: -1164.442897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.442897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.442897 (E_RNA)
where:
Base-Base interactions energy: -712.311
where: short stacking energy: -348.746
Base-Backbone interact. energy: -3.138
local terms energy: -448.993571
where:
bonds (distance) C4'-P energy: -96.144
bonds (distance) P-C4' energy: -101.181
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -73.246
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1020.488546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.488546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.488546 (E_RNA)
where:
Base-Base interactions energy: -621.659
where: short stacking energy: -301.638
Base-Backbone interact. energy: -3.264
local terms energy: -395.565253
where:
bonds (distance) C4'-P energy: -103.169
bonds (distance) P-C4' energy: -110.196
flat angles C4'-P-C4' energy: -90.800
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -44.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -680.824807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.824807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.824807 (E_RNA)
where:
Base-Base interactions energy: -298.566
where: short stacking energy: -181.680
Base-Backbone interact. energy: -1.749
local terms energy: -380.510238
where:
bonds (distance) C4'-P energy: -110.289
bonds (distance) P-C4' energy: -106.134
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -60.108
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -544.492153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.492153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.492153 (E_RNA)
where:
Base-Base interactions energy: -229.714
where: short stacking energy: -162.783
Base-Backbone interact. energy: -0.344
local terms energy: -314.434166
where:
bonds (distance) C4'-P energy: -93.518
bonds (distance) P-C4' energy: -108.635
flat angles C4'-P-C4' energy: -85.808
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: 14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2133.746373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.746373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.746373 (E_RNA)
where:
Base-Base interactions energy: -1449.519
where: short stacking energy: -623.350
Base-Backbone interact. energy: -2.759
local terms energy: -681.467625
where:
bonds (distance) C4'-P energy: -120.197
bonds (distance) P-C4' energy: -133.866
flat angles C4'-P-C4' energy: -151.698
flat angles P-C4'-P energy: -105.290
tors. eta vs tors. theta energy: -170.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2082.684651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.684651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.684651 (E_RNA)
where:
Base-Base interactions energy: -1427.086
where: short stacking energy: -633.575
Base-Backbone interact. energy: -4.459
local terms energy: -651.139189
where:
bonds (distance) C4'-P energy: -120.484
bonds (distance) P-C4' energy: -112.849
flat angles C4'-P-C4' energy: -139.963
flat angles P-C4'-P energy: -85.764
tors. eta vs tors. theta energy: -192.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1992.589156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.589156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.589156 (E_RNA)
where:
Base-Base interactions energy: -1360.795
where: short stacking energy: -574.598
Base-Backbone interact. energy: -3.737
local terms energy: -628.057400
where:
bonds (distance) C4'-P energy: -111.682
bonds (distance) P-C4' energy: -122.261
flat angles C4'-P-C4' energy: -137.291
flat angles P-C4'-P energy: -81.692
tors. eta vs tors. theta energy: -175.132
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: 256
Temperature: 1.050000
Total energy: -1816.691013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.691013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.691013 (E_RNA)
where:
Base-Base interactions energy: -1230.054
where: short stacking energy: -538.052
Base-Backbone interact. energy: -1.771
local terms energy: -584.866154
where:
bonds (distance) C4'-P energy: -121.462
bonds (distance) P-C4' energy: -110.693
flat angles C4'-P-C4' energy: -127.716
flat angles P-C4'-P energy: -79.981
tors. eta vs tors. theta energy: -145.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1722.227315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.227315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.227315 (E_RNA)
where:
Base-Base interactions energy: -1143.220
where: short stacking energy: -478.958
Base-Backbone interact. energy: -3.554
local terms energy: -575.453429
where:
bonds (distance) C4'-P energy: -125.078
bonds (distance) P-C4' energy: -111.753
flat angles C4'-P-C4' energy: -122.291
flat angles P-C4'-P energy: -81.346
tors. eta vs tors. theta energy: -134.986
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1522.893917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.893917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.893917 (E_RNA)
where:
Base-Base interactions energy: -993.752
where: short stacking energy: -465.517
Base-Backbone interact. energy: -4.416
local terms energy: -524.726003
where:
bonds (distance) C4'-P energy: -90.300
bonds (distance) P-C4' energy: -124.443
flat angles C4'-P-C4' energy: -111.977
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -125.095
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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1112.478007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.478007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.478007 (E_RNA)
where:
Base-Base interactions energy: -660.608
where: short stacking energy: -314.720
Base-Backbone interact. energy: -4.183
local terms energy: -447.686974
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -110.296
flat angles C4'-P-C4' energy: -115.756
flat angles P-C4'-P energy: -54.568
tors. eta vs tors. theta energy: -52.654
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: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1158.209648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.209648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.209648 (E_RNA)
where:
Base-Base interactions energy: -709.384
where: short stacking energy: -347.833
Base-Backbone interact. energy: -1.552
local terms energy: -447.273074
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -122.335
flat angles C4'-P-C4' energy: -99.661
flat angles P-C4'-P energy: -67.389
tors. eta vs tors. theta energy: -64.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -700.469783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.469783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.469783 (E_RNA)
where:
Base-Base interactions energy: -332.282
where: short stacking energy: -205.269
Base-Backbone interact. energy: 0.047
local terms energy: -368.234325
where:
bonds (distance) C4'-P energy: -103.367
bonds (distance) P-C4' energy: -102.573
flat angles C4'-P-C4' energy: -106.030
flat angles P-C4'-P energy: -53.693
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -513.720687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.720687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.720687 (E_RNA)
where:
Base-Base interactions energy: -186.377
where: short stacking energy: -139.903
Base-Backbone interact. energy: -0.844
local terms energy: -326.499788
where:
bonds (distance) C4'-P energy: -92.626
bonds (distance) P-C4' energy: -118.760
flat angles C4'-P-C4' energy: -80.534
flat angles P-C4'-P energy: -53.519
tors. eta vs tors. theta energy: 18.940
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: 257
Temperature: 0.900000
Total energy: -2114.075122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.075122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.075122 (E_RNA)
where:
Base-Base interactions energy: -1451.888
where: short stacking energy: -619.355
Base-Backbone interact. energy: -2.876
local terms energy: -659.310755
where:
bonds (distance) C4'-P energy: -108.932
bonds (distance) P-C4' energy: -131.189
flat angles C4'-P-C4' energy: -143.108
flat angles P-C4'-P energy: -100.020
tors. eta vs tors. theta energy: -176.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2091.990672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.990672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.990672 (E_RNA)
where:
Base-Base interactions energy: -1409.886
where: short stacking energy: -614.019
Base-Backbone interact. energy: -1.018
local terms energy: -681.087330
where:
bonds (distance) C4'-P energy: -125.103
bonds (distance) P-C4' energy: -126.844
flat angles C4'-P-C4' energy: -134.268
flat angles P-C4'-P energy: -102.907
tors. eta vs tors. theta energy: -191.965
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2009.473477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.473477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.473477 (E_RNA)
where:
Base-Base interactions energy: -1387.514
where: short stacking energy: -580.652
Base-Backbone interact. energy: 0.362
local terms energy: -622.322087
where:
bonds (distance) C4'-P energy: -114.593
bonds (distance) P-C4' energy: -112.679
flat angles C4'-P-C4' energy: -128.795
flat angles P-C4'-P energy: -89.122
tors. eta vs tors. theta energy: -177.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1852.532544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.532544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.532544 (E_RNA)
where:
Base-Base interactions energy: -1272.741
where: short stacking energy: -551.193
Base-Backbone interact. energy: 1.243
local terms energy: -581.033944
where:
bonds (distance) C4'-P energy: -116.168
bonds (distance) P-C4' energy: -118.828
flat angles C4'-P-C4' energy: -126.987
flat angles P-C4'-P energy: -76.551
tors. eta vs tors. theta energy: -142.500
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: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1702.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.578348 (E_RNA)
where:
Base-Base interactions energy: -1139.554
where: short stacking energy: -465.214
Base-Backbone interact. energy: -4.379
local terms energy: -558.645482
where:
bonds (distance) C4'-P energy: -110.824
bonds (distance) P-C4' energy: -121.834
flat angles C4'-P-C4' energy: -132.353
flat angles P-C4'-P energy: -68.770
tors. eta vs tors. theta energy: -124.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1490.268309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.268309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.268309 (E_RNA)
where:
Base-Base interactions energy: -963.238
where: short stacking energy: -442.954
Base-Backbone interact. energy: -2.457
local terms energy: -524.573258
where:
bonds (distance) C4'-P energy: -98.461
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -120.276
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: -115.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1098.910714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.910714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.910714 (E_RNA)
where:
Base-Base interactions energy: -669.396
where: short stacking energy: -311.205
Base-Backbone interact. energy: -0.240
local terms energy: -429.274699
where:
bonds (distance) C4'-P energy: -100.553
bonds (distance) P-C4' energy: -125.580
flat angles C4'-P-C4' energy: -104.101
flat angles P-C4'-P energy: -71.807
tors. eta vs tors. theta energy: -27.233
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1104.281032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.281032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.281032 (E_RNA)
where:
Base-Base interactions energy: -663.152
where: short stacking energy: -324.008
Base-Backbone interact. energy: -0.246
local terms energy: -440.882799
where:
bonds (distance) C4'-P energy: -112.684
bonds (distance) P-C4' energy: -106.176
flat angles C4'-P-C4' energy: -99.469
flat angles P-C4'-P energy: -69.647
tors. eta vs tors. theta energy: -52.907
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: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -728.354881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.354881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.354881 (E_RNA)
where:
Base-Base interactions energy: -387.953
where: short stacking energy: -251.719
Base-Backbone interact. energy: -1.479
local terms energy: -338.923651
where:
bonds (distance) C4'-P energy: -85.814
bonds (distance) P-C4' energy: -101.219
flat angles C4'-P-C4' energy: -86.795
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -11.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -501.748579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.748579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.748579 (E_RNA)
where:
Base-Base interactions energy: -188.918
where: short stacking energy: -149.871
Base-Backbone interact. energy: -1.872
local terms energy: -310.959037
where:
bonds (distance) C4'-P energy: -87.080
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: 29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2134.665435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.665435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.665435 (E_RNA)
where:
Base-Base interactions energy: -1480.912
where: short stacking energy: -642.555
Base-Backbone interact. energy: -7.657
local terms energy: -646.096230
where:
bonds (distance) C4'-P energy: -118.502
bonds (distance) P-C4' energy: -125.433
flat angles C4'-P-C4' energy: -143.795
flat angles P-C4'-P energy: -87.043
tors. eta vs tors. theta energy: -171.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2080.286778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.286778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.286778 (E_RNA)
where:
Base-Base interactions energy: -1406.153
where: short stacking energy: -630.379
Base-Backbone interact. energy: -1.870
local terms energy: -672.263377
where:
bonds (distance) C4'-P energy: -108.645
bonds (distance) P-C4' energy: -123.441
flat angles C4'-P-C4' energy: -150.032
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -199.390
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: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1998.256201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.256201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.256201 (E_RNA)
where:
Base-Base interactions energy: -1371.921
where: short stacking energy: -582.980
Base-Backbone interact. energy: -3.473
local terms energy: -622.862044
where:
bonds (distance) C4'-P energy: -117.351
bonds (distance) P-C4' energy: -134.193
flat angles C4'-P-C4' energy: -124.375
flat angles P-C4'-P energy: -85.448
tors. eta vs tors. theta energy: -161.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1889.014663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.014663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.014663 (E_RNA)
where:
Base-Base interactions energy: -1279.468
where: short stacking energy: -553.609
Base-Backbone interact. energy: -0.986
local terms energy: -608.559935
where:
bonds (distance) C4'-P energy: -112.802
bonds (distance) P-C4' energy: -120.008
flat angles C4'-P-C4' energy: -140.247
flat angles P-C4'-P energy: -89.676
tors. eta vs tors. theta energy: -145.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1704.314445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.314445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.314445 (E_RNA)
where:
Base-Base interactions energy: -1129.183
where: short stacking energy: -528.095
Base-Backbone interact. energy: -1.586
local terms energy: -573.544928
where:
bonds (distance) C4'-P energy: -112.236
bonds (distance) P-C4' energy: -116.375
flat angles C4'-P-C4' energy: -133.123
flat angles P-C4'-P energy: -77.467
tors. eta vs tors. theta energy: -134.345
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1463.955740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.955740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.955740 (E_RNA)
where:
Base-Base interactions energy: -963.695
where: short stacking energy: -423.896
Base-Backbone interact. energy: -2.799
local terms energy: -497.461376
where:
bonds (distance) C4'-P energy: -105.449
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -121.507
flat angles P-C4'-P energy: -79.396
tors. eta vs tors. theta energy: -100.236
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: 258
Temperature: 1.200000
Total energy: -1100.490727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.490727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.490727 (E_RNA)
where:
Base-Base interactions energy: -682.331
where: short stacking energy: -327.888
Base-Backbone interact. energy: 2.747
local terms energy: -420.907097
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -101.187
flat angles C4'-P-C4' energy: -110.646
flat angles P-C4'-P energy: -57.835
tors. eta vs tors. theta energy: -49.615
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: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1060.434333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.434333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.434333 (E_RNA)
where:
Base-Base interactions energy: -614.366
where: short stacking energy: -294.686
Base-Backbone interact. energy: -3.174
local terms energy: -442.894874
where:
bonds (distance) C4'-P energy: -119.477
bonds (distance) P-C4' energy: -112.719
flat angles C4'-P-C4' energy: -100.225
flat angles P-C4'-P energy: -61.870
tors. eta vs tors. theta energy: -48.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -758.828172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.828172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.828172 (E_RNA)
where:
Base-Base interactions energy: -396.418
where: short stacking energy: -251.944
Base-Backbone interact. energy: 2.541
local terms energy: -364.951267
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -106.825
flat angles C4'-P-C4' energy: -81.668
flat angles P-C4'-P energy: -53.877
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -568.698689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.698689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.698689 (E_RNA)
where:
Base-Base interactions energy: -254.671
where: short stacking energy: -139.681
Base-Backbone interact. energy: 0.711
local terms energy: -314.739220
where:
bonds (distance) C4'-P energy: -95.533
bonds (distance) P-C4' energy: -107.028
flat angles C4'-P-C4' energy: -89.412
flat angles P-C4'-P energy: -44.191
tors. eta vs tors. theta energy: 21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2131.880225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.880225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.880225 (E_RNA)
where:
Base-Base interactions energy: -1450.216
where: short stacking energy: -620.091
Base-Backbone interact. energy: -5.432
local terms energy: -676.232128
where:
bonds (distance) C4'-P energy: -128.043
bonds (distance) P-C4' energy: -131.389
flat angles C4'-P-C4' energy: -144.787
flat angles P-C4'-P energy: -93.299
tors. eta vs tors. theta energy: -178.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2060.601690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.601690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.601690 (E_RNA)
where:
Base-Base interactions energy: -1379.457
where: short stacking energy: -625.552
Base-Backbone interact. energy: -2.796
local terms energy: -678.348900
where:
bonds (distance) C4'-P energy: -130.395
bonds (distance) P-C4' energy: -119.352
flat angles C4'-P-C4' energy: -141.382
flat angles P-C4'-P energy: -98.274
tors. eta vs tors. theta energy: -188.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1985.073937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.073937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.073937 (E_RNA)
where:
Base-Base interactions energy: -1343.069
where: short stacking energy: -593.790
Base-Backbone interact. energy: -4.022
local terms energy: -637.982361
where:
bonds (distance) C4'-P energy: -131.659
bonds (distance) P-C4' energy: -126.403
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -77.915
tors. eta vs tors. theta energy: -166.510
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: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1817.334622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.334622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.334622 (E_RNA)
where:
Base-Base interactions energy: -1234.519
where: short stacking energy: -532.551
Base-Backbone interact. energy: -2.514
local terms energy: -580.301985
where:
bonds (distance) C4'-P energy: -112.177
bonds (distance) P-C4' energy: -117.398
flat angles C4'-P-C4' energy: -127.243
flat angles P-C4'-P energy: -74.976
tors. eta vs tors. theta energy: -148.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1682.082916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.082916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.082916 (E_RNA)
where:
Base-Base interactions energy: -1114.484
where: short stacking energy: -499.611
Base-Backbone interact. energy: 4.370
local terms energy: -571.969460
where:
bonds (distance) C4'-P energy: -104.005
bonds (distance) P-C4' energy: -121.788
flat angles C4'-P-C4' energy: -123.179
flat angles P-C4'-P energy: -88.125
tors. eta vs tors. theta energy: -134.873
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: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1466.421648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.421648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.421648 (E_RNA)
where:
Base-Base interactions energy: -929.740
where: short stacking energy: -419.674
Base-Backbone interact. energy: -2.664
local terms energy: -534.017224
where:
bonds (distance) C4'-P energy: -113.452
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -130.926
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -103.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1113.390534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.390534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.390534 (E_RNA)
where:
Base-Base interactions energy: -660.915
where: short stacking energy: -360.713
Base-Backbone interact. energy: -1.244
local terms energy: -451.231538
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -109.867
flat angles C4'-P-C4' energy: -109.667
flat angles P-C4'-P energy: -70.068
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: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1094.449948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.449948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.449948 (E_RNA)
where:
Base-Base interactions energy: -661.715
where: short stacking energy: -295.047
Base-Backbone interact. energy: -1.036
local terms energy: -431.698504
where:
bonds (distance) C4'-P energy: -110.959
bonds (distance) P-C4' energy: -113.493
flat angles C4'-P-C4' energy: -93.898
flat angles P-C4'-P energy: -64.869
tors. eta vs tors. theta energy: -48.479
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: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -697.982956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.982956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.982956 (E_RNA)
where:
Base-Base interactions energy: -343.064
where: short stacking energy: -191.413
Base-Backbone interact. energy: -2.843
local terms energy: -352.075396
where:
bonds (distance) C4'-P energy: -102.439
bonds (distance) P-C4' energy: -104.666
flat angles C4'-P-C4' energy: -106.843
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -556.854577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.854577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.854577 (E_RNA)
where:
Base-Base interactions energy: -239.490
where: short stacking energy: -156.675
Base-Backbone interact. energy: -0.933
local terms energy: -316.431437
where:
bonds (distance) C4'-P energy: -79.268
bonds (distance) P-C4' energy: -104.148
flat angles C4'-P-C4' energy: -83.231
flat angles P-C4'-P energy: -60.257
tors. eta vs tors. theta energy: 10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2091.299493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.299493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.299493 (E_RNA)
where:
Base-Base interactions energy: -1445.065
where: short stacking energy: -631.127
Base-Backbone interact. energy: -1.001
local terms energy: -645.233232
where:
bonds (distance) C4'-P energy: -130.892
bonds (distance) P-C4' energy: -125.179
flat angles C4'-P-C4' energy: -141.006
flat angles P-C4'-P energy: -86.780
tors. eta vs tors. theta energy: -161.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2122.721722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.721722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.721722 (E_RNA)
where:
Base-Base interactions energy: -1445.584
where: short stacking energy: -646.664
Base-Backbone interact. energy: -3.038
local terms energy: -674.100036
where:
bonds (distance) C4'-P energy: -122.755
bonds (distance) P-C4' energy: -116.079
flat angles C4'-P-C4' energy: -141.917
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -199.280
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: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1979.101259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.101259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.101259 (E_RNA)
where:
Base-Base interactions energy: -1362.228
where: short stacking energy: -574.751
Base-Backbone interact. energy: 4.367
local terms energy: -621.239716
where:
bonds (distance) C4'-P energy: -116.524
bonds (distance) P-C4' energy: -131.386
flat angles C4'-P-C4' energy: -129.345
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -163.136
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1827.035312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.035312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.035312 (E_RNA)
where:
Base-Base interactions energy: -1241.567
where: short stacking energy: -529.892
Base-Backbone interact. energy: -0.046
local terms energy: -585.422557
where:
bonds (distance) C4'-P energy: -123.137
bonds (distance) P-C4' energy: -113.409
flat angles C4'-P-C4' energy: -127.742
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -136.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1704.758250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.758250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.758250 (E_RNA)
where:
Base-Base interactions energy: -1110.013
where: short stacking energy: -511.392
Base-Backbone interact. energy: -1.517
local terms energy: -593.228222
where:
bonds (distance) C4'-P energy: -124.487
bonds (distance) P-C4' energy: -104.740
flat angles C4'-P-C4' energy: -141.254
flat angles P-C4'-P energy: -82.235
tors. eta vs tors. theta energy: -140.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1480.860887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.860887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.860887 (E_RNA)
where:
Base-Base interactions energy: -976.102
where: short stacking energy: -453.234
Base-Backbone interact. energy: 2.699
local terms energy: -507.457143
where:
bonds (distance) C4'-P energy: -94.944
bonds (distance) P-C4' energy: -113.483
flat angles C4'-P-C4' energy: -114.864
flat angles P-C4'-P energy: -67.684
tors. eta vs tors. theta energy: -116.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1115.504975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.504975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.504975 (E_RNA)
where:
Base-Base interactions energy: -674.352
where: short stacking energy: -355.966
Base-Backbone interact. energy: -1.559
local terms energy: -439.593993
where:
bonds (distance) C4'-P energy: -94.534
bonds (distance) P-C4' energy: -106.154
flat angles C4'-P-C4' energy: -123.619
flat angles P-C4'-P energy: -70.813
tors. eta vs tors. theta energy: -44.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1027.624932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.624932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.624932 (E_RNA)
where:
Base-Base interactions energy: -597.207
where: short stacking energy: -324.934
Base-Backbone interact. energy: 4.878
local terms energy: -435.296686
where:
bonds (distance) C4'-P energy: -112.739
bonds (distance) P-C4' energy: -88.941
flat angles C4'-P-C4' energy: -113.123
flat angles P-C4'-P energy: -62.204
tors. eta vs tors. theta energy: -58.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -785.096850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.096850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.096850 (E_RNA)
where:
Base-Base interactions energy: -409.524
where: short stacking energy: -222.333
Base-Backbone interact. energy: 10.937
local terms energy: -386.510453
where:
bonds (distance) C4'-P energy: -104.738
bonds (distance) P-C4' energy: -111.190
flat angles C4'-P-C4' energy: -90.707
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -518.902067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.902067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.902067 (E_RNA)
where:
Base-Base interactions energy: -203.773
where: short stacking energy: -166.257
Base-Backbone interact. energy: 4.317
local terms energy: -319.446144
where:
bonds (distance) C4'-P energy: -89.978
bonds (distance) P-C4' energy: -100.396
flat angles C4'-P-C4' energy: -95.055
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: 12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2125.620562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.620562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.620562 (E_RNA)
where:
Base-Base interactions energy: -1457.927
where: short stacking energy: -631.667
Base-Backbone interact. energy: -3.532
local terms energy: -664.161134
where:
bonds (distance) C4'-P energy: -123.121
bonds (distance) P-C4' energy: -134.183
flat angles C4'-P-C4' energy: -135.382
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -176.545
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: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2084.993425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.993425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.993425 (E_RNA)
where:
Base-Base interactions energy: -1400.111
where: short stacking energy: -627.718
Base-Backbone interact. energy: 1.503
local terms energy: -686.385017
where:
bonds (distance) C4'-P energy: -124.065
bonds (distance) P-C4' energy: -120.139
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -97.289
tors. eta vs tors. theta energy: -194.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1974.486122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.486122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.486122 (E_RNA)
where:
Base-Base interactions energy: -1334.054
where: short stacking energy: -589.961
Base-Backbone interact. energy: -3.496
local terms energy: -636.935770
where:
bonds (distance) C4'-P energy: -129.576
bonds (distance) P-C4' energy: -105.401
flat angles C4'-P-C4' energy: -136.868
flat angles P-C4'-P energy: -96.294
tors. eta vs tors. theta energy: -168.797
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1866.045552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.045552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.045552 (E_RNA)
where:
Base-Base interactions energy: -1268.271
where: short stacking energy: -529.174
Base-Backbone interact. energy: -4.981
local terms energy: -592.793975
where:
bonds (distance) C4'-P energy: -111.697
bonds (distance) P-C4' energy: -110.382
flat angles C4'-P-C4' energy: -128.748
flat angles P-C4'-P energy: -83.872
tors. eta vs tors. theta energy: -158.095
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: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1671.462690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.462690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.462690 (E_RNA)
where:
Base-Base interactions energy: -1091.948
where: short stacking energy: -497.741
Base-Backbone interact. energy: 0.061
local terms energy: -579.575189
where:
bonds (distance) C4'-P energy: -95.261
bonds (distance) P-C4' energy: -118.488
flat angles C4'-P-C4' energy: -126.942
flat angles P-C4'-P energy: -92.968
tors. eta vs tors. theta energy: -145.915
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: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1505.964947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.964947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.964947 (E_RNA)
where:
Base-Base interactions energy: -960.920
where: short stacking energy: -427.927
Base-Backbone interact. energy: -1.072
local terms energy: -543.972742
where:
bonds (distance) C4'-P energy: -100.146
bonds (distance) P-C4' energy: -112.009
flat angles C4'-P-C4' energy: -134.771
flat angles P-C4'-P energy: -73.107
tors. eta vs tors. theta energy: -123.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1121.511227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.511227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.511227 (E_RNA)
where:
Base-Base interactions energy: -654.280
where: short stacking energy: -333.301
Base-Backbone interact. energy: -1.534
local terms energy: -465.697977
where:
bonds (distance) C4'-P energy: -105.104
bonds (distance) P-C4' energy: -118.330
flat angles C4'-P-C4' energy: -115.415
flat angles P-C4'-P energy: -67.012
tors. eta vs tors. theta energy: -59.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1046.830711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.830711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.830711 (E_RNA)
where:
Base-Base interactions energy: -629.081
where: short stacking energy: -297.740
Base-Backbone interact. energy: -0.018
local terms energy: -417.730780
where:
bonds (distance) C4'-P energy: -109.674
bonds (distance) P-C4' energy: -112.530
flat angles C4'-P-C4' energy: -94.841
flat angles P-C4'-P energy: -58.918
tors. eta vs tors. theta energy: -41.768
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: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -805.372585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.372585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.372585 (E_RNA)
where:
Base-Base interactions energy: -442.021
where: short stacking energy: -262.286
Base-Backbone interact. energy: 2.897
local terms energy: -366.248238
where:
bonds (distance) C4'-P energy: -93.214
bonds (distance) P-C4' energy: -87.129
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -39.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -492.868166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.868166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.868166 (E_RNA)
where:
Base-Base interactions energy: -192.689
where: short stacking energy: -142.931
Base-Backbone interact. energy: -2.127
local terms energy: -298.052499
where:
bonds (distance) C4'-P energy: -77.452
bonds (distance) P-C4' energy: -117.427
flat angles C4'-P-C4' energy: -72.219
flat angles P-C4'-P energy: -53.221
tors. eta vs tors. theta energy: 22.267
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: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2127.075228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.075228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.075228 (E_RNA)
where:
Base-Base interactions energy: -1436.637
where: short stacking energy: -616.370
Base-Backbone interact. energy: -0.246
local terms energy: -690.191780
where:
bonds (distance) C4'-P energy: -134.729
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -152.279
flat angles P-C4'-P energy: -102.051
tors. eta vs tors. theta energy: -176.203
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: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2098.039813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.039813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.039813 (E_RNA)
where:
Base-Base interactions energy: -1439.285
where: short stacking energy: -638.605
Base-Backbone interact. energy: -1.150
local terms energy: -657.604568
where:
bonds (distance) C4'-P energy: -114.871
bonds (distance) P-C4' energy: -110.889
flat angles C4'-P-C4' energy: -136.232
flat angles P-C4'-P energy: -97.010
tors. eta vs tors. theta energy: -198.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1987.594243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.594243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.594243 (E_RNA)
where:
Base-Base interactions energy: -1353.059
where: short stacking energy: -595.913
Base-Backbone interact. energy: 4.326
local terms energy: -638.862054
where:
bonds (distance) C4'-P energy: -113.031
bonds (distance) P-C4' energy: -127.956
flat angles C4'-P-C4' energy: -134.229
flat angles P-C4'-P energy: -87.126
tors. eta vs tors. theta energy: -176.520
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: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1803.076221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.076221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.076221 (E_RNA)
where:
Base-Base interactions energy: -1211.591
where: short stacking energy: -537.535
Base-Backbone interact. energy: -3.627
local terms energy: -587.857815
where:
bonds (distance) C4'-P energy: -93.667
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -140.300
flat angles P-C4'-P energy: -88.131
tors. eta vs tors. theta energy: -146.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1711.927156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.927156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.927156 (E_RNA)
where:
Base-Base interactions energy: -1118.278
where: short stacking energy: -525.997
Base-Backbone interact. energy: 0.109
local terms energy: -593.757554
where:
bonds (distance) C4'-P energy: -109.034
bonds (distance) P-C4' energy: -111.341
flat angles C4'-P-C4' energy: -135.331
flat angles P-C4'-P energy: -86.671
tors. eta vs tors. theta energy: -151.380
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1480.964802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.964802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.964802 (E_RNA)
where:
Base-Base interactions energy: -957.359
where: short stacking energy: -443.076
Base-Backbone interact. energy: -1.790
local terms energy: -521.815920
where:
bonds (distance) C4'-P energy: -104.448
bonds (distance) P-C4' energy: -103.545
flat angles C4'-P-C4' energy: -126.474
flat angles P-C4'-P energy: -79.146
tors. eta vs tors. theta energy: -108.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1102.861632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.861632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.861632 (E_RNA)
where:
Base-Base interactions energy: -664.846
where: short stacking energy: -344.530
Base-Backbone interact. energy: -0.088
local terms energy: -437.927865
where:
bonds (distance) C4'-P energy: -120.296
bonds (distance) P-C4' energy: -102.451
flat angles C4'-P-C4' energy: -104.426
flat angles P-C4'-P energy: -65.160
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1063.109112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.109112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.109112 (E_RNA)
where:
Base-Base interactions energy: -622.628
where: short stacking energy: -323.576
Base-Backbone interact. energy: 1.359
local terms energy: -441.840323
where:
bonds (distance) C4'-P energy: -115.284
bonds (distance) P-C4' energy: -119.009
flat angles C4'-P-C4' energy: -103.443
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -64.793
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -813.727519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.727519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.727519 (E_RNA)
where:
Base-Base interactions energy: -412.351
where: short stacking energy: -221.384
Base-Backbone interact. energy: 1.335
local terms energy: -402.711036
where:
bonds (distance) C4'-P energy: -116.577
bonds (distance) P-C4' energy: -93.210
flat angles C4'-P-C4' energy: -104.128
flat angles P-C4'-P energy: -66.614
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -491.554066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.554066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.554066 (E_RNA)
where:
Base-Base interactions energy: -177.081
where: short stacking energy: -143.489
Base-Backbone interact. energy: 3.417
local terms energy: -317.890505
where:
bonds (distance) C4'-P energy: -100.747
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -54.416
tors. eta vs tors. theta energy: 14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2135.174258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.174258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.174258 (E_RNA)
where:
Base-Base interactions energy: -1451.741
where: short stacking energy: -604.153
Base-Backbone interact. energy: -1.822
local terms energy: -681.612093
where:
bonds (distance) C4'-P energy: -135.367
bonds (distance) P-C4' energy: -129.739
flat angles C4'-P-C4' energy: -136.306
flat angles P-C4'-P energy: -101.816
tors. eta vs tors. theta energy: -178.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2087.120404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.120404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.120404 (E_RNA)
where:
Base-Base interactions energy: -1440.349
where: short stacking energy: -643.740
Base-Backbone interact. energy: -0.531
local terms energy: -646.240155
where:
bonds (distance) C4'-P energy: -118.709
bonds (distance) P-C4' energy: -112.845
flat angles C4'-P-C4' energy: -134.174
flat angles P-C4'-P energy: -87.464
tors. eta vs tors. theta energy: -193.048
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: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2001.400594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.400594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.400594 (E_RNA)
where:
Base-Base interactions energy: -1359.759
where: short stacking energy: -575.111
Base-Backbone interact. energy: -3.492
local terms energy: -638.150131
where:
bonds (distance) C4'-P energy: -116.587
bonds (distance) P-C4' energy: -132.623
flat angles C4'-P-C4' energy: -137.201
flat angles P-C4'-P energy: -81.819
tors. eta vs tors. theta energy: -169.920
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: 263
Temperature: 1.050000
Total energy: -1801.169759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.169759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.169759 (E_RNA)
where:
Base-Base interactions energy: -1231.535
where: short stacking energy: -553.676
Base-Backbone interact. energy: 1.520
local terms energy: -571.154514
where:
bonds (distance) C4'-P energy: -102.389
bonds (distance) P-C4' energy: -120.110
flat angles C4'-P-C4' energy: -123.231
flat angles P-C4'-P energy: -82.254
tors. eta vs tors. theta energy: -143.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1674.208501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.208501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.208501 (E_RNA)
where:
Base-Base interactions energy: -1117.140
where: short stacking energy: -497.037
Base-Backbone interact. energy: -2.404
local terms energy: -554.664353
where:
bonds (distance) C4'-P energy: -111.887
bonds (distance) P-C4' energy: -111.713
flat angles C4'-P-C4' energy: -127.693
flat angles P-C4'-P energy: -66.169
tors. eta vs tors. theta energy: -137.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1470.716691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.716691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.716691 (E_RNA)
where:
Base-Base interactions energy: -945.979
where: short stacking energy: -408.680
Base-Backbone interact. energy: -1.411
local terms energy: -523.327247
where:
bonds (distance) C4'-P energy: -125.227
bonds (distance) P-C4' energy: -100.293
flat angles C4'-P-C4' energy: -123.356
flat angles P-C4'-P energy: -73.601
tors. eta vs tors. theta energy: -100.849
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: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1151.837463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.837463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.837463 (E_RNA)
where:
Base-Base interactions energy: -694.554
where: short stacking energy: -351.938
Base-Backbone interact. energy: -2.349
local terms energy: -454.933788
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -122.708
flat angles P-C4'-P energy: -63.983
tors. eta vs tors. theta energy: -61.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1033.062470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.062470 (E_RNA)
where:
Base-Base interactions energy: -614.603
where: short stacking energy: -314.058
Base-Backbone interact. energy: 1.191
local terms energy: -419.650713
where:
bonds (distance) C4'-P energy: -113.793
bonds (distance) P-C4' energy: -102.613
flat angles C4'-P-C4' energy: -107.843
flat angles P-C4'-P energy: -55.121
tors. eta vs tors. theta energy: -40.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -831.551569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.551569 (E_RNA)
where:
Base-Base interactions energy: -513.612
where: short stacking energy: -215.279
Base-Backbone interact. energy: 3.337
local terms energy: -321.276796
where:
bonds (distance) C4'-P energy: -100.758
bonds (distance) P-C4' energy: -91.122
flat angles C4'-P-C4' energy: -74.691
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -505.589185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.589185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.589185 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -134.164
Base-Backbone interact. energy: -1.468
local terms energy: -355.181866
where:
bonds (distance) C4'-P energy: -94.066
bonds (distance) P-C4' energy: -128.564
flat angles C4'-P-C4' energy: -100.740
flat angles P-C4'-P energy: -38.692
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: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2133.832583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.832583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.832583 (E_RNA)
where:
Base-Base interactions energy: -1503.672
where: short stacking energy: -652.591
Base-Backbone interact. energy: -3.534
local terms energy: -626.626552
where:
bonds (distance) C4'-P energy: -114.144
bonds (distance) P-C4' energy: -110.398
flat angles C4'-P-C4' energy: -137.288
flat angles P-C4'-P energy: -100.968
tors. eta vs tors. theta energy: -163.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2076.305054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.305054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.305054 (E_RNA)
where:
Base-Base interactions energy: -1401.377
where: short stacking energy: -609.886
Base-Backbone interact. energy: -1.686
local terms energy: -673.241433
where:
bonds (distance) C4'-P energy: -135.088
bonds (distance) P-C4' energy: -117.236
flat angles C4'-P-C4' energy: -137.535
flat angles P-C4'-P energy: -90.995
tors. eta vs tors. theta energy: -192.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1969.882933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.882933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.882933 (E_RNA)
where:
Base-Base interactions energy: -1373.254
where: short stacking energy: -576.904
Base-Backbone interact. energy: -3.303
local terms energy: -593.325862
where:
bonds (distance) C4'-P energy: -101.595
bonds (distance) P-C4' energy: -103.716
flat angles C4'-P-C4' energy: -135.783
flat angles P-C4'-P energy: -84.636
tors. eta vs tors. theta energy: -167.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1850.979285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.979285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.979285 (E_RNA)
where:
Base-Base interactions energy: -1268.404
where: short stacking energy: -559.704
Base-Backbone interact. energy: -4.151
local terms energy: -578.424833
where:
bonds (distance) C4'-P energy: -102.532
bonds (distance) P-C4' energy: -114.826
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -89.570
tors. eta vs tors. theta energy: -153.628
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1687.340033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.340033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.340033 (E_RNA)
where:
Base-Base interactions energy: -1105.433
where: short stacking energy: -520.059
Base-Backbone interact. energy: -1.758
local terms energy: -580.148350
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -110.179
flat angles C4'-P-C4' energy: -119.576
flat angles P-C4'-P energy: -70.870
tors. eta vs tors. theta energy: -160.143
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: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1481.792912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.792912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.792912 (E_RNA)
where:
Base-Base interactions energy: -947.464
where: short stacking energy: -403.651
Base-Backbone interact. energy: -3.363
local terms energy: -530.965605
where:
bonds (distance) C4'-P energy: -125.148
bonds (distance) P-C4' energy: -102.797
flat angles C4'-P-C4' energy: -125.239
flat angles P-C4'-P energy: -86.981
tors. eta vs tors. theta energy: -90.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1104.195285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.195285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.195285 (E_RNA)
where:
Base-Base interactions energy: -663.125
where: short stacking energy: -314.328
Base-Backbone interact. energy: 2.887
local terms energy: -443.956636
where:
bonds (distance) C4'-P energy: -114.814
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -91.719
flat angles P-C4'-P energy: -78.812
tors. eta vs tors. theta energy: -53.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -942.471232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.471232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.471232 (E_RNA)
where:
Base-Base interactions energy: -531.028
where: short stacking energy: -267.425
Base-Backbone interact. energy: -1.857
local terms energy: -409.585637
where:
bonds (distance) C4'-P energy: -109.717
bonds (distance) P-C4' energy: -104.610
flat angles C4'-P-C4' energy: -106.848
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -27.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -814.807619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.807619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.807619 (E_RNA)
where:
Base-Base interactions energy: -453.487
where: short stacking energy: -234.780
Base-Backbone interact. energy: -3.164
local terms energy: -358.156500
where:
bonds (distance) C4'-P energy: -99.418
bonds (distance) P-C4' energy: -112.552
flat angles C4'-P-C4' energy: -76.771
flat angles P-C4'-P energy: -53.771
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -514.540107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.540107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.540107 (E_RNA)
where:
Base-Base interactions energy: -185.561
where: short stacking energy: -145.613
Base-Backbone interact. energy: -0.772
local terms energy: -328.206198
where:
bonds (distance) C4'-P energy: -108.281
bonds (distance) P-C4' energy: -111.814
flat angles C4'-P-C4' energy: -92.421
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: 19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2111.143983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.143983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.143983 (E_RNA)
where:
Base-Base interactions energy: -1450.945
where: short stacking energy: -632.974
Base-Backbone interact. energy: -2.099
local terms energy: -658.099762
where:
bonds (distance) C4'-P energy: -113.997
bonds (distance) P-C4' energy: -123.830
flat angles C4'-P-C4' energy: -146.814
flat angles P-C4'-P energy: -100.882
tors. eta vs tors. theta energy: -172.577
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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2064.529709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.529709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.529709 (E_RNA)
where:
Base-Base interactions energy: -1408.272
where: short stacking energy: -617.347
Base-Backbone interact. energy: -1.984
local terms energy: -654.273963
where:
bonds (distance) C4'-P energy: -108.959
bonds (distance) P-C4' energy: -111.260
flat angles C4'-P-C4' energy: -148.119
flat angles P-C4'-P energy: -94.366
tors. eta vs tors. theta energy: -191.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2031.841718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.841718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.841718 (E_RNA)
where:
Base-Base interactions energy: -1379.560
where: short stacking energy: -584.955
Base-Backbone interact. energy: -5.773
local terms energy: -646.508092
where:
bonds (distance) C4'-P energy: -130.091
bonds (distance) P-C4' energy: -127.619
flat angles C4'-P-C4' energy: -145.409
flat angles P-C4'-P energy: -83.466
tors. eta vs tors. theta energy: -159.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1842.112910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.112910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.112910 (E_RNA)
where:
Base-Base interactions energy: -1262.296
where: short stacking energy: -557.064
Base-Backbone interact. energy: -3.892
local terms energy: -575.924454
where:
bonds (distance) C4'-P energy: -107.163
bonds (distance) P-C4' energy: -121.620
flat angles C4'-P-C4' energy: -132.687
flat angles P-C4'-P energy: -67.885
tors. eta vs tors. theta energy: -146.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1713.383132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.383132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.383132 (E_RNA)
where:
Base-Base interactions energy: -1106.285
where: short stacking energy: -513.527
Base-Backbone interact. energy: -1.460
local terms energy: -605.638330
where:
bonds (distance) C4'-P energy: -115.948
bonds (distance) P-C4' energy: -117.358
flat angles C4'-P-C4' energy: -130.411
flat angles P-C4'-P energy: -84.585
tors. eta vs tors. theta energy: -157.337
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: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1403.341908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.341908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.341908 (E_RNA)
where:
Base-Base interactions energy: -927.920
where: short stacking energy: -396.692
Base-Backbone interact. energy: 1.521
local terms energy: -476.943442
where:
bonds (distance) C4'-P energy: -105.806
bonds (distance) P-C4' energy: -98.901
flat angles C4'-P-C4' energy: -117.655
flat angles P-C4'-P energy: -78.241
tors. eta vs tors. theta energy: -76.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1141.222074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.222074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.222074 (E_RNA)
where:
Base-Base interactions energy: -697.765
where: short stacking energy: -331.808
Base-Backbone interact. energy: -2.792
local terms energy: -440.665950
where:
bonds (distance) C4'-P energy: -107.318
bonds (distance) P-C4' energy: -121.516
flat angles C4'-P-C4' energy: -101.053
flat angles P-C4'-P energy: -66.663
tors. eta vs tors. theta energy: -44.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -913.808809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.808809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.808809 (E_RNA)
where:
Base-Base interactions energy: -512.100
where: short stacking energy: -269.377
Base-Backbone interact. energy: 2.853
local terms energy: -404.561882
where:
bonds (distance) C4'-P energy: -95.192
bonds (distance) P-C4' energy: -113.312
flat angles C4'-P-C4' energy: -101.505
flat angles P-C4'-P energy: -66.093
tors. eta vs tors. theta energy: -28.459
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: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -731.866199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.866199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.866199 (E_RNA)
where:
Base-Base interactions energy: -352.293
where: short stacking energy: -224.264
Base-Backbone interact. energy: -1.166
local terms energy: -378.407324
where:
bonds (distance) C4'-P energy: -113.031
bonds (distance) P-C4' energy: -111.079
flat angles C4'-P-C4' energy: -86.016
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -8.114
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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -530.097463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.097463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.097463 (E_RNA)
where:
Base-Base interactions energy: -191.529
where: short stacking energy: -177.918
Base-Backbone interact. energy: -2.353
local terms energy: -336.215731
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -98.837
flat angles C4'-P-C4' energy: -96.232
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: 4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2116.886681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.886681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.886681 (E_RNA)
where:
Base-Base interactions energy: -1454.008
where: short stacking energy: -622.307
Base-Backbone interact. energy: -0.686
local terms energy: -662.193155
where:
bonds (distance) C4'-P energy: -123.989
bonds (distance) P-C4' energy: -128.294
flat angles C4'-P-C4' energy: -138.324
flat angles P-C4'-P energy: -103.595
tors. eta vs tors. theta energy: -167.991
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: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2058.970550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.970550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.970550 (E_RNA)
where:
Base-Base interactions energy: -1391.080
where: short stacking energy: -626.450
Base-Backbone interact. energy: 0.926
local terms energy: -668.815938
where:
bonds (distance) C4'-P energy: -127.137
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -152.057
flat angles P-C4'-P energy: -78.853
tors. eta vs tors. theta energy: -184.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2036.749933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.749933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.749933 (E_RNA)
where:
Base-Base interactions energy: -1391.446
where: short stacking energy: -583.900
Base-Backbone interact. energy: -2.443
local terms energy: -642.860802
where:
bonds (distance) C4'-P energy: -122.174
bonds (distance) P-C4' energy: -129.126
flat angles C4'-P-C4' energy: -133.682
flat angles P-C4'-P energy: -87.406
tors. eta vs tors. theta energy: -170.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1864.528834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.528834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.528834 (E_RNA)
where:
Base-Base interactions energy: -1307.566
where: short stacking energy: -564.903
Base-Backbone interact. energy: -2.300
local terms energy: -554.662813
where:
bonds (distance) C4'-P energy: -101.512
bonds (distance) P-C4' energy: -114.302
flat angles C4'-P-C4' energy: -115.301
flat angles P-C4'-P energy: -67.616
tors. eta vs tors. theta energy: -155.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1698.056401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.056401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.056401 (E_RNA)
where:
Base-Base interactions energy: -1116.133
where: short stacking energy: -537.165
Base-Backbone interact. energy: -3.465
local terms energy: -578.458845
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -106.307
flat angles C4'-P-C4' energy: -134.818
flat angles P-C4'-P energy: -81.171
tors. eta vs tors. theta energy: -159.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1465.341903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.341903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.341903 (E_RNA)
where:
Base-Base interactions energy: -944.627
where: short stacking energy: -425.566
Base-Backbone interact. energy: -2.666
local terms energy: -518.049391
where:
bonds (distance) C4'-P energy: -112.557
bonds (distance) P-C4' energy: -113.790
flat angles C4'-P-C4' energy: -115.382
flat angles P-C4'-P energy: -75.871
tors. eta vs tors. theta energy: -100.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1216.271317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.271317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.271317 (E_RNA)
where:
Base-Base interactions energy: -745.895
where: short stacking energy: -386.726
Base-Backbone interact. energy: 2.520
local terms energy: -472.896290
where:
bonds (distance) C4'-P energy: -98.509
bonds (distance) P-C4' energy: -120.766
flat angles C4'-P-C4' energy: -102.505
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -82.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -953.603715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.603715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.603715 (E_RNA)
where:
Base-Base interactions energy: -532.202
where: short stacking energy: -269.283
Base-Backbone interact. energy: -0.685
local terms energy: -420.717045
where:
bonds (distance) C4'-P energy: -111.815
bonds (distance) P-C4' energy: -109.723
flat angles C4'-P-C4' energy: -114.003
flat angles P-C4'-P energy: -52.934
tors. eta vs tors. theta energy: -32.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -809.315337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.315337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.315337 (E_RNA)
where:
Base-Base interactions energy: -450.873
where: short stacking energy: -234.882
Base-Backbone interact. energy: -4.251
local terms energy: -354.191717
where:
bonds (distance) C4'-P energy: -101.294
bonds (distance) P-C4' energy: -110.528
flat angles C4'-P-C4' energy: -91.382
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -17.774
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: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -535.873755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.873755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.873755 (E_RNA)
where:
Base-Base interactions energy: -221.939
where: short stacking energy: -193.980
Base-Backbone interact. energy: -0.197
local terms energy: -313.737201
where:
bonds (distance) C4'-P energy: -105.248
bonds (distance) P-C4' energy: -104.452
flat angles C4'-P-C4' energy: -75.027
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: 4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2130.387637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.387637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.387637 (E_RNA)
where:
Base-Base interactions energy: -1456.726
where: short stacking energy: -629.890
Base-Backbone interact. energy: -2.529
local terms energy: -671.133001
where:
bonds (distance) C4'-P energy: -140.363
bonds (distance) P-C4' energy: -134.350
flat angles C4'-P-C4' energy: -140.215
flat angles P-C4'-P energy: -88.230
tors. eta vs tors. theta energy: -167.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2041.503617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.503617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.503617 (E_RNA)
where:
Base-Base interactions energy: -1376.647
where: short stacking energy: -611.733
Base-Backbone interact. energy: -4.255
local terms energy: -660.601073
where:
bonds (distance) C4'-P energy: -114.347
bonds (distance) P-C4' energy: -117.533
flat angles C4'-P-C4' energy: -133.171
flat angles P-C4'-P energy: -107.555
tors. eta vs tors. theta energy: -187.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2030.728044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.728044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.728044 (E_RNA)
where:
Base-Base interactions energy: -1406.521
where: short stacking energy: -572.070
Base-Backbone interact. energy: -5.868
local terms energy: -618.338592
where:
bonds (distance) C4'-P energy: -131.578
bonds (distance) P-C4' energy: -104.726
flat angles C4'-P-C4' energy: -131.477
flat angles P-C4'-P energy: -78.048
tors. eta vs tors. theta energy: -172.510
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1906.860972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.860972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.860972 (E_RNA)
where:
Base-Base interactions energy: -1329.151
where: short stacking energy: -524.938
Base-Backbone interact. energy: -5.970
local terms energy: -571.740049
where:
bonds (distance) C4'-P energy: -126.293
bonds (distance) P-C4' energy: -95.862
flat angles C4'-P-C4' energy: -123.284
flat angles P-C4'-P energy: -72.097
tors. eta vs tors. theta energy: -154.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1706.533524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.533524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.533524 (E_RNA)
where:
Base-Base interactions energy: -1131.325
where: short stacking energy: -477.838
Base-Backbone interact. energy: -0.784
local terms energy: -574.424374
where:
bonds (distance) C4'-P energy: -111.804
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -114.924
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -141.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1453.396020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.396020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.396020 (E_RNA)
where:
Base-Base interactions energy: -961.496
where: short stacking energy: -424.331
Base-Backbone interact. energy: -2.731
local terms energy: -489.169504
where:
bonds (distance) C4'-P energy: -103.800
bonds (distance) P-C4' energy: -124.636
flat angles C4'-P-C4' energy: -102.164
flat angles P-C4'-P energy: -58.411
tors. eta vs tors. theta energy: -100.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1219.317643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.317643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.317643 (E_RNA)
where:
Base-Base interactions energy: -743.002
where: short stacking energy: -368.474
Base-Backbone interact. energy: -2.417
local terms energy: -473.898646
where:
bonds (distance) C4'-P energy: -99.676
bonds (distance) P-C4' energy: -113.329
flat angles C4'-P-C4' energy: -110.949
flat angles P-C4'-P energy: -64.492
tors. eta vs tors. theta energy: -85.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -970.143780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.143780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.143780 (E_RNA)
where:
Base-Base interactions energy: -537.241
where: short stacking energy: -269.183
Base-Backbone interact. energy: -0.748
local terms energy: -432.154723
where:
bonds (distance) C4'-P energy: -118.997
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -104.800
flat angles P-C4'-P energy: -59.453
tors. eta vs tors. theta energy: -29.529
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: 9, replica: 5
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -819.676424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.676424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.676424 (E_RNA)
where:
Base-Base interactions energy: -444.922
where: short stacking energy: -244.120
Base-Backbone interact. energy: -2.423
local terms energy: -372.331391
where:
bonds (distance) C4'-P energy: -94.568
bonds (distance) P-C4' energy: -116.716
flat angles C4'-P-C4' energy: -88.331
flat angles P-C4'-P energy: -58.369
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: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -546.303096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.303096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.303096 (E_RNA)
where:
Base-Base interactions energy: -210.276
where: short stacking energy: -150.776
Base-Backbone interact. energy: -3.337
local terms energy: -332.690509
where:
bonds (distance) C4'-P energy: -99.237
bonds (distance) P-C4' energy: -105.038
flat angles C4'-P-C4' energy: -94.501
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: 15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2154.561985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.561985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.561985 (E_RNA)
where:
Base-Base interactions energy: -1470.845
where: short stacking energy: -635.738
Base-Backbone interact. energy: -5.718
local terms energy: -677.999007
where:
bonds (distance) C4'-P energy: -113.518
bonds (distance) P-C4' energy: -141.704
flat angles C4'-P-C4' energy: -142.259
flat angles P-C4'-P energy: -99.179
tors. eta vs tors. theta energy: -181.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2085.226040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.226040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.226040 (E_RNA)
where:
Base-Base interactions energy: -1423.926
where: short stacking energy: -613.191
Base-Backbone interact. energy: -3.448
local terms energy: -657.852637
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -115.611
flat angles C4'-P-C4' energy: -145.136
flat angles P-C4'-P energy: -98.148
tors. eta vs tors. theta energy: -187.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2017.201495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.201495 (E_RNA)
where:
Base-Base interactions energy: -1386.996
where: short stacking energy: -587.331
Base-Backbone interact. energy: 2.476
local terms energy: -632.680861
where:
bonds (distance) C4'-P energy: -108.513
bonds (distance) P-C4' energy: -120.863
flat angles C4'-P-C4' energy: -142.276
flat angles P-C4'-P energy: -91.543
tors. eta vs tors. theta energy: -169.486
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: 268
Temperature: 1.050000
Total energy: -1902.193721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.193721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.193721 (E_RNA)
where:
Base-Base interactions energy: -1309.366
where: short stacking energy: -531.795
Base-Backbone interact. energy: -3.330
local terms energy: -589.497238
where:
bonds (distance) C4'-P energy: -106.980
bonds (distance) P-C4' energy: -120.120
flat angles C4'-P-C4' energy: -128.345
flat angles P-C4'-P energy: -82.984
tors. eta vs tors. theta energy: -151.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1671.968555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.968555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.968555 (E_RNA)
where:
Base-Base interactions energy: -1105.466
where: short stacking energy: -502.795
Base-Backbone interact. energy: -2.422
local terms energy: -564.080911
where:
bonds (distance) C4'-P energy: -105.966
bonds (distance) P-C4' energy: -123.675
flat angles C4'-P-C4' energy: -114.748
flat angles P-C4'-P energy: -81.154
tors. eta vs tors. theta energy: -138.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1518.105213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.105213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.105213 (E_RNA)
where:
Base-Base interactions energy: -988.674
where: short stacking energy: -438.506
Base-Backbone interact. energy: -1.652
local terms energy: -527.779893
where:
bonds (distance) C4'-P energy: -117.596
bonds (distance) P-C4' energy: -106.882
flat angles C4'-P-C4' energy: -121.688
flat angles P-C4'-P energy: -70.551
tors. eta vs tors. theta energy: -111.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1162.142126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.142126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.142126 (E_RNA)
where:
Base-Base interactions energy: -738.745
where: short stacking energy: -322.783
Base-Backbone interact. energy: 0.363
local terms energy: -423.759849
where:
bonds (distance) C4'-P energy: -90.951
bonds (distance) P-C4' energy: -107.150
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -60.139
tors. eta vs tors. theta energy: -61.070
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: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -941.058479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.058479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.058479 (E_RNA)
where:
Base-Base interactions energy: -541.635
where: short stacking energy: -278.217
Base-Backbone interact. energy: 0.895
local terms energy: -400.318873
where:
bonds (distance) C4'-P energy: -91.251
bonds (distance) P-C4' energy: -117.993
flat angles C4'-P-C4' energy: -109.975
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -27.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -834.923133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.923133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.923133 (E_RNA)
where:
Base-Base interactions energy: -446.235
where: short stacking energy: -226.731
Base-Backbone interact. energy: -2.346
local terms energy: -386.342407
where:
bonds (distance) C4'-P energy: -94.603
bonds (distance) P-C4' energy: -107.008
flat angles C4'-P-C4' energy: -93.474
flat angles P-C4'-P energy: -56.059
tors. eta vs tors. theta energy: -35.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -544.344712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.344712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.344712 (E_RNA)
where:
Base-Base interactions energy: -213.517
where: short stacking energy: -149.655
Base-Backbone interact. energy: -4.029
local terms energy: -326.798310
where:
bonds (distance) C4'-P energy: -99.284
bonds (distance) P-C4' energy: -111.111
flat angles C4'-P-C4' energy: -77.618
flat angles P-C4'-P energy: -59.775
tors. eta vs tors. theta energy: 20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2127.997528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.997528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.997528 (E_RNA)
where:
Base-Base interactions energy: -1453.169
where: short stacking energy: -641.953
Base-Backbone interact. energy: -0.169
local terms energy: -674.658720
where:
bonds (distance) C4'-P energy: -120.628
bonds (distance) P-C4' energy: -129.888
flat angles C4'-P-C4' energy: -146.910
flat angles P-C4'-P energy: -94.452
tors. eta vs tors. theta energy: -182.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2074.961806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.961806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.961806 (E_RNA)
where:
Base-Base interactions energy: -1404.234
where: short stacking energy: -630.196
Base-Backbone interact. energy: 0.630
local terms energy: -671.358084
where:
bonds (distance) C4'-P energy: -125.071
bonds (distance) P-C4' energy: -119.947
flat angles C4'-P-C4' energy: -138.501
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -198.500
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2034.327610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.327610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.327610 (E_RNA)
where:
Base-Base interactions energy: -1404.448
where: short stacking energy: -581.598
Base-Backbone interact. energy: -1.546
local terms energy: -628.333714
where:
bonds (distance) C4'-P energy: -123.911
bonds (distance) P-C4' energy: -124.982
flat angles C4'-P-C4' energy: -132.982
flat angles P-C4'-P energy: -83.258
tors. eta vs tors. theta energy: -163.201
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: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1904.432754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.432754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.432754 (E_RNA)
where:
Base-Base interactions energy: -1298.453
where: short stacking energy: -552.561
Base-Backbone interact. energy: -3.639
local terms energy: -602.340013
where:
bonds (distance) C4'-P energy: -106.841
bonds (distance) P-C4' energy: -110.716
flat angles C4'-P-C4' energy: -134.119
flat angles P-C4'-P energy: -89.331
tors. eta vs tors. theta energy: -161.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1652.227522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.227522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.227522 (E_RNA)
where:
Base-Base interactions energy: -1097.175
where: short stacking energy: -479.342
Base-Backbone interact. energy: -2.682
local terms energy: -552.370555
where:
bonds (distance) C4'-P energy: -118.379
bonds (distance) P-C4' energy: -111.948
flat angles C4'-P-C4' energy: -121.839
flat angles P-C4'-P energy: -85.230
tors. eta vs tors. theta energy: -114.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1511.201569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.201569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.201569 (E_RNA)
where:
Base-Base interactions energy: -977.265
where: short stacking energy: -432.964
Base-Backbone interact. energy: -2.567
local terms energy: -531.369801
where:
bonds (distance) C4'-P energy: -98.463
bonds (distance) P-C4' energy: -107.238
flat angles C4'-P-C4' energy: -124.177
flat angles P-C4'-P energy: -88.497
tors. eta vs tors. theta energy: -112.995
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1220.881547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.881547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.881547 (E_RNA)
where:
Base-Base interactions energy: -754.157
where: short stacking energy: -358.550
Base-Backbone interact. energy: -1.685
local terms energy: -465.040239
where:
bonds (distance) C4'-P energy: -85.373
bonds (distance) P-C4' energy: -126.282
flat angles C4'-P-C4' energy: -106.346
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -69.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -947.190199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.190199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.190199 (E_RNA)
where:
Base-Base interactions energy: -525.200
where: short stacking energy: -306.515
Base-Backbone interact. energy: 0.849
local terms energy: -422.839265
where:
bonds (distance) C4'-P energy: -101.218
bonds (distance) P-C4' energy: -107.563
flat angles C4'-P-C4' energy: -96.394
flat angles P-C4'-P energy: -67.434
tors. eta vs tors. theta energy: -50.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -733.668939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.668939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.668939 (E_RNA)
where:
Base-Base interactions energy: -370.216
where: short stacking energy: -219.806
Base-Backbone interact. energy: -1.302
local terms energy: -362.151104
where:
bonds (distance) C4'-P energy: -91.042
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -95.772
flat angles P-C4'-P energy: -60.796
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -556.499783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.499783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.499783 (E_RNA)
where:
Base-Base interactions energy: -229.754
where: short stacking energy: -144.249
Base-Backbone interact. energy: 0.396
local terms energy: -327.141003
where:
bonds (distance) C4'-P energy: -114.678
bonds (distance) P-C4' energy: -113.938
flat angles C4'-P-C4' energy: -79.549
flat angles P-C4'-P energy: -51.990
tors. eta vs tors. theta energy: 33.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2108.117359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.117359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.117359 (E_RNA)
where:
Base-Base interactions energy: -1403.443
where: short stacking energy: -607.779
Base-Backbone interact. energy: -2.593
local terms energy: -702.080879
where:
bonds (distance) C4'-P energy: -124.792
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -147.577
flat angles P-C4'-P energy: -99.840
tors. eta vs tors. theta energy: -191.121
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: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2078.369774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.369774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.369774 (E_RNA)
where:
Base-Base interactions energy: -1423.336
where: short stacking energy: -613.254
Base-Backbone interact. energy: 1.142
local terms energy: -656.176007
where:
bonds (distance) C4'-P energy: -117.037
bonds (distance) P-C4' energy: -127.805
flat angles C4'-P-C4' energy: -138.386
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -178.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2042.754393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.754393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.754393 (E_RNA)
where:
Base-Base interactions energy: -1408.484
where: short stacking energy: -587.772
Base-Backbone interact. energy: -0.072
local terms energy: -634.198320
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -111.123
flat angles C4'-P-C4' energy: -142.547
flat angles P-C4'-P energy: -89.825
tors. eta vs tors. theta energy: -179.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1932.591500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.591500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.591500 (E_RNA)
where:
Base-Base interactions energy: -1329.720
where: short stacking energy: -569.071
Base-Backbone interact. energy: -5.195
local terms energy: -597.676585
where:
bonds (distance) C4'-P energy: -106.715
bonds (distance) P-C4' energy: -111.458
flat angles C4'-P-C4' energy: -132.490
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -160.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1632.248731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.248731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.248731 (E_RNA)
where:
Base-Base interactions energy: -1062.479
where: short stacking energy: -494.286
Base-Backbone interact. energy: -1.919
local terms energy: -567.851260
where:
bonds (distance) C4'-P energy: -106.597
bonds (distance) P-C4' energy: -125.075
flat angles C4'-P-C4' energy: -117.449
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -143.836
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: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1502.972387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.972387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.972387 (E_RNA)
where:
Base-Base interactions energy: -963.846
where: short stacking energy: -462.023
Base-Backbone interact. energy: -2.247
local terms energy: -536.880037
where:
bonds (distance) C4'-P energy: -111.885
bonds (distance) P-C4' energy: -112.247
flat angles C4'-P-C4' energy: -113.481
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -127.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1145.664423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.664423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.664423 (E_RNA)
where:
Base-Base interactions energy: -697.708
where: short stacking energy: -374.855
Base-Backbone interact. energy: -1.025
local terms energy: -446.931388
where:
bonds (distance) C4'-P energy: -84.003
bonds (distance) P-C4' energy: -118.539
flat angles C4'-P-C4' energy: -112.968
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -72.324
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: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -966.867320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.867320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.867320 (E_RNA)
where:
Base-Base interactions energy: -565.441
where: short stacking energy: -285.628
Base-Backbone interact. energy: -0.233
local terms energy: -401.193216
where:
bonds (distance) C4'-P energy: -99.967
bonds (distance) P-C4' energy: -86.918
flat angles C4'-P-C4' energy: -107.740
flat angles P-C4'-P energy: -63.331
tors. eta vs tors. theta energy: -43.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -756.407997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.407997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.407997 (E_RNA)
where:
Base-Base interactions energy: -369.842
where: short stacking energy: -224.499
Base-Backbone interact. energy: 3.412
local terms energy: -389.977569
where:
bonds (distance) C4'-P energy: -116.039
bonds (distance) P-C4' energy: -103.571
flat angles C4'-P-C4' energy: -95.573
flat angles P-C4'-P energy: -69.624
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -585.561696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.561696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.561696 (E_RNA)
where:
Base-Base interactions energy: -266.300
where: short stacking energy: -173.748
Base-Backbone interact. energy: 3.083
local terms energy: -322.344905
where:
bonds (distance) C4'-P energy: -95.534
bonds (distance) P-C4' energy: -92.261
flat angles C4'-P-C4' energy: -100.511
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: 5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2133.545953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.545953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.545953 (E_RNA)
where:
Base-Base interactions energy: -1432.762
where: short stacking energy: -624.759
Base-Backbone interact. energy: 0.007
local terms energy: -700.791138
where:
bonds (distance) C4'-P energy: -123.761
bonds (distance) P-C4' energy: -129.659
flat angles C4'-P-C4' energy: -151.801
flat angles P-C4'-P energy: -99.815
tors. eta vs tors. theta energy: -195.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2089.959124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.959124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.959124 (E_RNA)
where:
Base-Base interactions energy: -1434.652
where: short stacking energy: -606.402
Base-Backbone interact. energy: -1.960
local terms energy: -653.346877
where:
bonds (distance) C4'-P energy: -132.673
bonds (distance) P-C4' energy: -123.123
flat angles C4'-P-C4' energy: -134.357
flat angles P-C4'-P energy: -93.248
tors. eta vs tors. theta energy: -169.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2009.357036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.357036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.357036 (E_RNA)
where:
Base-Base interactions energy: -1383.843
where: short stacking energy: -579.776
Base-Backbone interact. energy: -3.533
local terms energy: -621.980671
where:
bonds (distance) C4'-P energy: -117.062
bonds (distance) P-C4' energy: -121.692
flat angles C4'-P-C4' energy: -125.373
flat angles P-C4'-P energy: -93.204
tors. eta vs tors. theta energy: -164.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1900.192843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.192843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.192843 (E_RNA)
where:
Base-Base interactions energy: -1321.561
where: short stacking energy: -579.076
Base-Backbone interact. energy: -3.443
local terms energy: -575.189621
where:
bonds (distance) C4'-P energy: -101.250
bonds (distance) P-C4' energy: -112.255
flat angles C4'-P-C4' energy: -137.160
flat angles P-C4'-P energy: -66.485
tors. eta vs tors. theta energy: -158.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1603.870938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.870938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.870938 (E_RNA)
where:
Base-Base interactions energy: -1027.559
where: short stacking energy: -448.612
Base-Backbone interact. energy: -1.749
local terms energy: -574.562807
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -140.751
flat angles C4'-P-C4' energy: -132.508
flat angles P-C4'-P energy: -57.749
tors. eta vs tors. theta energy: -123.384
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1460.600787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.600787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.600787 (E_RNA)
where:
Base-Base interactions energy: -956.302
where: short stacking energy: -431.796
Base-Backbone interact. energy: 0.367
local terms energy: -504.665453
where:
bonds (distance) C4'-P energy: -103.349
bonds (distance) P-C4' energy: -109.629
flat angles C4'-P-C4' energy: -110.433
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -92.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1185.438244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.438244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.438244 (E_RNA)
where:
Base-Base interactions energy: -738.385
where: short stacking energy: -355.662
Base-Backbone interact. energy: -1.430
local terms energy: -445.622652
where:
bonds (distance) C4'-P energy: -99.539
bonds (distance) P-C4' energy: -116.022
flat angles C4'-P-C4' energy: -105.345
flat angles P-C4'-P energy: -59.147
tors. eta vs tors. theta energy: -65.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1010.057378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.057378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.057378 (E_RNA)
where:
Base-Base interactions energy: -587.858
where: short stacking energy: -305.913
Base-Backbone interact. energy: 1.835
local terms energy: -424.034054
where:
bonds (distance) C4'-P energy: -103.022
bonds (distance) P-C4' energy: -120.643
flat angles C4'-P-C4' energy: -100.385
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -747.054068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.054068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.054068 (E_RNA)
where:
Base-Base interactions energy: -389.738
where: short stacking energy: -202.786
Base-Backbone interact. energy: -3.785
local terms energy: -353.530891
where:
bonds (distance) C4'-P energy: -103.957
bonds (distance) P-C4' energy: -108.070
flat angles C4'-P-C4' energy: -105.105
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -569.808833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.808833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.808833 (E_RNA)
where:
Base-Base interactions energy: -258.622
where: short stacking energy: -185.126
Base-Backbone interact. energy: 1.838
local terms energy: -313.023927
where:
bonds (distance) C4'-P energy: -86.916
bonds (distance) P-C4' energy: -108.252
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: 12.730
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: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2114.637966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.637966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.637966 (E_RNA)
where:
Base-Base interactions energy: -1406.167
where: short stacking energy: -649.547
Base-Backbone interact. energy: -0.244
local terms energy: -708.227248
where:
bonds (distance) C4'-P energy: -133.892
bonds (distance) P-C4' energy: -137.809
flat angles C4'-P-C4' energy: -139.945
flat angles P-C4'-P energy: -96.414
tors. eta vs tors. theta energy: -200.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2082.332332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.332332 (E_RNA)
where:
Base-Base interactions energy: -1458.940
where: short stacking energy: -605.072
Base-Backbone interact. energy: -5.061
local terms energy: -618.331872
where:
bonds (distance) C4'-P energy: -112.740
bonds (distance) P-C4' energy: -121.853
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -170.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2037.629757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.629757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.629757 (E_RNA)
where:
Base-Base interactions energy: -1375.424
where: short stacking energy: -594.948
Base-Backbone interact. energy: -6.224
local terms energy: -655.982214
where:
bonds (distance) C4'-P energy: -119.988
bonds (distance) P-C4' energy: -127.902
flat angles C4'-P-C4' energy: -141.345
flat angles P-C4'-P energy: -86.855
tors. eta vs tors. theta energy: -179.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1950.368360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.368360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.368360 (E_RNA)
where:
Base-Base interactions energy: -1328.375
where: short stacking energy: -574.137
Base-Backbone interact. energy: 2.714
local terms energy: -624.707302
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -127.635
flat angles C4'-P-C4' energy: -132.531
flat angles P-C4'-P energy: -93.554
tors. eta vs tors. theta energy: -159.217
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: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1622.677076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.677076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.677076 (E_RNA)
where:
Base-Base interactions energy: -1052.216
where: short stacking energy: -486.076
Base-Backbone interact. energy: -2.962
local terms energy: -567.499829
where:
bonds (distance) C4'-P energy: -126.564
bonds (distance) P-C4' energy: -113.487
flat angles C4'-P-C4' energy: -123.220
flat angles P-C4'-P energy: -75.848
tors. eta vs tors. theta energy: -128.380
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: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1495.000297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.000297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.000297 (E_RNA)
where:
Base-Base interactions energy: -1000.802
where: short stacking energy: -442.625
Base-Backbone interact. energy: -2.055
local terms energy: -492.143335
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -112.271
flat angles C4'-P-C4' energy: -117.803
flat angles P-C4'-P energy: -79.916
tors. eta vs tors. theta energy: -94.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1183.178368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.178368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.178368 (E_RNA)
where:
Base-Base interactions energy: -722.543
where: short stacking energy: -351.025
Base-Backbone interact. energy: 7.560
local terms energy: -468.195713
where:
bonds (distance) C4'-P energy: -100.795
bonds (distance) P-C4' energy: -100.700
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -69.623
tors. eta vs tors. theta energy: -78.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -994.264149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.264149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.264149 (E_RNA)
where:
Base-Base interactions energy: -579.637
where: short stacking energy: -274.374
Base-Backbone interact. energy: 0.685
local terms energy: -415.311597
where:
bonds (distance) C4'-P energy: -101.046
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -103.415
flat angles P-C4'-P energy: -60.251
tors. eta vs tors. theta energy: -44.223
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: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -740.128157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.128157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.128157 (E_RNA)
where:
Base-Base interactions energy: -359.948
where: short stacking energy: -222.795
Base-Backbone interact. energy: -3.843
local terms energy: -376.336919
where:
bonds (distance) C4'-P energy: -102.947
bonds (distance) P-C4' energy: -116.516
flat angles C4'-P-C4' energy: -94.944
flat angles P-C4'-P energy: -53.956
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -606.757191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.757191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.757191 (E_RNA)
where:
Base-Base interactions energy: -283.719
where: short stacking energy: -166.873
Base-Backbone interact. energy: 6.181
local terms energy: -329.219157
where:
bonds (distance) C4'-P energy: -115.510
bonds (distance) P-C4' energy: -103.153
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -58.385
tors. eta vs tors. theta energy: 17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2124.425984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.425984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.425984 (E_RNA)
where:
Base-Base interactions energy: -1440.376
where: short stacking energy: -626.515
Base-Backbone interact. energy: -2.482
local terms energy: -681.568451
where:
bonds (distance) C4'-P energy: -118.963
bonds (distance) P-C4' energy: -125.675
flat angles C4'-P-C4' energy: -141.044
flat angles P-C4'-P energy: -102.414
tors. eta vs tors. theta energy: -193.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2075.133054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.133054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.133054 (E_RNA)
where:
Base-Base interactions energy: -1445.819
where: short stacking energy: -622.550
Base-Backbone interact. energy: -3.417
local terms energy: -625.896806
where:
bonds (distance) C4'-P energy: -130.232
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -139.327
flat angles P-C4'-P energy: -79.008
tors. eta vs tors. theta energy: -167.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2014.288820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.288820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.288820 (E_RNA)
where:
Base-Base interactions energy: -1386.831
where: short stacking energy: -618.055
Base-Backbone interact. energy: 0.518
local terms energy: -627.976170
where:
bonds (distance) C4'-P energy: -117.111
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -136.095
flat angles P-C4'-P energy: -84.289
tors. eta vs tors. theta energy: -173.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1935.049692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.049692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.049692 (E_RNA)
where:
Base-Base interactions energy: -1328.612
where: short stacking energy: -568.257
Base-Backbone interact. energy: -5.197
local terms energy: -601.240587
where:
bonds (distance) C4'-P energy: -116.822
bonds (distance) P-C4' energy: -112.570
flat angles C4'-P-C4' energy: -126.987
flat angles P-C4'-P energy: -86.940
tors. eta vs tors. theta energy: -157.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1658.084160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.084160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.084160 (E_RNA)
where:
Base-Base interactions energy: -1089.998
where: short stacking energy: -478.800
Base-Backbone interact. energy: 1.042
local terms energy: -569.128235
where:
bonds (distance) C4'-P energy: -107.390
bonds (distance) P-C4' energy: -97.947
flat angles C4'-P-C4' energy: -127.722
flat angles P-C4'-P energy: -90.886
tors. eta vs tors. theta energy: -145.184
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: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1484.098677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.098677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.098677 (E_RNA)
where:
Base-Base interactions energy: -995.383
where: short stacking energy: -450.951
Base-Backbone interact. energy: 0.584
local terms energy: -489.299073
where:
bonds (distance) C4'-P energy: -87.280
bonds (distance) P-C4' energy: -112.627
flat angles C4'-P-C4' energy: -111.122
flat angles P-C4'-P energy: -62.840
tors. eta vs tors. theta energy: -115.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1135.760693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.760693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.760693 (E_RNA)
where:
Base-Base interactions energy: -659.511
where: short stacking energy: -320.005
Base-Backbone interact. energy: -0.362
local terms energy: -475.886898
where:
bonds (distance) C4'-P energy: -109.751
bonds (distance) P-C4' energy: -124.304
flat angles C4'-P-C4' energy: -106.072
flat angles P-C4'-P energy: -88.849
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1039.330314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.330314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.330314 (E_RNA)
where:
Base-Base interactions energy: -605.591
where: short stacking energy: -328.165
Base-Backbone interact. energy: -3.071
local terms energy: -430.668917
where:
bonds (distance) C4'-P energy: -117.479
bonds (distance) P-C4' energy: -107.295
flat angles C4'-P-C4' energy: -84.444
flat angles P-C4'-P energy: -57.297
tors. eta vs tors. theta energy: -64.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -752.425692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.425692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.425692 (E_RNA)
where:
Base-Base interactions energy: -423.098
where: short stacking energy: -237.786
Base-Backbone interact. energy: -1.356
local terms energy: -327.971463
where:
bonds (distance) C4'-P energy: -78.828
bonds (distance) P-C4' energy: -96.035
flat angles C4'-P-C4' energy: -77.608
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -24.203
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: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -593.767244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.767244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.767244 (E_RNA)
where:
Base-Base interactions energy: -273.519
where: short stacking energy: -177.263
Base-Backbone interact. energy: 2.119
local terms energy: -322.366660
where:
bonds (distance) C4'-P energy: -103.947
bonds (distance) P-C4' energy: -118.323
flat angles C4'-P-C4' energy: -83.250
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: 11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2160.530774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.530774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.530774 (E_RNA)
where:
Base-Base interactions energy: -1456.912
where: short stacking energy: -664.108
Base-Backbone interact. energy: 0.952
local terms energy: -704.570413
where:
bonds (distance) C4'-P energy: -115.356
bonds (distance) P-C4' energy: -134.513
flat angles C4'-P-C4' energy: -145.303
flat angles P-C4'-P energy: -104.339
tors. eta vs tors. theta energy: -205.059
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: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2075.165720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.165720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.165720 (E_RNA)
where:
Base-Base interactions energy: -1408.120
where: short stacking energy: -602.909
Base-Backbone interact. energy: -4.660
local terms energy: -662.386307
where:
bonds (distance) C4'-P energy: -127.497
bonds (distance) P-C4' energy: -130.715
flat angles C4'-P-C4' energy: -140.013
flat angles P-C4'-P energy: -95.857
tors. eta vs tors. theta energy: -168.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2002.272242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.272242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.272242 (E_RNA)
where:
Base-Base interactions energy: -1366.654
where: short stacking energy: -580.088
Base-Backbone interact. energy: -4.136
local terms energy: -631.481461
where:
bonds (distance) C4'-P energy: -107.058
bonds (distance) P-C4' energy: -130.851
flat angles C4'-P-C4' energy: -136.728
flat angles P-C4'-P energy: -81.291
tors. eta vs tors. theta energy: -175.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1905.398739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.398739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.398739 (E_RNA)
where:
Base-Base interactions energy: -1339.162
where: short stacking energy: -558.562
Base-Backbone interact. energy: -3.235
local terms energy: -563.001658
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -123.653
flat angles C4'-P-C4' energy: -132.380
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -147.259
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: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1646.493442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.493442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.493442 (E_RNA)
where:
Base-Base interactions energy: -1095.960
where: short stacking energy: -482.320
Base-Backbone interact. energy: -2.956
local terms energy: -547.576692
where:
bonds (distance) C4'-P energy: -110.199
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -106.282
flat angles P-C4'-P energy: -78.027
tors. eta vs tors. theta energy: -147.281
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1479.587772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.587772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.587772 (E_RNA)
where:
Base-Base interactions energy: -965.227
where: short stacking energy: -444.049
Base-Backbone interact. energy: -3.038
local terms energy: -511.322326
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -109.491
flat angles C4'-P-C4' energy: -120.960
flat angles P-C4'-P energy: -74.221
tors. eta vs tors. theta energy: -112.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1188.675609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.675609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.675609 (E_RNA)
where:
Base-Base interactions energy: -745.414
where: short stacking energy: -349.759
Base-Backbone interact. energy: 0.149
local terms energy: -443.410480
where:
bonds (distance) C4'-P energy: -111.521
bonds (distance) P-C4' energy: -104.248
flat angles C4'-P-C4' energy: -106.627
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -77.178
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: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -987.977487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.977487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.977487 (E_RNA)
where:
Base-Base interactions energy: -594.564
where: short stacking energy: -278.231
Base-Backbone interact. energy: -1.527
local terms energy: -391.887237
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -119.031
flat angles C4'-P-C4' energy: -97.214
flat angles P-C4'-P energy: -57.274
tors. eta vs tors. theta energy: -26.945
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: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -817.432699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.432699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.432699 (E_RNA)
where:
Base-Base interactions energy: -434.157
where: short stacking energy: -250.767
Base-Backbone interact. energy: -1.178
local terms energy: -382.098533
where:
bonds (distance) C4'-P energy: -109.517
bonds (distance) P-C4' energy: -93.453
flat angles C4'-P-C4' energy: -104.362
flat angles P-C4'-P energy: -59.261
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -581.781054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.781054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.781054 (E_RNA)
where:
Base-Base interactions energy: -257.454
where: short stacking energy: -168.163
Base-Backbone interact. energy: 1.213
local terms energy: -325.540063
where:
bonds (distance) C4'-P energy: -106.826
bonds (distance) P-C4' energy: -106.178
flat angles C4'-P-C4' energy: -92.701
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: 22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2145.548018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.548018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.548018 (E_RNA)
where:
Base-Base interactions energy: -1450.886
where: short stacking energy: -645.613
Base-Backbone interact. energy: -2.991
local terms energy: -691.670789
where:
bonds (distance) C4'-P energy: -135.536
bonds (distance) P-C4' energy: -113.187
flat angles C4'-P-C4' energy: -140.196
flat angles P-C4'-P energy: -105.973
tors. eta vs tors. theta energy: -196.778
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: 275
Temperature: 0.950000
Total energy: -2046.105114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.105114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.105114 (E_RNA)
where:
Base-Base interactions energy: -1417.502
where: short stacking energy: -609.446
Base-Backbone interact. energy: -2.348
local terms energy: -626.255376
where:
bonds (distance) C4'-P energy: -122.733
bonds (distance) P-C4' energy: -125.438
flat angles C4'-P-C4' energy: -131.183
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -164.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1975.888789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.888789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.888789 (E_RNA)
where:
Base-Base interactions energy: -1363.929
where: short stacking energy: -578.649
Base-Backbone interact. energy: -1.778
local terms energy: -610.182518
where:
bonds (distance) C4'-P energy: -112.819
bonds (distance) P-C4' energy: -109.776
flat angles C4'-P-C4' energy: -130.605
flat angles P-C4'-P energy: -88.436
tors. eta vs tors. theta energy: -168.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1939.972247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.972247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.972247 (E_RNA)
where:
Base-Base interactions energy: -1324.858
where: short stacking energy: -540.423
Base-Backbone interact. energy: -7.013
local terms energy: -608.101272
where:
bonds (distance) C4'-P energy: -123.217
bonds (distance) P-C4' energy: -108.882
flat angles C4'-P-C4' energy: -128.403
flat angles P-C4'-P energy: -80.831
tors. eta vs tors. theta energy: -166.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1626.995041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.995041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.995041 (E_RNA)
where:
Base-Base interactions energy: -1077.897
where: short stacking energy: -471.275
Base-Backbone interact. energy: 0.876
local terms energy: -549.974141
where:
bonds (distance) C4'-P energy: -101.314
bonds (distance) P-C4' energy: -131.090
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -72.128
tors. eta vs tors. theta energy: -128.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1467.111621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.111621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.111621 (E_RNA)
where:
Base-Base interactions energy: -946.882
where: short stacking energy: -440.713
Base-Backbone interact. energy: -0.911
local terms energy: -519.318541
where:
bonds (distance) C4'-P energy: -104.261
bonds (distance) P-C4' energy: -117.174
flat angles C4'-P-C4' energy: -120.147
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -108.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1212.373928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.373928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.373928 (E_RNA)
where:
Base-Base interactions energy: -730.133
where: short stacking energy: -339.546
Base-Backbone interact. energy: 8.630
local terms energy: -490.871013
where:
bonds (distance) C4'-P energy: -111.157
bonds (distance) P-C4' energy: -123.332
flat angles C4'-P-C4' energy: -110.425
flat angles P-C4'-P energy: -68.863
tors. eta vs tors. theta energy: -77.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1066.917568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.917568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.917568 (E_RNA)
where:
Base-Base interactions energy: -616.220
where: short stacking energy: -304.544
Base-Backbone interact. energy: -1.744
local terms energy: -448.952641
where:
bonds (distance) C4'-P energy: -108.638
bonds (distance) P-C4' energy: -105.860
flat angles C4'-P-C4' energy: -104.816
flat angles P-C4'-P energy: -77.804
tors. eta vs tors. theta energy: -51.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -775.504653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.504653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.504653 (E_RNA)
where:
Base-Base interactions energy: -402.414
where: short stacking energy: -204.196
Base-Backbone interact. energy: -3.567
local terms energy: -369.523666
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -95.093
flat angles C4'-P-C4' energy: -92.380
flat angles P-C4'-P energy: -59.434
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -542.316355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.316355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.316355 (E_RNA)
where:
Base-Base interactions energy: -210.290
where: short stacking energy: -154.561
Base-Backbone interact. energy: -3.487
local terms energy: -328.539863
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -118.507
flat angles C4'-P-C4' energy: -86.281
flat angles P-C4'-P energy: -47.771
tors. eta vs tors. theta energy: 28.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2131.336235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.336235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.336235 (E_RNA)
where:
Base-Base interactions energy: -1438.132
where: short stacking energy: -650.053
Base-Backbone interact. energy: -0.553
local terms energy: -692.651630
where:
bonds (distance) C4'-P energy: -133.075
bonds (distance) P-C4' energy: -126.896
flat angles C4'-P-C4' energy: -152.731
flat angles P-C4'-P energy: -77.923
tors. eta vs tors. theta energy: -202.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2064.979594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.979594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.979594 (E_RNA)
where:
Base-Base interactions energy: -1433.180
where: short stacking energy: -593.152
Base-Backbone interact. energy: -5.573
local terms energy: -626.227190
where:
bonds (distance) C4'-P energy: -131.461
bonds (distance) P-C4' energy: -121.439
flat angles C4'-P-C4' energy: -136.373
flat angles P-C4'-P energy: -78.901
tors. eta vs tors. theta energy: -158.053
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1988.197298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.197298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.197298 (E_RNA)
where:
Base-Base interactions energy: -1384.990
where: short stacking energy: -588.363
Base-Backbone interact. energy: -3.488
local terms energy: -599.719286
where:
bonds (distance) C4'-P energy: -110.717
bonds (distance) P-C4' energy: -106.913
flat angles C4'-P-C4' energy: -139.259
flat angles P-C4'-P energy: -90.298
tors. eta vs tors. theta energy: -152.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1918.264849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.264849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.264849 (E_RNA)
where:
Base-Base interactions energy: -1297.730
where: short stacking energy: -563.989
Base-Backbone interact. energy: -5.300
local terms energy: -615.234196
where:
bonds (distance) C4'-P energy: -115.764
bonds (distance) P-C4' energy: -117.292
flat angles C4'-P-C4' energy: -134.274
flat angles P-C4'-P energy: -81.925
tors. eta vs tors. theta energy: -165.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1656.952039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.952039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.952039 (E_RNA)
where:
Base-Base interactions energy: -1070.437
where: short stacking energy: -520.093
Base-Backbone interact. energy: 0.398
local terms energy: -586.913531
where:
bonds (distance) C4'-P energy: -105.448
bonds (distance) P-C4' energy: -125.096
flat angles C4'-P-C4' energy: -130.218
flat angles P-C4'-P energy: -81.457
tors. eta vs tors. theta energy: -144.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1507.570509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.570509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.570509 (E_RNA)
where:
Base-Base interactions energy: -1002.564
where: short stacking energy: -439.309
Base-Backbone interact. energy: 1.466
local terms energy: -506.472562
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -119.710
flat angles C4'-P-C4' energy: -124.808
flat angles P-C4'-P energy: -59.539
tors. eta vs tors. theta energy: -102.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1209.711352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.711352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.711352 (E_RNA)
where:
Base-Base interactions energy: -747.045
where: short stacking energy: -374.421
Base-Backbone interact. energy: 0.457
local terms energy: -463.123438
where:
bonds (distance) C4'-P energy: -96.502
bonds (distance) P-C4' energy: -115.528
flat angles C4'-P-C4' energy: -111.681
flat angles P-C4'-P energy: -62.813
tors. eta vs tors. theta energy: -76.600
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: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1045.006028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.006028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.006028 (E_RNA)
where:
Base-Base interactions energy: -597.625
where: short stacking energy: -313.980
Base-Backbone interact. energy: -2.670
local terms energy: -444.711110
where:
bonds (distance) C4'-P energy: -93.952
bonds (distance) P-C4' energy: -110.954
flat angles C4'-P-C4' energy: -124.050
flat angles P-C4'-P energy: -63.198
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -799.295768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.295768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.295768 (E_RNA)
where:
Base-Base interactions energy: -398.998
where: short stacking energy: -226.654
Base-Backbone interact. energy: -0.877
local terms energy: -399.420227
where:
bonds (distance) C4'-P energy: -96.158
bonds (distance) P-C4' energy: -127.893
flat angles C4'-P-C4' energy: -109.706
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -607.120328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.120328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.120328 (E_RNA)
where:
Base-Base interactions energy: -267.067
where: short stacking energy: -157.463
Base-Backbone interact. energy: 3.376
local terms energy: -343.429769
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -111.112
flat angles C4'-P-C4' energy: -110.993
flat angles P-C4'-P energy: -40.479
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2159.674415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.674415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.674415 (E_RNA)
where:
Base-Base interactions energy: -1469.602
where: short stacking energy: -669.879
Base-Backbone interact. energy: -3.992
local terms energy: -686.080351
where:
bonds (distance) C4'-P energy: -109.315
bonds (distance) P-C4' energy: -131.772
flat angles C4'-P-C4' energy: -146.822
flat angles P-C4'-P energy: -98.601
tors. eta vs tors. theta energy: -199.571
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2064.285284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.285284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.285284 (E_RNA)
where:
Base-Base interactions energy: -1436.813
where: short stacking energy: -613.343
Base-Backbone interact. energy: -0.551
local terms energy: -626.921544
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -117.284
flat angles C4'-P-C4' energy: -142.281
flat angles P-C4'-P energy: -84.849
tors. eta vs tors. theta energy: -163.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1983.878454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.878454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.878454 (E_RNA)
where:
Base-Base interactions energy: -1341.004
where: short stacking energy: -566.134
Base-Backbone interact. energy: -2.648
local terms energy: -640.226697
where:
bonds (distance) C4'-P energy: -122.334
bonds (distance) P-C4' energy: -132.613
flat angles C4'-P-C4' energy: -139.000
flat angles P-C4'-P energy: -81.279
tors. eta vs tors. theta energy: -165.000
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: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1909.462738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.462738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.462738 (E_RNA)
where:
Base-Base interactions energy: -1290.908
where: short stacking energy: -534.288
Base-Backbone interact. energy: -2.611
local terms energy: -615.943737
where:
bonds (distance) C4'-P energy: -119.346
bonds (distance) P-C4' energy: -119.563
flat angles C4'-P-C4' energy: -130.493
flat angles P-C4'-P energy: -81.991
tors. eta vs tors. theta energy: -164.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1548.047491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.047491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.047491 (E_RNA)
where:
Base-Base interactions energy: -997.265
where: short stacking energy: -505.412
Base-Backbone interact. energy: 2.650
local terms energy: -553.432883
where:
bonds (distance) C4'-P energy: -103.643
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -79.436
tors. eta vs tors. theta energy: -135.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1489.669520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.669520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.669520 (E_RNA)
where:
Base-Base interactions energy: -977.972
where: short stacking energy: -449.436
Base-Backbone interact. energy: 1.127
local terms energy: -512.824148
where:
bonds (distance) C4'-P energy: -102.939
bonds (distance) P-C4' energy: -103.220
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -88.296
tors. eta vs tors. theta energy: -108.791
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1210.612696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.612696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.612696 (E_RNA)
where:
Base-Base interactions energy: -752.729
where: short stacking energy: -342.533
Base-Backbone interact. energy: -1.262
local terms energy: -456.621347
where:
bonds (distance) C4'-P energy: -96.216
bonds (distance) P-C4' energy: -119.009
flat angles C4'-P-C4' energy: -102.473
flat angles P-C4'-P energy: -75.745
tors. eta vs tors. theta energy: -63.178
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: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1098.824846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.824846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.824846 (E_RNA)
where:
Base-Base interactions energy: -674.292
where: short stacking energy: -297.427
Base-Backbone interact. energy: 3.759
local terms energy: -428.291679
where:
bonds (distance) C4'-P energy: -92.232
bonds (distance) P-C4' energy: -119.646
flat angles C4'-P-C4' energy: -108.158
flat angles P-C4'-P energy: -54.567
tors. eta vs tors. theta energy: -53.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -674.264366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.264366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.264366 (E_RNA)
where:
Base-Base interactions energy: -333.639
where: short stacking energy: -218.272
Base-Backbone interact. energy: 3.830
local terms energy: -344.455262
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -101.380
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -545.752309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.752309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.752309 (E_RNA)
where:
Base-Base interactions energy: -213.938
where: short stacking energy: -133.919
Base-Backbone interact. energy: -0.042
local terms energy: -331.772379
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -99.773
flat angles P-C4'-P energy: -47.455
tors. eta vs tors. theta energy: 38.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2162.567269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.567269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.567269 (E_RNA)
where:
Base-Base interactions energy: -1483.601
where: short stacking energy: -661.574
Base-Backbone interact. energy: 1.780
local terms energy: -680.746279
where:
bonds (distance) C4'-P energy: -123.590
bonds (distance) P-C4' energy: -130.039
flat angles C4'-P-C4' energy: -145.268
flat angles P-C4'-P energy: -91.270
tors. eta vs tors. theta energy: -190.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2047.938933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.938933 (E_RNA)
where:
Base-Base interactions energy: -1408.063
where: short stacking energy: -599.804
Base-Backbone interact. energy: -3.149
local terms energy: -636.727398
where:
bonds (distance) C4'-P energy: -133.832
bonds (distance) P-C4' energy: -128.298
flat angles C4'-P-C4' energy: -130.656
flat angles P-C4'-P energy: -92.422
tors. eta vs tors. theta energy: -151.521
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: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2028.836227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.836227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.836227 (E_RNA)
where:
Base-Base interactions energy: -1398.017
where: short stacking energy: -614.014
Base-Backbone interact. energy: -4.200
local terms energy: -626.619593
where:
bonds (distance) C4'-P energy: -117.568
bonds (distance) P-C4' energy: -116.600
flat angles C4'-P-C4' energy: -142.844
flat angles P-C4'-P energy: -82.284
tors. eta vs tors. theta energy: -167.323
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: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1875.586490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.586490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.586490 (E_RNA)
where:
Base-Base interactions energy: -1289.662
where: short stacking energy: -544.894
Base-Backbone interact. energy: -6.207
local terms energy: -579.716989
where:
bonds (distance) C4'-P energy: -99.877
bonds (distance) P-C4' energy: -118.283
flat angles C4'-P-C4' energy: -133.485
flat angles P-C4'-P energy: -78.351
tors. eta vs tors. theta energy: -149.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1574.054149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.054149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.054149 (E_RNA)
where:
Base-Base interactions energy: -1025.904
where: short stacking energy: -489.606
Base-Backbone interact. energy: -0.268
local terms energy: -547.881928
where:
bonds (distance) C4'-P energy: -93.472
bonds (distance) P-C4' energy: -109.817
flat angles C4'-P-C4' energy: -131.253
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -133.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1453.460582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.460582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.460582 (E_RNA)
where:
Base-Base interactions energy: -891.111
where: short stacking energy: -417.507
Base-Backbone interact. energy: -2.707
local terms energy: -559.641953
where:
bonds (distance) C4'-P energy: -111.781
bonds (distance) P-C4' energy: -118.012
flat angles C4'-P-C4' energy: -123.350
flat angles P-C4'-P energy: -79.079
tors. eta vs tors. theta energy: -127.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1248.809872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.809872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.809872 (E_RNA)
where:
Base-Base interactions energy: -750.631
where: short stacking energy: -352.733
Base-Backbone interact. energy: 0.888
local terms energy: -499.066690
where:
bonds (distance) C4'-P energy: -117.250
bonds (distance) P-C4' energy: -118.303
flat angles C4'-P-C4' energy: -118.678
flat angles P-C4'-P energy: -70.031
tors. eta vs tors. theta energy: -74.804
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -999.996748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.996748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.996748 (E_RNA)
where:
Base-Base interactions energy: -594.282
where: short stacking energy: -289.060
Base-Backbone interact. energy: -0.912
local terms energy: -404.803314
where:
bonds (distance) C4'-P energy: -112.423
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -89.158
flat angles P-C4'-P energy: -65.075
tors. eta vs tors. theta energy: -45.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -620.397328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.397328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.397328 (E_RNA)
where:
Base-Base interactions energy: -259.600
where: short stacking energy: -164.525
Base-Backbone interact. energy: 0.590
local terms energy: -361.388108
where:
bonds (distance) C4'-P energy: -100.573
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -88.774
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -619.784349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.784349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.784349 (E_RNA)
where:
Base-Base interactions energy: -307.151
where: short stacking energy: -173.911
Base-Backbone interact. energy: 1.813
local terms energy: -314.446133
where:
bonds (distance) C4'-P energy: -84.658
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -82.721
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: 4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2142.572242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.572242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.572242 (E_RNA)
where:
Base-Base interactions energy: -1446.867
where: short stacking energy: -650.987
Base-Backbone interact. energy: -0.952
local terms energy: -694.752596
where:
bonds (distance) C4'-P energy: -128.861
bonds (distance) P-C4' energy: -128.351
flat angles C4'-P-C4' energy: -151.100
flat angles P-C4'-P energy: -97.493
tors. eta vs tors. theta energy: -188.948
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: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2060.094236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.094236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.094236 (E_RNA)
where:
Base-Base interactions energy: -1406.305
where: short stacking energy: -608.025
Base-Backbone interact. energy: -1.614
local terms energy: -652.175570
where:
bonds (distance) C4'-P energy: -111.558
bonds (distance) P-C4' energy: -136.274
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -91.851
tors. eta vs tors. theta energy: -171.699
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: 279
Temperature: 1.000000
Total energy: -1982.447567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.447567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.447567 (E_RNA)
where:
Base-Base interactions energy: -1389.606
where: short stacking energy: -596.869
Base-Backbone interact. energy: -6.380
local terms energy: -586.462141
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -102.260
flat angles C4'-P-C4' energy: -132.926
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -157.904
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: 279
Temperature: 1.050000
Total energy: -1851.216022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.216022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.216022 (E_RNA)
where:
Base-Base interactions energy: -1272.239
where: short stacking energy: -537.011
Base-Backbone interact. energy: -4.324
local terms energy: -574.653155
where:
bonds (distance) C4'-P energy: -107.474
bonds (distance) P-C4' energy: -105.355
flat angles C4'-P-C4' energy: -128.516
flat angles P-C4'-P energy: -76.520
tors. eta vs tors. theta energy: -156.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1610.819883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.819883 (E_RNA)
where:
Base-Base interactions energy: -1053.606
where: short stacking energy: -495.399
Base-Backbone interact. energy: -2.452
local terms energy: -554.761691
where:
bonds (distance) C4'-P energy: -121.959
bonds (distance) P-C4' energy: -110.993
flat angles C4'-P-C4' energy: -125.173
flat angles P-C4'-P energy: -68.159
tors. eta vs tors. theta energy: -128.478
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: 279
Temperature: 1.150000
Total energy: -1410.193077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.193077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.193077 (E_RNA)
where:
Base-Base interactions energy: -879.319
where: short stacking energy: -384.577
Base-Backbone interact. energy: -0.850
local terms energy: -530.024106
where:
bonds (distance) C4'-P energy: -114.605
bonds (distance) P-C4' energy: -114.309
flat angles C4'-P-C4' energy: -122.341
flat angles P-C4'-P energy: -77.356
tors. eta vs tors. theta energy: -101.412
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: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1197.118568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.118568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.118568 (E_RNA)
where:
Base-Base interactions energy: -742.337
where: short stacking energy: -334.770
Base-Backbone interact. energy: 3.204
local terms energy: -457.985323
where:
bonds (distance) C4'-P energy: -106.292
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -104.498
flat angles P-C4'-P energy: -76.697
tors. eta vs tors. theta energy: -54.550
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -948.533620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.533620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.533620 (E_RNA)
where:
Base-Base interactions energy: -512.639
where: short stacking energy: -245.350
Base-Backbone interact. energy: -1.880
local terms energy: -434.015456
where:
bonds (distance) C4'-P energy: -107.937
bonds (distance) P-C4' energy: -115.586
flat angles C4'-P-C4' energy: -116.923
flat angles P-C4'-P energy: -68.129
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -689.008772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.008772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.008772 (E_RNA)
where:
Base-Base interactions energy: -344.383
where: short stacking energy: -198.169
Base-Backbone interact. energy: 4.292
local terms energy: -348.917342
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -107.260
flat angles C4'-P-C4' energy: -95.361
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -619.403223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.403223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.403223 (E_RNA)
where:
Base-Base interactions energy: -288.716
where: short stacking energy: -208.677
Base-Backbone interact. energy: 0.775
local terms energy: -331.461656
where:
bonds (distance) C4'-P energy: -115.796
bonds (distance) P-C4' energy: -105.278
flat angles C4'-P-C4' energy: -65.085
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: 4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2143.521208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.521208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.521208 (E_RNA)
where:
Base-Base interactions energy: -1441.842
where: short stacking energy: -657.825
Base-Backbone interact. energy: -1.409
local terms energy: -700.270141
where:
bonds (distance) C4'-P energy: -126.544
bonds (distance) P-C4' energy: -129.635
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -99.620
tors. eta vs tors. theta energy: -204.390
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: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2066.594556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.594556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.594556 (E_RNA)
where:
Base-Base interactions energy: -1411.820
where: short stacking energy: -595.997
Base-Backbone interact. energy: -1.546
local terms energy: -653.229122
where:
bonds (distance) C4'-P energy: -113.628
bonds (distance) P-C4' energy: -130.912
flat angles C4'-P-C4' energy: -133.074
flat angles P-C4'-P energy: -102.386
tors. eta vs tors. theta energy: -173.230
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2009.454089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.454089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.454089 (E_RNA)
where:
Base-Base interactions energy: -1380.781
where: short stacking energy: -596.020
Base-Backbone interact. energy: -4.979
local terms energy: -623.694273
where:
bonds (distance) C4'-P energy: -122.426
bonds (distance) P-C4' energy: -104.887
flat angles C4'-P-C4' energy: -137.753
flat angles P-C4'-P energy: -96.235
tors. eta vs tors. theta energy: -162.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1906.510066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.510066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.510066 (E_RNA)
where:
Base-Base interactions energy: -1297.707
where: short stacking energy: -544.044
Base-Backbone interact. energy: -4.498
local terms energy: -604.305650
where:
bonds (distance) C4'-P energy: -118.239
bonds (distance) P-C4' energy: -124.721
flat angles C4'-P-C4' energy: -138.885
flat angles P-C4'-P energy: -68.200
tors. eta vs tors. theta energy: -154.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1540.857634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.857634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.857634 (E_RNA)
where:
Base-Base interactions energy: -1003.184
where: short stacking energy: -466.952
Base-Backbone interact. energy: -3.869
local terms energy: -533.804963
where:
bonds (distance) C4'-P energy: -110.568
bonds (distance) P-C4' energy: -119.457
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -65.605
tors. eta vs tors. theta energy: -123.822
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: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1463.029322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.029322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.029322 (E_RNA)
where:
Base-Base interactions energy: -927.182
where: short stacking energy: -438.287
Base-Backbone interact. energy: -1.976
local terms energy: -533.871354
where:
bonds (distance) C4'-P energy: -101.425
bonds (distance) P-C4' energy: -117.298
flat angles C4'-P-C4' energy: -126.089
flat angles P-C4'-P energy: -65.349
tors. eta vs tors. theta energy: -123.710
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1199.305334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.305334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.305334 (E_RNA)
where:
Base-Base interactions energy: -736.145
where: short stacking energy: -363.259
Base-Backbone interact. energy: 1.449
local terms energy: -464.609606
where:
bonds (distance) C4'-P energy: -107.055
bonds (distance) P-C4' energy: -132.686
flat angles C4'-P-C4' energy: -104.598
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -72.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1016.315864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.315864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.315864 (E_RNA)
where:
Base-Base interactions energy: -565.011
where: short stacking energy: -299.180
Base-Backbone interact. energy: -2.404
local terms energy: -448.900647
where:
bonds (distance) C4'-P energy: -118.875
bonds (distance) P-C4' energy: -111.491
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -74.341
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -682.297235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.297235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.297235 (E_RNA)
where:
Base-Base interactions energy: -309.182
where: short stacking energy: -195.814
Base-Backbone interact. energy: -1.912
local terms energy: -371.202674
where:
bonds (distance) C4'-P energy: -94.914
bonds (distance) P-C4' energy: -108.345
flat angles C4'-P-C4' energy: -109.153
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -645.396996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.396996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.396996 (E_RNA)
where:
Base-Base interactions energy: -330.787
where: short stacking energy: -190.499
Base-Backbone interact. energy: -1.108
local terms energy: -313.501683
where:
bonds (distance) C4'-P energy: -108.131
bonds (distance) P-C4' energy: -84.823
flat angles C4'-P-C4' energy: -81.775
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: 12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2159.983289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.983289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.983289 (E_RNA)
where:
Base-Base interactions energy: -1447.845
where: short stacking energy: -658.388
Base-Backbone interact. energy: -0.508
local terms energy: -711.629772
where:
bonds (distance) C4'-P energy: -130.778
bonds (distance) P-C4' energy: -123.275
flat angles C4'-P-C4' energy: -159.460
flat angles P-C4'-P energy: -93.974
tors. eta vs tors. theta energy: -204.143
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: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2059.003708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.003708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.003708 (E_RNA)
where:
Base-Base interactions energy: -1417.733
where: short stacking energy: -614.234
Base-Backbone interact. energy: 1.032
local terms energy: -642.302738
where:
bonds (distance) C4'-P energy: -108.680
bonds (distance) P-C4' energy: -125.522
flat angles C4'-P-C4' energy: -139.189
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -173.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2009.522663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.522663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.522663 (E_RNA)
where:
Base-Base interactions energy: -1387.016
where: short stacking energy: -568.301
Base-Backbone interact. energy: -4.509
local terms energy: -617.997280
where:
bonds (distance) C4'-P energy: -111.179
bonds (distance) P-C4' energy: -119.216
flat angles C4'-P-C4' energy: -132.094
flat angles P-C4'-P energy: -88.535
tors. eta vs tors. theta energy: -166.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1894.256009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.256009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.256009 (E_RNA)
where:
Base-Base interactions energy: -1294.114
where: short stacking energy: -551.809
Base-Backbone interact. energy: 2.506
local terms energy: -602.648035
where:
bonds (distance) C4'-P energy: -121.000
bonds (distance) P-C4' energy: -120.464
flat angles C4'-P-C4' energy: -123.022
flat angles P-C4'-P energy: -81.799
tors. eta vs tors. theta energy: -156.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1603.751799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.751799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.751799 (E_RNA)
where:
Base-Base interactions energy: -1064.377
where: short stacking energy: -463.157
Base-Backbone interact. energy: -2.526
local terms energy: -536.848740
where:
bonds (distance) C4'-P energy: -111.518
bonds (distance) P-C4' energy: -119.159
flat angles C4'-P-C4' energy: -126.094
flat angles P-C4'-P energy: -71.210
tors. eta vs tors. theta energy: -108.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1420.969044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.969044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.969044 (E_RNA)
where:
Base-Base interactions energy: -889.684
where: short stacking energy: -403.174
Base-Backbone interact. energy: -2.159
local terms energy: -529.126126
where:
bonds (distance) C4'-P energy: -122.211
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -115.830
flat angles P-C4'-P energy: -72.859
tors. eta vs tors. theta energy: -105.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1242.420382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.420382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.420382 (E_RNA)
where:
Base-Base interactions energy: -774.076
where: short stacking energy: -356.112
Base-Backbone interact. energy: -3.250
local terms energy: -465.094260
where:
bonds (distance) C4'-P energy: -106.877
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -116.826
flat angles P-C4'-P energy: -64.062
tors. eta vs tors. theta energy: -71.158
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: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -967.616740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.616740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.616740 (E_RNA)
where:
Base-Base interactions energy: -561.835
where: short stacking energy: -284.765
Base-Backbone interact. energy: -1.581
local terms energy: -404.200858
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -115.213
flat angles C4'-P-C4' energy: -95.453
flat angles P-C4'-P energy: -59.103
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -742.963044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.963044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.963044 (E_RNA)
where:
Base-Base interactions energy: -404.194
where: short stacking energy: -199.128
Base-Backbone interact. energy: -1.777
local terms energy: -336.992834
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -105.923
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: 3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -689.384583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.384583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.384583 (E_RNA)
where:
Base-Base interactions energy: -369.786
where: short stacking energy: -175.194
Base-Backbone interact. energy: 0.612
local terms energy: -320.210567
where:
bonds (distance) C4'-P energy: -94.164
bonds (distance) P-C4' energy: -98.145
flat angles C4'-P-C4' energy: -81.079
flat angles P-C4'-P energy: -57.277
tors. eta vs tors. theta energy: 10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2165.557484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.557484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.557484 (E_RNA)
where:
Base-Base interactions energy: -1478.016
where: short stacking energy: -666.568
Base-Backbone interact. energy: -3.725
local terms energy: -683.816286
where:
bonds (distance) C4'-P energy: -121.236
bonds (distance) P-C4' energy: -128.850
flat angles C4'-P-C4' energy: -146.882
flat angles P-C4'-P energy: -79.354
tors. eta vs tors. theta energy: -207.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2081.151849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.151849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.151849 (E_RNA)
where:
Base-Base interactions energy: -1446.172
where: short stacking energy: -574.128
Base-Backbone interact. energy: -4.026
local terms energy: -630.953115
where:
bonds (distance) C4'-P energy: -126.612
bonds (distance) P-C4' energy: -120.305
flat angles C4'-P-C4' energy: -128.528
flat angles P-C4'-P energy: -95.443
tors. eta vs tors. theta energy: -160.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2019.598450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.598450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.598450 (E_RNA)
where:
Base-Base interactions energy: -1388.832
where: short stacking energy: -576.242
Base-Backbone interact. energy: -2.998
local terms energy: -627.767658
where:
bonds (distance) C4'-P energy: -124.456
bonds (distance) P-C4' energy: -127.412
flat angles C4'-P-C4' energy: -136.881
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -160.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1874.717452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.717452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.717452 (E_RNA)
where:
Base-Base interactions energy: -1269.575
where: short stacking energy: -516.279
Base-Backbone interact. energy: -1.835
local terms energy: -603.308170
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -111.913
flat angles C4'-P-C4' energy: -136.434
flat angles P-C4'-P energy: -90.880
tors. eta vs tors. theta energy: -144.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1709.691652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.691652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.691652 (E_RNA)
where:
Base-Base interactions energy: -1147.433
where: short stacking energy: -508.607
Base-Backbone interact. energy: -2.770
local terms energy: -559.488602
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -124.534
flat angles C4'-P-C4' energy: -120.913
flat angles P-C4'-P energy: -77.434
tors. eta vs tors. theta energy: -134.911
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: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1398.928172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.928172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.928172 (E_RNA)
where:
Base-Base interactions energy: -870.819
where: short stacking energy: -401.675
Base-Backbone interact. energy: -0.500
local terms energy: -527.608401
where:
bonds (distance) C4'-P energy: -117.323
bonds (distance) P-C4' energy: -104.794
flat angles C4'-P-C4' energy: -115.266
flat angles P-C4'-P energy: -81.468
tors. eta vs tors. theta energy: -108.758
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1222.431374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.431374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.431374 (E_RNA)
where:
Base-Base interactions energy: -761.553
where: short stacking energy: -355.003
Base-Backbone interact. energy: -0.044
local terms energy: -460.835106
where:
bonds (distance) C4'-P energy: -113.617
bonds (distance) P-C4' energy: -115.072
flat angles C4'-P-C4' energy: -113.449
flat angles P-C4'-P energy: -59.305
tors. eta vs tors. theta energy: -59.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -976.606330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.606330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.606330 (E_RNA)
where:
Base-Base interactions energy: -580.371
where: short stacking energy: -306.147
Base-Backbone interact. energy: -3.405
local terms energy: -392.830454
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -97.214
flat angles C4'-P-C4' energy: -92.242
flat angles P-C4'-P energy: -52.217
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -819.190018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.190018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.190018 (E_RNA)
where:
Base-Base interactions energy: -425.411
where: short stacking energy: -241.496
Base-Backbone interact. energy: -1.547
local terms energy: -392.232145
where:
bonds (distance) C4'-P energy: -100.591
bonds (distance) P-C4' energy: -113.891
flat angles C4'-P-C4' energy: -103.294
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -23.381
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: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -725.867379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.867379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.867379 (E_RNA)
where:
Base-Base interactions energy: -323.696
where: short stacking energy: -195.643
Base-Backbone interact. energy: -1.131
local terms energy: -401.040522
where:
bonds (distance) C4'-P energy: -94.684
bonds (distance) P-C4' energy: -130.161
flat angles C4'-P-C4' energy: -87.832
flat angles P-C4'-P energy: -68.603
tors. eta vs tors. theta energy: -19.761
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: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2158.753574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.753574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.753574 (E_RNA)
where:
Base-Base interactions energy: -1476.146
where: short stacking energy: -647.475
Base-Backbone interact. energy: -4.754
local terms energy: -677.853717
where:
bonds (distance) C4'-P energy: -121.114
bonds (distance) P-C4' energy: -124.819
flat angles C4'-P-C4' energy: -144.723
flat angles P-C4'-P energy: -91.332
tors. eta vs tors. theta energy: -195.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2075.236276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.236276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.236276 (E_RNA)
where:
Base-Base interactions energy: -1436.720
where: short stacking energy: -592.119
Base-Backbone interact. energy: -4.616
local terms energy: -633.900120
where:
bonds (distance) C4'-P energy: -124.309
bonds (distance) P-C4' energy: -120.197
flat angles C4'-P-C4' energy: -130.833
flat angles P-C4'-P energy: -87.864
tors. eta vs tors. theta energy: -170.698
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: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1991.484258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.484258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.484258 (E_RNA)
where:
Base-Base interactions energy: -1369.426
where: short stacking energy: -561.925
Base-Backbone interact. energy: -2.384
local terms energy: -619.673985
where:
bonds (distance) C4'-P energy: -113.260
bonds (distance) P-C4' energy: -129.041
flat angles C4'-P-C4' energy: -126.654
flat angles P-C4'-P energy: -93.941
tors. eta vs tors. theta energy: -156.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1904.663473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.663473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.663473 (E_RNA)
where:
Base-Base interactions energy: -1289.059
where: short stacking energy: -564.697
Base-Backbone interact. energy: -2.524
local terms energy: -613.080590
where:
bonds (distance) C4'-P energy: -118.584
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -142.280
flat angles P-C4'-P energy: -86.624
tors. eta vs tors. theta energy: -143.009
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1720.616389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.616389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.616389 (E_RNA)
where:
Base-Base interactions energy: -1136.731
where: short stacking energy: -497.462
Base-Backbone interact. energy: 0.308
local terms energy: -584.193533
where:
bonds (distance) C4'-P energy: -124.099
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -132.783
flat angles P-C4'-P energy: -76.094
tors. eta vs tors. theta energy: -131.922
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: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1464.432698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.432698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.432698 (E_RNA)
where:
Base-Base interactions energy: -928.654
where: short stacking energy: -437.946
Base-Backbone interact. energy: 6.282
local terms energy: -542.060683
where:
bonds (distance) C4'-P energy: -123.910
bonds (distance) P-C4' energy: -112.556
flat angles C4'-P-C4' energy: -110.914
flat angles P-C4'-P energy: -85.243
tors. eta vs tors. theta energy: -109.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1216.351704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.351704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.351704 (E_RNA)
where:
Base-Base interactions energy: -744.369
where: short stacking energy: -373.323
Base-Backbone interact. energy: -0.791
local terms energy: -471.191841
where:
bonds (distance) C4'-P energy: -116.553
bonds (distance) P-C4' energy: -119.907
flat angles C4'-P-C4' energy: -90.105
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -71.883
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: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1015.939208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.939208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.939208 (E_RNA)
where:
Base-Base interactions energy: -593.414
where: short stacking energy: -322.461
Base-Backbone interact. energy: 0.596
local terms energy: -423.120791
where:
bonds (distance) C4'-P energy: -103.106
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -105.928
flat angles P-C4'-P energy: -53.640
tors. eta vs tors. theta energy: -40.307
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: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -823.639111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.639111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.639111 (E_RNA)
where:
Base-Base interactions energy: -481.547
where: short stacking energy: -244.530
Base-Backbone interact. energy: -2.911
local terms energy: -339.180981
where:
bonds (distance) C4'-P energy: -82.785
bonds (distance) P-C4' energy: -79.581
flat angles C4'-P-C4' energy: -108.911
flat angles P-C4'-P energy: -53.424
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -682.643712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.643712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.643712 (E_RNA)
where:
Base-Base interactions energy: -338.228
where: short stacking energy: -193.959
Base-Backbone interact. energy: -3.682
local terms energy: -340.734216
where:
bonds (distance) C4'-P energy: -87.226
bonds (distance) P-C4' energy: -100.252
flat angles C4'-P-C4' energy: -91.928
flat angles P-C4'-P energy: -55.776
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: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2154.594345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.594345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.594345 (E_RNA)
where:
Base-Base interactions energy: -1480.667
where: short stacking energy: -674.114
Base-Backbone interact. energy: -5.235
local terms energy: -668.692524
where:
bonds (distance) C4'-P energy: -125.024
bonds (distance) P-C4' energy: -118.906
flat angles C4'-P-C4' energy: -135.730
flat angles P-C4'-P energy: -88.879
tors. eta vs tors. theta energy: -200.154
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: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2078.146540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.146540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.146540 (E_RNA)
where:
Base-Base interactions energy: -1438.389
where: short stacking energy: -607.129
Base-Backbone interact. energy: -1.778
local terms energy: -637.979663
where:
bonds (distance) C4'-P energy: -110.763
bonds (distance) P-C4' energy: -132.668
flat angles C4'-P-C4' energy: -134.789
flat angles P-C4'-P energy: -94.204
tors. eta vs tors. theta energy: -165.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2014.865337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.865337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.865337 (E_RNA)
where:
Base-Base interactions energy: -1395.493
where: short stacking energy: -597.043
Base-Backbone interact. energy: -1.819
local terms energy: -617.553981
where:
bonds (distance) C4'-P energy: -109.552
bonds (distance) P-C4' energy: -120.700
flat angles C4'-P-C4' energy: -134.758
flat angles P-C4'-P energy: -87.419
tors. eta vs tors. theta energy: -165.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1873.924573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.924573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.924573 (E_RNA)
where:
Base-Base interactions energy: -1275.314
where: short stacking energy: -535.492
Base-Backbone interact. energy: -3.861
local terms energy: -594.748940
where:
bonds (distance) C4'-P energy: -112.630
bonds (distance) P-C4' energy: -122.120
flat angles C4'-P-C4' energy: -126.707
flat angles P-C4'-P energy: -86.948
tors. eta vs tors. theta energy: -146.344
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: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1745.859906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.859906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.859906 (E_RNA)
where:
Base-Base interactions energy: -1151.261
where: short stacking energy: -515.497
Base-Backbone interact. energy: -1.912
local terms energy: -592.686967
where:
bonds (distance) C4'-P energy: -102.540
bonds (distance) P-C4' energy: -122.567
flat angles C4'-P-C4' energy: -133.804
flat angles P-C4'-P energy: -94.610
tors. eta vs tors. theta energy: -139.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1478.980139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.980139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.980139 (E_RNA)
where:
Base-Base interactions energy: -949.183
where: short stacking energy: -438.633
Base-Backbone interact. energy: -2.714
local terms energy: -527.083362
where:
bonds (distance) C4'-P energy: -107.191
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -117.471
flat angles P-C4'-P energy: -79.924
tors. eta vs tors. theta energy: -109.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1208.798763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.798763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.798763 (E_RNA)
where:
Base-Base interactions energy: -732.986
where: short stacking energy: -343.592
Base-Backbone interact. energy: -2.568
local terms energy: -473.245102
where:
bonds (distance) C4'-P energy: -100.276
bonds (distance) P-C4' energy: -126.077
flat angles C4'-P-C4' energy: -107.257
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -71.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -954.396567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.396567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.396567 (E_RNA)
where:
Base-Base interactions energy: -544.553
where: short stacking energy: -315.929
Base-Backbone interact. energy: 0.307
local terms energy: -410.150273
where:
bonds (distance) C4'-P energy: -90.812
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -109.005
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -35.824
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: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -784.429846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.429846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.429846 (E_RNA)
where:
Base-Base interactions energy: -409.297
where: short stacking energy: -233.749
Base-Backbone interact. energy: -0.774
local terms energy: -374.358696
where:
bonds (distance) C4'-P energy: -93.977
bonds (distance) P-C4' energy: -98.005
flat angles C4'-P-C4' energy: -96.987
flat angles P-C4'-P energy: -60.979
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -658.641432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.641432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.641432 (E_RNA)
where:
Base-Base interactions energy: -306.841
where: short stacking energy: -165.442
Base-Backbone interact. energy: 3.795
local terms energy: -355.595659
where:
bonds (distance) C4'-P energy: -106.022
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -97.802
flat angles P-C4'-P energy: -56.812
tors. eta vs tors. theta energy: 13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2163.422517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.422517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.422517 (E_RNA)
where:
Base-Base interactions energy: -1475.279
where: short stacking energy: -657.955
Base-Backbone interact. energy: -2.893
local terms energy: -685.250017
where:
bonds (distance) C4'-P energy: -118.630
bonds (distance) P-C4' energy: -129.925
flat angles C4'-P-C4' energy: -145.222
flat angles P-C4'-P energy: -82.939
tors. eta vs tors. theta energy: -208.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2068.307911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.307911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.307911 (E_RNA)
where:
Base-Base interactions energy: -1421.292
where: short stacking energy: -609.635
Base-Backbone interact. energy: -3.773
local terms energy: -643.243278
where:
bonds (distance) C4'-P energy: -122.363
bonds (distance) P-C4' energy: -135.549
flat angles C4'-P-C4' energy: -149.646
flat angles P-C4'-P energy: -81.145
tors. eta vs tors. theta energy: -154.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2000.944509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.944509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.944509 (E_RNA)
where:
Base-Base interactions energy: -1404.608
where: short stacking energy: -570.596
Base-Backbone interact. energy: -3.921
local terms energy: -592.415655
where:
bonds (distance) C4'-P energy: -111.624
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -116.277
flat angles P-C4'-P energy: -90.217
tors. eta vs tors. theta energy: -163.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1895.054569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.054569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.054569 (E_RNA)
where:
Base-Base interactions energy: -1287.245
where: short stacking energy: -546.872
Base-Backbone interact. energy: -2.757
local terms energy: -605.052180
where:
bonds (distance) C4'-P energy: -108.893
bonds (distance) P-C4' energy: -113.129
flat angles C4'-P-C4' energy: -129.137
flat angles P-C4'-P energy: -85.066
tors. eta vs tors. theta energy: -168.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1691.571093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.571093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.571093 (E_RNA)
where:
Base-Base interactions energy: -1115.308
where: short stacking energy: -500.590
Base-Backbone interact. energy: -0.016
local terms energy: -576.246568
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -124.948
flat angles P-C4'-P energy: -90.536
tors. eta vs tors. theta energy: -141.502
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: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1487.055726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.055726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.055726 (E_RNA)
where:
Base-Base interactions energy: -948.916
where: short stacking energy: -431.287
Base-Backbone interact. energy: -4.157
local terms energy: -533.983269
where:
bonds (distance) C4'-P energy: -89.746
bonds (distance) P-C4' energy: -120.600
flat angles C4'-P-C4' energy: -123.564
flat angles P-C4'-P energy: -85.732
tors. eta vs tors. theta energy: -114.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1203.489521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.489521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.489521 (E_RNA)
where:
Base-Base interactions energy: -707.093
where: short stacking energy: -315.355
Base-Backbone interact. energy: -1.374
local terms energy: -495.022535
where:
bonds (distance) C4'-P energy: -112.190
bonds (distance) P-C4' energy: -123.933
flat angles C4'-P-C4' energy: -112.305
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -76.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -890.924633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.924633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.924633 (E_RNA)
where:
Base-Base interactions energy: -485.775
where: short stacking energy: -273.669
Base-Backbone interact. energy: 2.506
local terms energy: -407.656396
where:
bonds (distance) C4'-P energy: -126.887
bonds (distance) P-C4' energy: -119.940
flat angles C4'-P-C4' energy: -83.674
flat angles P-C4'-P energy: -57.130
tors. eta vs tors. theta energy: -20.025
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: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -822.510474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.510474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.510474 (E_RNA)
where:
Base-Base interactions energy: -429.984
where: short stacking energy: -245.990
Base-Backbone interact. energy: -0.152
local terms energy: -392.374527
where:
bonds (distance) C4'-P energy: -118.004
bonds (distance) P-C4' energy: -91.957
flat angles C4'-P-C4' energy: -88.363
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -682.195085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.195085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.195085 (E_RNA)
where:
Base-Base interactions energy: -368.393
where: short stacking energy: -175.139
Base-Backbone interact. energy: 0.399
local terms energy: -314.200793
where:
bonds (distance) C4'-P energy: -106.298
bonds (distance) P-C4' energy: -114.209
flat angles C4'-P-C4' energy: -77.550
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: 16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2172.924122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.924122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.924122 (E_RNA)
where:
Base-Base interactions energy: -1471.327
where: short stacking energy: -660.443
Base-Backbone interact. energy: -3.490
local terms energy: -698.107048
where:
bonds (distance) C4'-P energy: -132.913
bonds (distance) P-C4' energy: -116.779
flat angles C4'-P-C4' energy: -145.527
flat angles P-C4'-P energy: -100.695
tors. eta vs tors. theta energy: -202.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2048.762649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.762649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.762649 (E_RNA)
where:
Base-Base interactions energy: -1427.155
where: short stacking energy: -608.295
Base-Backbone interact. energy: -3.461
local terms energy: -618.146901
where:
bonds (distance) C4'-P energy: -108.217
bonds (distance) P-C4' energy: -126.004
flat angles C4'-P-C4' energy: -137.469
flat angles P-C4'-P energy: -85.922
tors. eta vs tors. theta energy: -160.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2023.483047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.483047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.483047 (E_RNA)
where:
Base-Base interactions energy: -1409.176
where: short stacking energy: -583.879
Base-Backbone interact. energy: -3.405
local terms energy: -610.902622
where:
bonds (distance) C4'-P energy: -116.563
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -136.107
flat angles P-C4'-P energy: -83.706
tors. eta vs tors. theta energy: -159.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1855.523225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.523225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.523225 (E_RNA)
where:
Base-Base interactions energy: -1280.876
where: short stacking energy: -538.782
Base-Backbone interact. energy: -3.048
local terms energy: -571.599593
where:
bonds (distance) C4'-P energy: -114.615
bonds (distance) P-C4' energy: -105.688
flat angles C4'-P-C4' energy: -124.495
flat angles P-C4'-P energy: -74.929
tors. eta vs tors. theta energy: -151.873
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: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1717.774234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.774234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.774234 (E_RNA)
where:
Base-Base interactions energy: -1160.084
where: short stacking energy: -497.899
Base-Backbone interact. energy: -0.639
local terms energy: -557.051155
where:
bonds (distance) C4'-P energy: -115.264
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -122.676
flat angles P-C4'-P energy: -75.874
tors. eta vs tors. theta energy: -124.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1546.283038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.283038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.283038 (E_RNA)
where:
Base-Base interactions energy: -1017.943
where: short stacking energy: -457.439
Base-Backbone interact. energy: 2.142
local terms energy: -530.481325
where:
bonds (distance) C4'-P energy: -100.281
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -123.353
flat angles P-C4'-P energy: -74.238
tors. eta vs tors. theta energy: -123.398
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1214.080128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.080128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.080128 (E_RNA)
where:
Base-Base interactions energy: -753.577
where: short stacking energy: -349.971
Base-Backbone interact. energy: 3.114
local terms energy: -463.617192
where:
bonds (distance) C4'-P energy: -110.153
bonds (distance) P-C4' energy: -102.023
flat angles C4'-P-C4' energy: -104.447
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -80.149
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: 286
Temperature: 1.250000
Total energy: -942.478972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.478972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.478972 (E_RNA)
where:
Base-Base interactions energy: -535.047
where: short stacking energy: -289.997
Base-Backbone interact. energy: 0.853
local terms energy: -408.284823
where:
bonds (distance) C4'-P energy: -95.466
bonds (distance) P-C4' energy: -99.082
flat angles C4'-P-C4' energy: -104.179
flat angles P-C4'-P energy: -72.642
tors. eta vs tors. theta energy: -36.915
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: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -839.343964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.343964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.343964 (E_RNA)
where:
Base-Base interactions energy: -448.427
where: short stacking energy: -228.408
Base-Backbone interact. energy: -3.693
local terms energy: -387.223322
where:
bonds (distance) C4'-P energy: -112.295
bonds (distance) P-C4' energy: -103.917
flat angles C4'-P-C4' energy: -97.479
flat angles P-C4'-P energy: -60.588
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -580.986077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.986077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.986077 (E_RNA)
where:
Base-Base interactions energy: -239.392
where: short stacking energy: -156.025
Base-Backbone interact. energy: -2.992
local terms energy: -338.602808
where:
bonds (distance) C4'-P energy: -87.751
bonds (distance) P-C4' energy: -117.067
flat angles C4'-P-C4' energy: -104.071
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: 20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2154.383284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.383284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.383284 (E_RNA)
where:
Base-Base interactions energy: -1457.857
where: short stacking energy: -653.127
Base-Backbone interact. energy: -0.566
local terms energy: -695.959733
where:
bonds (distance) C4'-P energy: -127.114
bonds (distance) P-C4' energy: -135.805
flat angles C4'-P-C4' energy: -133.639
flat angles P-C4'-P energy: -97.624
tors. eta vs tors. theta energy: -201.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2094.866631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.866631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.866631 (E_RNA)
where:
Base-Base interactions energy: -1410.240
where: short stacking energy: -577.665
Base-Backbone interact. energy: -4.900
local terms energy: -679.726339
where:
bonds (distance) C4'-P energy: -135.171
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -143.339
flat angles P-C4'-P energy: -105.228
tors. eta vs tors. theta energy: -160.607
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: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1984.496862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.496862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.496862 (E_RNA)
where:
Base-Base interactions energy: -1371.880
where: short stacking energy: -590.320
Base-Backbone interact. energy: -3.246
local terms energy: -609.370776
where:
bonds (distance) C4'-P energy: -119.411
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -134.918
flat angles P-C4'-P energy: -73.034
tors. eta vs tors. theta energy: -157.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1854.517686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.517686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.517686 (E_RNA)
where:
Base-Base interactions energy: -1257.337
where: short stacking energy: -538.084
Base-Backbone interact. energy: -4.155
local terms energy: -593.025251
where:
bonds (distance) C4'-P energy: -115.597
bonds (distance) P-C4' energy: -112.778
flat angles C4'-P-C4' energy: -125.984
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -148.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1681.525646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.525646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.525646 (E_RNA)
where:
Base-Base interactions energy: -1134.124
where: short stacking energy: -467.143
Base-Backbone interact. energy: -3.553
local terms energy: -543.848289
where:
bonds (distance) C4'-P energy: -112.873
bonds (distance) P-C4' energy: -115.384
flat angles C4'-P-C4' energy: -125.626
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -124.639
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: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1561.291612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.291612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.291612 (E_RNA)
where:
Base-Base interactions energy: -1038.134
where: short stacking energy: -454.032
Base-Backbone interact. energy: -4.637
local terms energy: -518.520857
where:
bonds (distance) C4'-P energy: -99.626
bonds (distance) P-C4' energy: -117.509
flat angles C4'-P-C4' energy: -102.569
flat angles P-C4'-P energy: -69.755
tors. eta vs tors. theta energy: -129.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1263.836969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.836969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.836969 (E_RNA)
where:
Base-Base interactions energy: -772.507
where: short stacking energy: -365.954
Base-Backbone interact. energy: -3.811
local terms energy: -487.519163
where:
bonds (distance) C4'-P energy: -101.493
bonds (distance) P-C4' energy: -121.476
flat angles C4'-P-C4' energy: -108.119
flat angles P-C4'-P energy: -66.587
tors. eta vs tors. theta energy: -89.845
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: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -882.563865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.563865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.563865 (E_RNA)
where:
Base-Base interactions energy: -468.921
where: short stacking energy: -263.946
Base-Backbone interact. energy: 3.483
local terms energy: -417.125186
where:
bonds (distance) C4'-P energy: -103.616
bonds (distance) P-C4' energy: -114.700
flat angles C4'-P-C4' energy: -102.120
flat angles P-C4'-P energy: -59.804
tors. eta vs tors. theta energy: -36.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -879.152153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.152153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.152153 (E_RNA)
where:
Base-Base interactions energy: -484.602
where: short stacking energy: -231.697
Base-Backbone interact. energy: -2.532
local terms energy: -392.018590
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -112.200
flat angles C4'-P-C4' energy: -96.832
flat angles P-C4'-P energy: -57.213
tors. eta vs tors. theta energy: -15.930
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -640.233832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.233832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.233832 (E_RNA)
where:
Base-Base interactions energy: -297.598
where: short stacking energy: -173.439
Base-Backbone interact. energy: 2.145
local terms energy: -344.780554
where:
bonds (distance) C4'-P energy: -94.055
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -104.243
flat angles P-C4'-P energy: -50.149
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2131.607880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.607880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.607880 (E_RNA)
where:
Base-Base interactions energy: -1426.343
where: short stacking energy: -625.254
Base-Backbone interact. energy: -2.957
local terms energy: -702.308218
where:
bonds (distance) C4'-P energy: -134.279
bonds (distance) P-C4' energy: -132.410
flat angles C4'-P-C4' energy: -149.300
flat angles P-C4'-P energy: -98.157
tors. eta vs tors. theta energy: -188.162
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: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2102.600804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.600804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.600804 (E_RNA)
where:
Base-Base interactions energy: -1441.865
where: short stacking energy: -602.806
Base-Backbone interact. energy: -1.178
local terms energy: -659.557612
where:
bonds (distance) C4'-P energy: -126.164
bonds (distance) P-C4' energy: -113.734
flat angles C4'-P-C4' energy: -141.097
flat angles P-C4'-P energy: -101.654
tors. eta vs tors. theta energy: -176.909
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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1993.594548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.594548 (E_RNA)
where:
Base-Base interactions energy: -1371.625
where: short stacking energy: -606.210
Base-Backbone interact. energy: -2.211
local terms energy: -619.758730
where:
bonds (distance) C4'-P energy: -116.237
bonds (distance) P-C4' energy: -126.088
flat angles C4'-P-C4' energy: -136.923
flat angles P-C4'-P energy: -79.699
tors. eta vs tors. theta energy: -160.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1861.352349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.352349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.352349 (E_RNA)
where:
Base-Base interactions energy: -1293.416
where: short stacking energy: -517.350
Base-Backbone interact. energy: 0.515
local terms energy: -568.450441
where:
bonds (distance) C4'-P energy: -118.611
bonds (distance) P-C4' energy: -109.908
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -71.844
tors. eta vs tors. theta energy: -150.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1664.096261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.096261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.096261 (E_RNA)
where:
Base-Base interactions energy: -1100.577
where: short stacking energy: -451.141
Base-Backbone interact. energy: -1.414
local terms energy: -562.105203
where:
bonds (distance) C4'-P energy: -108.265
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -132.867
flat angles P-C4'-P energy: -78.664
tors. eta vs tors. theta energy: -112.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1539.366314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.366314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.366314 (E_RNA)
where:
Base-Base interactions energy: -1002.336
where: short stacking energy: -448.012
Base-Backbone interact. energy: 1.671
local terms energy: -538.701367
where:
bonds (distance) C4'-P energy: -96.964
bonds (distance) P-C4' energy: -129.506
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -80.929
tors. eta vs tors. theta energy: -115.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1273.631705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.631705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.631705 (E_RNA)
where:
Base-Base interactions energy: -803.931
where: short stacking energy: -384.726
Base-Backbone interact. energy: -0.802
local terms energy: -468.898315
where:
bonds (distance) C4'-P energy: -95.460
bonds (distance) P-C4' energy: -103.295
flat angles C4'-P-C4' energy: -123.275
flat angles P-C4'-P energy: -60.459
tors. eta vs tors. theta energy: -86.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -898.407352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.407352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.407352 (E_RNA)
where:
Base-Base interactions energy: -523.667
where: short stacking energy: -293.315
Base-Backbone interact. energy: 2.316
local terms energy: -377.056739
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -98.129
flat angles C4'-P-C4' energy: -107.391
flat angles P-C4'-P energy: -52.711
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -879.904696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.904696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.904696 (E_RNA)
where:
Base-Base interactions energy: -504.072
where: short stacking energy: -274.885
Base-Backbone interact. energy: 3.517
local terms energy: -379.349938
where:
bonds (distance) C4'-P energy: -103.203
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -85.830
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -635.929173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.929173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.929173 (E_RNA)
where:
Base-Base interactions energy: -305.894
where: short stacking energy: -192.132
Base-Backbone interact. energy: 4.650
local terms energy: -334.685010
where:
bonds (distance) C4'-P energy: -85.857
bonds (distance) P-C4' energy: -101.164
flat angles C4'-P-C4' energy: -97.531
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2175.629753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.629753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.629753 (E_RNA)
where:
Base-Base interactions energy: -1463.594
where: short stacking energy: -676.779
Base-Backbone interact. energy: -1.878
local terms energy: -710.157460
where:
bonds (distance) C4'-P energy: -119.867
bonds (distance) P-C4' energy: -127.718
flat angles C4'-P-C4' energy: -155.276
flat angles P-C4'-P energy: -100.283
tors. eta vs tors. theta energy: -207.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2106.220006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.220006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.220006 (E_RNA)
where:
Base-Base interactions energy: -1442.035
where: short stacking energy: -612.435
Base-Backbone interact. energy: -4.542
local terms energy: -659.643657
where:
bonds (distance) C4'-P energy: -124.650
bonds (distance) P-C4' energy: -114.216
flat angles C4'-P-C4' energy: -147.148
flat angles P-C4'-P energy: -87.832
tors. eta vs tors. theta energy: -185.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2007.775233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.775233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.775233 (E_RNA)
where:
Base-Base interactions energy: -1395.966
where: short stacking energy: -630.714
Base-Backbone interact. energy: -0.672
local terms energy: -611.137935
where:
bonds (distance) C4'-P energy: -111.814
bonds (distance) P-C4' energy: -125.542
flat angles C4'-P-C4' energy: -126.777
flat angles P-C4'-P energy: -81.419
tors. eta vs tors. theta energy: -165.587
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: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1894.856523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.856523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.856523 (E_RNA)
where:
Base-Base interactions energy: -1288.584
where: short stacking energy: -551.984
Base-Backbone interact. energy: -2.883
local terms energy: -603.389855
where:
bonds (distance) C4'-P energy: -111.127
bonds (distance) P-C4' energy: -113.299
flat angles C4'-P-C4' energy: -137.314
flat angles P-C4'-P energy: -83.071
tors. eta vs tors. theta energy: -158.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1630.735475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.735475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.735475 (E_RNA)
where:
Base-Base interactions energy: -1072.388
where: short stacking energy: -472.682
Base-Backbone interact. energy: -3.665
local terms energy: -554.682997
where:
bonds (distance) C4'-P energy: -108.251
bonds (distance) P-C4' energy: -119.210
flat angles C4'-P-C4' energy: -122.658
flat angles P-C4'-P energy: -88.211
tors. eta vs tors. theta energy: -116.352
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: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1529.128624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.128624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.128624 (E_RNA)
where:
Base-Base interactions energy: -964.235
where: short stacking energy: -454.979
Base-Backbone interact. energy: -2.278
local terms energy: -562.615614
where:
bonds (distance) C4'-P energy: -120.175
bonds (distance) P-C4' energy: -121.965
flat angles C4'-P-C4' energy: -119.332
flat angles P-C4'-P energy: -74.943
tors. eta vs tors. theta energy: -126.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1249.527509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.527509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.527509 (E_RNA)
where:
Base-Base interactions energy: -755.218
where: short stacking energy: -365.626
Base-Backbone interact. energy: -1.599
local terms energy: -492.710601
where:
bonds (distance) C4'-P energy: -107.343
bonds (distance) P-C4' energy: -111.006
flat angles C4'-P-C4' energy: -115.011
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -84.989
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: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -851.389999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.389999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.389999 (E_RNA)
where:
Base-Base interactions energy: -454.652
where: short stacking energy: -238.020
Base-Backbone interact. energy: 7.459
local terms energy: -404.196584
where:
bonds (distance) C4'-P energy: -108.696
bonds (distance) P-C4' energy: -122.600
flat angles C4'-P-C4' energy: -95.505
flat angles P-C4'-P energy: -60.877
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -820.931753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.931753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.931753 (E_RNA)
where:
Base-Base interactions energy: -450.819
where: short stacking energy: -230.258
Base-Backbone interact. energy: -3.018
local terms energy: -367.094799
where:
bonds (distance) C4'-P energy: -104.694
bonds (distance) P-C4' energy: -100.441
flat angles C4'-P-C4' energy: -94.108
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -665.784344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.784344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.784344 (E_RNA)
where:
Base-Base interactions energy: -334.095
where: short stacking energy: -185.904
Base-Backbone interact. energy: -3.751
local terms energy: -327.938707
where:
bonds (distance) C4'-P energy: -106.689
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: 8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2199.052086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.052086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.052086 (E_RNA)
where:
Base-Base interactions energy: -1495.879
where: short stacking energy: -666.294
Base-Backbone interact. energy: 0.586
local terms energy: -703.759188
where:
bonds (distance) C4'-P energy: -120.933
bonds (distance) P-C4' energy: -124.457
flat angles C4'-P-C4' energy: -153.061
flat angles P-C4'-P energy: -103.851
tors. eta vs tors. theta energy: -201.458
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: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2096.313032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.313032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.313032 (E_RNA)
where:
Base-Base interactions energy: -1453.093
where: short stacking energy: -604.919
Base-Backbone interact. energy: -6.305
local terms energy: -636.914815
where:
bonds (distance) C4'-P energy: -115.291
bonds (distance) P-C4' energy: -126.953
flat angles C4'-P-C4' energy: -129.970
flat angles P-C4'-P energy: -86.839
tors. eta vs tors. theta energy: -177.862
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: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1958.336316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.336316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.336316 (E_RNA)
where:
Base-Base interactions energy: -1334.430
where: short stacking energy: -551.180
Base-Backbone interact. energy: -3.712
local terms energy: -620.193863
where:
bonds (distance) C4'-P energy: -123.664
bonds (distance) P-C4' energy: -119.740
flat angles C4'-P-C4' energy: -135.007
flat angles P-C4'-P energy: -88.887
tors. eta vs tors. theta energy: -152.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1870.491039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.491039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.491039 (E_RNA)
where:
Base-Base interactions energy: -1246.836
where: short stacking energy: -551.276
Base-Backbone interact. energy: -3.692
local terms energy: -619.962668
where:
bonds (distance) C4'-P energy: -124.366
bonds (distance) P-C4' energy: -111.827
flat angles C4'-P-C4' energy: -148.926
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -160.410
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: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1593.303265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.303265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.303265 (E_RNA)
where:
Base-Base interactions energy: -1044.266
where: short stacking energy: -498.467
Base-Backbone interact. energy: -2.384
local terms energy: -546.653347
where:
bonds (distance) C4'-P energy: -104.251
bonds (distance) P-C4' energy: -108.354
flat angles C4'-P-C4' energy: -118.442
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: -134.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1494.071886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.071886 (E_RNA)
where:
Base-Base interactions energy: -951.897
where: short stacking energy: -441.494
Base-Backbone interact. energy: 1.263
local terms energy: -543.438623
where:
bonds (distance) C4'-P energy: -121.676
bonds (distance) P-C4' energy: -117.290
flat angles C4'-P-C4' energy: -106.700
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -123.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1212.964662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.964662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.964662 (E_RNA)
where:
Base-Base interactions energy: -764.529
where: short stacking energy: -383.127
Base-Backbone interact. energy: 2.531
local terms energy: -450.966996
where:
bonds (distance) C4'-P energy: -95.063
bonds (distance) P-C4' energy: -121.926
flat angles C4'-P-C4' energy: -110.364
flat angles P-C4'-P energy: -47.334
tors. eta vs tors. theta energy: -76.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -858.470381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.470381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.470381 (E_RNA)
where:
Base-Base interactions energy: -501.534
where: short stacking energy: -257.730
Base-Backbone interact. energy: -1.207
local terms energy: -355.728825
where:
bonds (distance) C4'-P energy: -100.426
bonds (distance) P-C4' energy: -92.412
flat angles C4'-P-C4' energy: -113.015
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -849.134959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.134959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.134959 (E_RNA)
where:
Base-Base interactions energy: -487.434
where: short stacking energy: -247.318
Base-Backbone interact. energy: -0.661
local terms energy: -361.040082
where:
bonds (distance) C4'-P energy: -82.903
bonds (distance) P-C4' energy: -92.834
flat angles C4'-P-C4' energy: -105.614
flat angles P-C4'-P energy: -59.356
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -647.131728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.131728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.131728 (E_RNA)
where:
Base-Base interactions energy: -333.102
where: short stacking energy: -172.973
Base-Backbone interact. energy: -0.754
local terms energy: -313.275512
where:
bonds (distance) C4'-P energy: -92.688
bonds (distance) P-C4' energy: -91.222
flat angles C4'-P-C4' energy: -91.638
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: 4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2174.204307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.204307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.204307 (E_RNA)
where:
Base-Base interactions energy: -1476.815
where: short stacking energy: -652.964
Base-Backbone interact. energy: -2.755
local terms energy: -694.633926
where:
bonds (distance) C4'-P energy: -124.145
bonds (distance) P-C4' energy: -131.590
flat angles C4'-P-C4' energy: -144.099
flat angles P-C4'-P energy: -88.287
tors. eta vs tors. theta energy: -206.513
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: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2064.694129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.694129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.694129 (E_RNA)
where:
Base-Base interactions energy: -1421.012
where: short stacking energy: -599.692
Base-Backbone interact. energy: -1.547
local terms energy: -642.134928
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -122.100
flat angles C4'-P-C4' energy: -144.030
flat angles P-C4'-P energy: -73.490
tors. eta vs tors. theta energy: -180.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1979.709676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.709676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.709676 (E_RNA)
where:
Base-Base interactions energy: -1359.620
where: short stacking energy: -582.085
Base-Backbone interact. energy: -5.347
local terms energy: -614.742252
where:
bonds (distance) C4'-P energy: -121.980
bonds (distance) P-C4' energy: -113.658
flat angles C4'-P-C4' energy: -131.968
flat angles P-C4'-P energy: -92.579
tors. eta vs tors. theta energy: -154.558
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1923.288414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.288414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.288414 (E_RNA)
where:
Base-Base interactions energy: -1312.810
where: short stacking energy: -561.039
Base-Backbone interact. energy: -3.800
local terms energy: -606.677833
where:
bonds (distance) C4'-P energy: -111.122
bonds (distance) P-C4' energy: -134.356
flat angles C4'-P-C4' energy: -124.664
flat angles P-C4'-P energy: -86.914
tors. eta vs tors. theta energy: -149.621
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1576.459592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.459592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.459592 (E_RNA)
where:
Base-Base interactions energy: -1028.156
where: short stacking energy: -469.941
Base-Backbone interact. energy: -2.854
local terms energy: -545.449361
where:
bonds (distance) C4'-P energy: -122.672
bonds (distance) P-C4' energy: -121.009
flat angles C4'-P-C4' energy: -125.259
flat angles P-C4'-P energy: -58.599
tors. eta vs tors. theta energy: -117.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1544.656022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.656022 (E_RNA)
where:
Base-Base interactions energy: -958.336
where: short stacking energy: -452.752
Base-Backbone interact. energy: -2.506
local terms energy: -583.814641
where:
bonds (distance) C4'-P energy: -116.037
bonds (distance) P-C4' energy: -114.763
flat angles C4'-P-C4' energy: -133.758
flat angles P-C4'-P energy: -89.255
tors. eta vs tors. theta energy: -130.002
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1126.847441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.847441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.847441 (E_RNA)
where:
Base-Base interactions energy: -697.133
where: short stacking energy: -360.902
Base-Backbone interact. energy: -1.397
local terms energy: -428.316673
where:
bonds (distance) C4'-P energy: -101.716
bonds (distance) P-C4' energy: -93.824
flat angles C4'-P-C4' energy: -94.800
flat angles P-C4'-P energy: -68.554
tors. eta vs tors. theta energy: -69.423
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: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -879.150204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.150204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.150204 (E_RNA)
where:
Base-Base interactions energy: -463.368
where: short stacking energy: -273.749
Base-Backbone interact. energy: -2.377
local terms energy: -413.404400
where:
bonds (distance) C4'-P energy: -107.509
bonds (distance) P-C4' energy: -99.663
flat angles C4'-P-C4' energy: -112.861
flat angles P-C4'-P energy: -63.495
tors. eta vs tors. theta energy: -29.876
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: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -783.362235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.362235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.362235 (E_RNA)
where:
Base-Base interactions energy: -393.263
where: short stacking energy: -201.947
Base-Backbone interact. energy: -3.687
local terms energy: -386.412102
where:
bonds (distance) C4'-P energy: -100.899
bonds (distance) P-C4' energy: -106.615
flat angles C4'-P-C4' energy: -93.860
flat angles P-C4'-P energy: -65.037
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -667.389360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.389360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.389360 (E_RNA)
where:
Base-Base interactions energy: -319.842
where: short stacking energy: -178.450
Base-Backbone interact. energy: -3.189
local terms energy: -344.358305
where:
bonds (distance) C4'-P energy: -100.397
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -104.163
flat angles P-C4'-P energy: -60.841
tors. eta vs tors. theta energy: 13.260
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2170.197529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.197529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.197529 (E_RNA)
where:
Base-Base interactions energy: -1481.781
where: short stacking energy: -667.650
Base-Backbone interact. energy: -0.839
local terms energy: -687.578216
where:
bonds (distance) C4'-P energy: -128.803
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -139.359
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -204.331
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2071.377509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.377509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.377509 (E_RNA)
where:
Base-Base interactions energy: -1425.916
where: short stacking energy: -607.372
Base-Backbone interact. energy: -3.856
local terms energy: -641.605905
where:
bonds (distance) C4'-P energy: -125.273
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -133.834
flat angles P-C4'-P energy: -90.991
tors. eta vs tors. theta energy: -172.866
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1956.982261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.982261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.982261 (E_RNA)
where:
Base-Base interactions energy: -1359.477
where: short stacking energy: -542.485
Base-Backbone interact. energy: -5.760
local terms energy: -591.745520
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -107.324
flat angles C4'-P-C4' energy: -139.324
flat angles P-C4'-P energy: -85.098
tors. eta vs tors. theta energy: -141.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1899.404373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.404373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.404373 (E_RNA)
where:
Base-Base interactions energy: -1273.460
where: short stacking energy: -536.642
Base-Backbone interact. energy: -0.135
local terms energy: -625.808637
where:
bonds (distance) C4'-P energy: -120.786
bonds (distance) P-C4' energy: -133.242
flat angles C4'-P-C4' energy: -121.374
flat angles P-C4'-P energy: -93.397
tors. eta vs tors. theta energy: -157.009
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1598.966837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.966837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.966837 (E_RNA)
where:
Base-Base interactions energy: -1035.565
where: short stacking energy: -490.688
Base-Backbone interact. energy: -2.349
local terms energy: -561.052527
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -122.278
flat angles C4'-P-C4' energy: -122.769
flat angles P-C4'-P energy: -66.444
tors. eta vs tors. theta energy: -144.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1552.632900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.632900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.632900 (E_RNA)
where:
Base-Base interactions energy: -1004.503
where: short stacking energy: -448.100
Base-Backbone interact. energy: -1.370
local terms energy: -546.760127
where:
bonds (distance) C4'-P energy: -101.753
bonds (distance) P-C4' energy: -117.204
flat angles C4'-P-C4' energy: -130.256
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -117.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1185.658335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.658335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.658335 (E_RNA)
where:
Base-Base interactions energy: -713.960
where: short stacking energy: -346.438
Base-Backbone interact. energy: 6.994
local terms energy: -478.692398
where:
bonds (distance) C4'-P energy: -99.199
bonds (distance) P-C4' energy: -109.771
flat angles C4'-P-C4' energy: -99.110
flat angles P-C4'-P energy: -90.447
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: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -826.485029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.485029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.485029 (E_RNA)
where:
Base-Base interactions energy: -420.725
where: short stacking energy: -243.899
Base-Backbone interact. energy: -2.617
local terms energy: -403.142968
where:
bonds (distance) C4'-P energy: -105.235
bonds (distance) P-C4' energy: -112.158
flat angles C4'-P-C4' energy: -99.049
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -28.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -791.044135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.044135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.044135 (E_RNA)
where:
Base-Base interactions energy: -406.820
where: short stacking energy: -212.913
Base-Backbone interact. energy: -1.054
local terms energy: -383.170456
where:
bonds (distance) C4'-P energy: -101.278
bonds (distance) P-C4' energy: -121.688
flat angles C4'-P-C4' energy: -74.878
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -666.197426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.197426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.197426 (E_RNA)
where:
Base-Base interactions energy: -330.253
where: short stacking energy: -171.677
Base-Backbone interact. energy: 0.961
local terms energy: -336.906139
where:
bonds (distance) C4'-P energy: -106.163
bonds (distance) P-C4' energy: -108.793
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: 6.917
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: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2179.272870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.272870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.272870 (E_RNA)
where:
Base-Base interactions energy: -1490.479
where: short stacking energy: -649.964
Base-Backbone interact. energy: -4.364
local terms energy: -684.429640
where:
bonds (distance) C4'-P energy: -122.052
bonds (distance) P-C4' energy: -118.735
flat angles C4'-P-C4' energy: -142.069
flat angles P-C4'-P energy: -103.732
tors. eta vs tors. theta energy: -197.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2057.067105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.067105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.067105 (E_RNA)
where:
Base-Base interactions energy: -1418.285
where: short stacking energy: -601.334
Base-Backbone interact. energy: -1.968
local terms energy: -636.813996
where:
bonds (distance) C4'-P energy: -109.228
bonds (distance) P-C4' energy: -133.229
flat angles C4'-P-C4' energy: -129.226
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -165.695
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: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1931.468170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.468170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.468170 (E_RNA)
where:
Base-Base interactions energy: -1323.087
where: short stacking energy: -546.057
Base-Backbone interact. energy: -0.598
local terms energy: -607.782429
where:
bonds (distance) C4'-P energy: -119.734
bonds (distance) P-C4' energy: -128.655
flat angles C4'-P-C4' energy: -125.646
flat angles P-C4'-P energy: -91.670
tors. eta vs tors. theta energy: -142.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1911.289259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.289259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.289259 (E_RNA)
where:
Base-Base interactions energy: -1307.408
where: short stacking energy: -531.866
Base-Backbone interact. energy: -1.189
local terms energy: -602.692137
where:
bonds (distance) C4'-P energy: -126.215
bonds (distance) P-C4' energy: -119.806
flat angles C4'-P-C4' energy: -135.296
flat angles P-C4'-P energy: -68.842
tors. eta vs tors. theta energy: -152.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1598.040062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.040062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.040062 (E_RNA)
where:
Base-Base interactions energy: -1073.854
where: short stacking energy: -484.420
Base-Backbone interact. energy: -3.836
local terms energy: -520.350137
where:
bonds (distance) C4'-P energy: -104.219
bonds (distance) P-C4' energy: -115.350
flat angles C4'-P-C4' energy: -102.291
flat angles P-C4'-P energy: -75.811
tors. eta vs tors. theta energy: -122.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1569.447716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.447716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.447716 (E_RNA)
where:
Base-Base interactions energy: -1012.397
where: short stacking energy: -493.614
Base-Backbone interact. energy: -1.449
local terms energy: -555.601012
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -114.444
flat angles C4'-P-C4' energy: -121.525
flat angles P-C4'-P energy: -65.859
tors. eta vs tors. theta energy: -149.059
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: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1272.626731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.626731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.626731 (E_RNA)
where:
Base-Base interactions energy: -780.966
where: short stacking energy: -400.428
Base-Backbone interact. energy: -2.250
local terms energy: -489.410574
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -104.162
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -97.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -932.023915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.023915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.023915 (E_RNA)
where:
Base-Base interactions energy: -476.998
where: short stacking energy: -234.463
Base-Backbone interact. energy: -1.391
local terms energy: -453.635431
where:
bonds (distance) C4'-P energy: -114.856
bonds (distance) P-C4' energy: -126.068
flat angles C4'-P-C4' energy: -98.458
flat angles P-C4'-P energy: -70.458
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -782.844558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.844558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.844558 (E_RNA)
where:
Base-Base interactions energy: -377.814
where: short stacking energy: -216.553
Base-Backbone interact. energy: 1.127
local terms energy: -406.157928
where:
bonds (distance) C4'-P energy: -118.786
bonds (distance) P-C4' energy: -110.422
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -72.435
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -633.113640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.113640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.113640 (E_RNA)
where:
Base-Base interactions energy: -293.630
where: short stacking energy: -168.587
Base-Backbone interact. energy: -1.617
local terms energy: -337.866277
where:
bonds (distance) C4'-P energy: -117.526
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -87.458
flat angles P-C4'-P energy: -49.050
tors. eta vs tors. theta energy: 8.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2222.389554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.389554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.389554 (E_RNA)
where:
Base-Base interactions energy: -1509.823
where: short stacking energy: -665.268
Base-Backbone interact. energy: -0.337
local terms energy: -712.229904
where:
bonds (distance) C4'-P energy: -132.042
bonds (distance) P-C4' energy: -133.976
flat angles C4'-P-C4' energy: -141.579
flat angles P-C4'-P energy: -100.906
tors. eta vs tors. theta energy: -203.727
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2072.084823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.084823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.084823 (E_RNA)
where:
Base-Base interactions energy: -1417.190
where: short stacking energy: -569.877
Base-Backbone interact. energy: -5.144
local terms energy: -649.750205
where:
bonds (distance) C4'-P energy: -128.025
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -137.050
flat angles P-C4'-P energy: -91.885
tors. eta vs tors. theta energy: -165.768
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: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1971.863540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.863540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.863540 (E_RNA)
where:
Base-Base interactions energy: -1349.063
where: short stacking energy: -575.525
Base-Backbone interact. energy: -2.073
local terms energy: -620.727977
where:
bonds (distance) C4'-P energy: -127.754
bonds (distance) P-C4' energy: -121.228
flat angles C4'-P-C4' energy: -130.758
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -158.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1888.786986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.786986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.786986 (E_RNA)
where:
Base-Base interactions energy: -1301.235
where: short stacking energy: -537.515
Base-Backbone interact. energy: -4.768
local terms energy: -582.783970
where:
bonds (distance) C4'-P energy: -132.407
bonds (distance) P-C4' energy: -126.420
flat angles C4'-P-C4' energy: -111.582
flat angles P-C4'-P energy: -82.136
tors. eta vs tors. theta energy: -130.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1646.113412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.113412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.113412 (E_RNA)
where:
Base-Base interactions energy: -1082.774
where: short stacking energy: -507.307
Base-Backbone interact. energy: -4.198
local terms energy: -559.141130
where:
bonds (distance) C4'-P energy: -102.368
bonds (distance) P-C4' energy: -99.696
flat angles C4'-P-C4' energy: -128.087
flat angles P-C4'-P energy: -96.248
tors. eta vs tors. theta energy: -132.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1514.824480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.824480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.824480 (E_RNA)
where:
Base-Base interactions energy: -965.421
where: short stacking energy: -459.293
Base-Backbone interact. energy: -1.399
local terms energy: -548.004402
where:
bonds (distance) C4'-P energy: -95.787
bonds (distance) P-C4' energy: -120.765
flat angles C4'-P-C4' energy: -128.899
flat angles P-C4'-P energy: -74.473
tors. eta vs tors. theta energy: -128.080
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: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1261.560191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.560191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.560191 (E_RNA)
where:
Base-Base interactions energy: -778.640
where: short stacking energy: -393.476
Base-Backbone interact. energy: 2.661
local terms energy: -485.581231
where:
bonds (distance) C4'-P energy: -109.442
bonds (distance) P-C4' energy: -106.483
flat angles C4'-P-C4' energy: -119.922
flat angles P-C4'-P energy: -61.255
tors. eta vs tors. theta energy: -88.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1005.557296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.557296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.557296 (E_RNA)
where:
Base-Base interactions energy: -594.495
where: short stacking energy: -317.750
Base-Backbone interact. energy: -2.315
local terms energy: -408.746929
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -108.670
flat angles C4'-P-C4' energy: -99.621
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -58.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -874.699189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.699189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.699189 (E_RNA)
where:
Base-Base interactions energy: -473.467
where: short stacking energy: -233.349
Base-Backbone interact. energy: 0.022
local terms energy: -401.254205
where:
bonds (distance) C4'-P energy: -85.648
bonds (distance) P-C4' energy: -110.651
flat angles C4'-P-C4' energy: -110.443
flat angles P-C4'-P energy: -59.602
tors. eta vs tors. theta energy: -34.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -600.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.680387 (E_RNA)
where:
Base-Base interactions energy: -298.591
where: short stacking energy: -180.112
Base-Backbone interact. energy: -2.919
local terms energy: -299.171170
where:
bonds (distance) C4'-P energy: -79.761
bonds (distance) P-C4' energy: -122.506
flat angles C4'-P-C4' energy: -83.327
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: 17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2207.631398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.631398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.631398 (E_RNA)
where:
Base-Base interactions energy: -1494.945
where: short stacking energy: -676.239
Base-Backbone interact. energy: 0.112
local terms energy: -712.798346
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -132.966
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -210.043
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: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2081.514483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.514483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.514483 (E_RNA)
where:
Base-Base interactions energy: -1444.721
where: short stacking energy: -594.014
Base-Backbone interact. energy: -1.811
local terms energy: -634.982086
where:
bonds (distance) C4'-P energy: -117.674
bonds (distance) P-C4' energy: -123.455
flat angles C4'-P-C4' energy: -131.582
flat angles P-C4'-P energy: -88.474
tors. eta vs tors. theta energy: -173.797
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: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2030.536035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.536035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.536035 (E_RNA)
where:
Base-Base interactions energy: -1377.617
where: short stacking energy: -567.332
Base-Backbone interact. energy: 0.005
local terms energy: -652.923434
where:
bonds (distance) C4'-P energy: -130.544
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -143.714
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -168.590
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: 295
Temperature: 1.050000
Total energy: -1901.056455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.056455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.056455 (E_RNA)
where:
Base-Base interactions energy: -1300.045
where: short stacking energy: -547.297
Base-Backbone interact. energy: -1.776
local terms energy: -599.235538
where:
bonds (distance) C4'-P energy: -121.645
bonds (distance) P-C4' energy: -123.151
flat angles C4'-P-C4' energy: -131.671
flat angles P-C4'-P energy: -83.283
tors. eta vs tors. theta energy: -139.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1625.512092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.512092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.512092 (E_RNA)
where:
Base-Base interactions energy: -1071.080
where: short stacking energy: -486.885
Base-Backbone interact. energy: -2.997
local terms energy: -551.435350
where:
bonds (distance) C4'-P energy: -120.110
bonds (distance) P-C4' energy: -117.950
flat angles C4'-P-C4' energy: -122.557
flat angles P-C4'-P energy: -77.618
tors. eta vs tors. theta energy: -113.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1491.754645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.754645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.754645 (E_RNA)
where:
Base-Base interactions energy: -974.889
where: short stacking energy: -443.511
Base-Backbone interact. energy: -1.832
local terms energy: -515.033589
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -100.930
flat angles C4'-P-C4' energy: -135.737
flat angles P-C4'-P energy: -65.545
tors. eta vs tors. theta energy: -108.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1210.340575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.340575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.340575 (E_RNA)
where:
Base-Base interactions energy: -746.537
where: short stacking energy: -384.428
Base-Backbone interact. energy: -1.412
local terms energy: -462.391174
where:
bonds (distance) C4'-P energy: -110.172
bonds (distance) P-C4' energy: -115.820
flat angles C4'-P-C4' energy: -113.992
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: -66.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1051.057823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.057823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.057823 (E_RNA)
where:
Base-Base interactions energy: -617.054
where: short stacking energy: -293.732
Base-Backbone interact. energy: 1.382
local terms energy: -435.385998
where:
bonds (distance) C4'-P energy: -104.793
bonds (distance) P-C4' energy: -105.489
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -68.364
tors. eta vs tors. theta energy: -53.569
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -850.553414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.553414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.553414 (E_RNA)
where:
Base-Base interactions energy: -468.463
where: short stacking energy: -246.916
Base-Backbone interact. energy: 4.728
local terms energy: -386.818296
where:
bonds (distance) C4'-P energy: -109.320
bonds (distance) P-C4' energy: -107.212
flat angles C4'-P-C4' energy: -86.577
flat angles P-C4'-P energy: -49.369
tors. eta vs tors. theta energy: -34.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -575.814149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.814149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.814149 (E_RNA)
where:
Base-Base interactions energy: -267.594
where: short stacking energy: -147.945
Base-Backbone interact. energy: 0.132
local terms energy: -308.351384
where:
bonds (distance) C4'-P energy: -109.288
bonds (distance) P-C4' energy: -86.922
flat angles C4'-P-C4' energy: -68.266
flat angles P-C4'-P energy: -60.659
tors. eta vs tors. theta energy: 16.784
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: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2211.876554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.876554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.876554 (E_RNA)
where:
Base-Base interactions energy: -1494.110
where: short stacking energy: -678.887
Base-Backbone interact. energy: -1.828
local terms energy: -715.939353
where:
bonds (distance) C4'-P energy: -122.551
bonds (distance) P-C4' energy: -136.627
flat angles C4'-P-C4' energy: -145.539
flat angles P-C4'-P energy: -101.431
tors. eta vs tors. theta energy: -209.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2105.775505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.775505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.775505 (E_RNA)
where:
Base-Base interactions energy: -1462.639
where: short stacking energy: -609.902
Base-Backbone interact. energy: -5.704
local terms energy: -637.433122
where:
bonds (distance) C4'-P energy: -124.338
bonds (distance) P-C4' energy: -116.174
flat angles C4'-P-C4' energy: -129.694
flat angles P-C4'-P energy: -95.445
tors. eta vs tors. theta energy: -171.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1947.262662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.262662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.262662 (E_RNA)
where:
Base-Base interactions energy: -1336.359
where: short stacking energy: -554.371
Base-Backbone interact. energy: -2.407
local terms energy: -608.495993
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -125.448
flat angles C4'-P-C4' energy: -125.610
flat angles P-C4'-P energy: -84.202
tors. eta vs tors. theta energy: -156.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1889.539265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.539265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.539265 (E_RNA)
where:
Base-Base interactions energy: -1321.626
where: short stacking energy: -547.319
Base-Backbone interact. energy: 4.812
local terms energy: -572.724852
where:
bonds (distance) C4'-P energy: -111.085
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -116.428
flat angles P-C4'-P energy: -83.697
tors. eta vs tors. theta energy: -141.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1621.517713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.517713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.517713 (E_RNA)
where:
Base-Base interactions energy: -1079.460
where: short stacking energy: -466.992
Base-Backbone interact. energy: 2.531
local terms energy: -544.588643
where:
bonds (distance) C4'-P energy: -105.744
bonds (distance) P-C4' energy: -105.391
flat angles C4'-P-C4' energy: -118.093
flat angles P-C4'-P energy: -94.192
tors. eta vs tors. theta energy: -121.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1510.229946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.229946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.229946 (E_RNA)
where:
Base-Base interactions energy: -1002.541
where: short stacking energy: -496.169
Base-Backbone interact. energy: -4.019
local terms energy: -503.669419
where:
bonds (distance) C4'-P energy: -100.129
bonds (distance) P-C4' energy: -99.562
flat angles C4'-P-C4' energy: -114.646
flat angles P-C4'-P energy: -72.485
tors. eta vs tors. theta energy: -116.847
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: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1116.786953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.786953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.786953 (E_RNA)
where:
Base-Base interactions energy: -653.764
where: short stacking energy: -309.431
Base-Backbone interact. energy: 0.801
local terms energy: -463.824058
where:
bonds (distance) C4'-P energy: -113.821
bonds (distance) P-C4' energy: -108.055
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -55.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -951.440610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.440610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.440610 (E_RNA)
where:
Base-Base interactions energy: -541.374
where: short stacking energy: -289.824
Base-Backbone interact. energy: 2.263
local terms energy: -412.329930
where:
bonds (distance) C4'-P energy: -101.634
bonds (distance) P-C4' energy: -93.567
flat angles C4'-P-C4' energy: -99.303
flat angles P-C4'-P energy: -71.816
tors. eta vs tors. theta energy: -46.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -810.348887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.348887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.348887 (E_RNA)
where:
Base-Base interactions energy: -471.778
where: short stacking energy: -257.126
Base-Backbone interact. energy: -3.039
local terms energy: -335.532174
where:
bonds (distance) C4'-P energy: -93.950
bonds (distance) P-C4' energy: -89.399
flat angles C4'-P-C4' energy: -67.654
flat angles P-C4'-P energy: -53.736
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -592.446772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.446772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.446772 (E_RNA)
where:
Base-Base interactions energy: -287.641
where: short stacking energy: -198.148
Base-Backbone interact. energy: 0.075
local terms energy: -304.880737
where:
bonds (distance) C4'-P energy: -84.511
bonds (distance) P-C4' energy: -98.302
flat angles C4'-P-C4' energy: -79.349
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2228.818311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.818311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.818311 (E_RNA)
where:
Base-Base interactions energy: -1532.110
where: short stacking energy: -668.543
Base-Backbone interact. energy: -3.297
local terms energy: -693.411951
where:
bonds (distance) C4'-P energy: -115.603
bonds (distance) P-C4' energy: -131.480
flat angles C4'-P-C4' energy: -140.837
flat angles P-C4'-P energy: -96.114
tors. eta vs tors. theta energy: -209.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2102.383319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.383319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.383319 (E_RNA)
where:
Base-Base interactions energy: -1441.594
where: short stacking energy: -587.578
Base-Backbone interact. energy: -4.692
local terms energy: -656.097976
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -131.575
flat angles C4'-P-C4' energy: -141.763
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: -174.737
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: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1948.838284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.838284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.838284 (E_RNA)
where:
Base-Base interactions energy: -1361.041
where: short stacking energy: -566.820
Base-Backbone interact. energy: 1.695
local terms energy: -589.492056
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -125.906
flat angles C4'-P-C4' energy: -124.629
flat angles P-C4'-P energy: -74.897
tors. eta vs tors. theta energy: -156.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1902.346545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.346545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.346545 (E_RNA)
where:
Base-Base interactions energy: -1290.699
where: short stacking energy: -550.175
Base-Backbone interact. energy: -2.437
local terms energy: -609.210043
where:
bonds (distance) C4'-P energy: -111.352
bonds (distance) P-C4' energy: -119.006
flat angles C4'-P-C4' energy: -139.251
flat angles P-C4'-P energy: -91.938
tors. eta vs tors. theta energy: -147.662
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1637.003959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.003959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.003959 (E_RNA)
where:
Base-Base interactions energy: -1093.198
where: short stacking energy: -495.338
Base-Backbone interact. energy: -3.055
local terms energy: -540.750865
where:
bonds (distance) C4'-P energy: -112.926
bonds (distance) P-C4' energy: -104.820
flat angles C4'-P-C4' energy: -119.864
flat angles P-C4'-P energy: -72.928
tors. eta vs tors. theta energy: -130.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1480.255891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.255891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.255891 (E_RNA)
where:
Base-Base interactions energy: -966.661
where: short stacking energy: -476.413
Base-Backbone interact. energy: 1.373
local terms energy: -514.967609
where:
bonds (distance) C4'-P energy: -109.787
bonds (distance) P-C4' energy: -103.628
flat angles C4'-P-C4' energy: -103.086
flat angles P-C4'-P energy: -82.325
tors. eta vs tors. theta energy: -116.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1239.099271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.099271 (E_RNA)
where:
Base-Base interactions energy: -748.915
where: short stacking energy: -373.301
Base-Backbone interact. energy: 1.630
local terms energy: -491.815085
where:
bonds (distance) C4'-P energy: -116.396
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -117.953
flat angles P-C4'-P energy: -65.246
tors. eta vs tors. theta energy: -77.857
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: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -962.692860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.692860 (E_RNA)
where:
Base-Base interactions energy: -533.053
where: short stacking energy: -268.661
Base-Backbone interact. energy: -0.435
local terms energy: -429.205301
where:
bonds (distance) C4'-P energy: -112.411
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -109.844
flat angles P-C4'-P energy: -69.325
tors. eta vs tors. theta energy: -35.786
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: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -795.138283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.138283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.138283 (E_RNA)
where:
Base-Base interactions energy: -423.559
where: short stacking energy: -248.756
Base-Backbone interact. energy: -1.921
local terms energy: -369.657494
where:
bonds (distance) C4'-P energy: -88.893
bonds (distance) P-C4' energy: -108.680
flat angles C4'-P-C4' energy: -85.623
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -37.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -606.464704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.464704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.464704 (E_RNA)
where:
Base-Base interactions energy: -243.510
where: short stacking energy: -157.107
Base-Backbone interact. energy: 0.889
local terms energy: -363.843870
where:
bonds (distance) C4'-P energy: -104.307
bonds (distance) P-C4' energy: -120.248
flat angles C4'-P-C4' energy: -88.592
flat angles P-C4'-P energy: -47.790
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2187.888738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.888738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.888738 (E_RNA)
where:
Base-Base interactions energy: -1472.503
where: short stacking energy: -652.417
Base-Backbone interact. energy: -1.284
local terms energy: -714.101809
where:
bonds (distance) C4'-P energy: -128.327
bonds (distance) P-C4' energy: -127.754
flat angles C4'-P-C4' energy: -149.747
flat angles P-C4'-P energy: -100.296
tors. eta vs tors. theta energy: -207.977
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: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2029.066026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.066026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.066026 (E_RNA)
where:
Base-Base interactions energy: -1376.690
where: short stacking energy: -592.638
Base-Backbone interact. energy: -6.450
local terms energy: -645.926235
where:
bonds (distance) C4'-P energy: -127.484
bonds (distance) P-C4' energy: -124.237
flat angles C4'-P-C4' energy: -136.133
flat angles P-C4'-P energy: -86.873
tors. eta vs tors. theta energy: -171.199
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: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1941.941783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.941783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.941783 (E_RNA)
where:
Base-Base interactions energy: -1311.033
where: short stacking energy: -551.954
Base-Backbone interact. energy: -3.427
local terms energy: -627.481018
where:
bonds (distance) C4'-P energy: -116.646
bonds (distance) P-C4' energy: -123.344
flat angles C4'-P-C4' energy: -144.479
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -165.246
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: 298
Temperature: 1.050000
Total energy: -1875.717445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.717445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.717445 (E_RNA)
where:
Base-Base interactions energy: -1298.769
where: short stacking energy: -547.558
Base-Backbone interact. energy: 0.179
local terms energy: -577.126817
where:
bonds (distance) C4'-P energy: -113.079
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -122.891
flat angles P-C4'-P energy: -83.747
tors. eta vs tors. theta energy: -141.911
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: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1648.277939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.277939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.277939 (E_RNA)
where:
Base-Base interactions energy: -1072.302
where: short stacking energy: -482.789
Base-Backbone interact. energy: -3.761
local terms energy: -572.214762
where:
bonds (distance) C4'-P energy: -128.943
bonds (distance) P-C4' energy: -109.310
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -75.693
tors. eta vs tors. theta energy: -139.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1490.358712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.358712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.358712 (E_RNA)
where:
Base-Base interactions energy: -952.554
where: short stacking energy: -443.246
Base-Backbone interact. energy: -1.241
local terms energy: -536.564287
where:
bonds (distance) C4'-P energy: -103.786
bonds (distance) P-C4' energy: -120.147
flat angles C4'-P-C4' energy: -122.170
flat angles P-C4'-P energy: -82.258
tors. eta vs tors. theta energy: -108.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1228.356561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.356561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.356561 (E_RNA)
where:
Base-Base interactions energy: -741.746
where: short stacking energy: -371.430
Base-Backbone interact. energy: -2.641
local terms energy: -483.969964
where:
bonds (distance) C4'-P energy: -101.676
bonds (distance) P-C4' energy: -125.049
flat angles C4'-P-C4' energy: -112.022
flat angles P-C4'-P energy: -64.371
tors. eta vs tors. theta energy: -80.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -913.288253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.288253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.288253 (E_RNA)
where:
Base-Base interactions energy: -493.312
where: short stacking energy: -268.986
Base-Backbone interact. energy: 3.770
local terms energy: -423.745646
where:
bonds (distance) C4'-P energy: -124.810
bonds (distance) P-C4' energy: -101.864
flat angles C4'-P-C4' energy: -98.765
flat angles P-C4'-P energy: -74.080
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -790.708509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.708509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.708509 (E_RNA)
where:
Base-Base interactions energy: -423.057
where: short stacking energy: -257.887
Base-Backbone interact. energy: -0.963
local terms energy: -366.688547
where:
bonds (distance) C4'-P energy: -89.876
bonds (distance) P-C4' energy: -102.381
flat angles C4'-P-C4' energy: -97.474
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -590.872202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.872202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.872202 (E_RNA)
where:
Base-Base interactions energy: -261.373
where: short stacking energy: -174.127
Base-Backbone interact. energy: 2.504
local terms energy: -332.003320
where:
bonds (distance) C4'-P energy: -92.000
bonds (distance) P-C4' energy: -109.943
flat angles C4'-P-C4' energy: -89.985
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: 3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2180.829415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.829415 (E_RNA)
where:
Base-Base interactions energy: -1489.255
where: short stacking energy: -662.233
Base-Backbone interact. energy: -2.721
local terms energy: -688.853286
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -126.866
flat angles C4'-P-C4' energy: -147.655
flat angles P-C4'-P energy: -80.744
tors. eta vs tors. theta energy: -204.863
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2006.007015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.007015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.007015 (E_RNA)
where:
Base-Base interactions energy: -1383.436
where: short stacking energy: -570.251
Base-Backbone interact. energy: -3.290
local terms energy: -619.280567
where:
bonds (distance) C4'-P energy: -115.554
bonds (distance) P-C4' energy: -118.138
flat angles C4'-P-C4' energy: -127.568
flat angles P-C4'-P energy: -104.350
tors. eta vs tors. theta energy: -153.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1939.720434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.720434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.720434 (E_RNA)
where:
Base-Base interactions energy: -1334.703
where: short stacking energy: -571.083
Base-Backbone interact. energy: -2.971
local terms energy: -602.046485
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -105.861
flat angles C4'-P-C4' energy: -136.388
flat angles P-C4'-P energy: -94.098
tors. eta vs tors. theta energy: -159.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1860.354401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.354401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.354401 (E_RNA)
where:
Base-Base interactions energy: -1283.710
where: short stacking energy: -525.212
Base-Backbone interact. energy: 0.896
local terms energy: -577.540040
where:
bonds (distance) C4'-P energy: -111.205
bonds (distance) P-C4' energy: -115.890
flat angles C4'-P-C4' energy: -124.804
flat angles P-C4'-P energy: -93.387
tors. eta vs tors. theta energy: -132.254
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: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1658.421018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.421018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.421018 (E_RNA)
where:
Base-Base interactions energy: -1055.934
where: short stacking energy: -504.251
Base-Backbone interact. energy: 0.098
local terms energy: -602.584809
where:
bonds (distance) C4'-P energy: -126.873
bonds (distance) P-C4' energy: -117.971
flat angles C4'-P-C4' energy: -140.559
flat angles P-C4'-P energy: -82.316
tors. eta vs tors. theta energy: -134.866
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: 299
Temperature: 1.150000
Total energy: -1448.619742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.619742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.619742 (E_RNA)
where:
Base-Base interactions energy: -926.741
where: short stacking energy: -415.114
Base-Backbone interact. energy: 1.433
local terms energy: -523.311925
where:
bonds (distance) C4'-P energy: -102.577
bonds (distance) P-C4' energy: -110.831
flat angles C4'-P-C4' energy: -126.381
flat angles P-C4'-P energy: -75.552
tors. eta vs tors. theta energy: -107.971
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: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1205.100812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.100812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.100812 (E_RNA)
where:
Base-Base interactions energy: -714.303
where: short stacking energy: -356.355
Base-Backbone interact. energy: 0.030
local terms energy: -490.827760
where:
bonds (distance) C4'-P energy: -102.654
bonds (distance) P-C4' energy: -112.388
flat angles C4'-P-C4' energy: -117.469
flat angles P-C4'-P energy: -77.487
tors. eta vs tors. theta energy: -80.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -876.376004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.376004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.376004 (E_RNA)
where:
Base-Base interactions energy: -495.118
where: short stacking energy: -252.232
Base-Backbone interact. energy: 2.241
local terms energy: -383.499039
where:
bonds (distance) C4'-P energy: -115.843
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -101.073
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -838.693053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.693053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.693053 (E_RNA)
where:
Base-Base interactions energy: -462.080
where: short stacking energy: -229.786
Base-Backbone interact. energy: 0.664
local terms energy: -377.277344
where:
bonds (distance) C4'-P energy: -91.725
bonds (distance) P-C4' energy: -106.348
flat angles C4'-P-C4' energy: -109.175
flat angles P-C4'-P energy: -57.903
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -569.730560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.730560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.730560 (E_RNA)
where:
Base-Base interactions energy: -259.051
where: short stacking energy: -157.266
Base-Backbone interact. energy: -1.509
local terms energy: -309.169926
where:
bonds (distance) C4'-P energy: -89.133
bonds (distance) P-C4' energy: -103.769
flat angles C4'-P-C4' energy: -81.510
flat angles P-C4'-P energy: -52.771
tors. eta vs tors. theta energy: 18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2169.188610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.188610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.188610 (E_RNA)
where:
Base-Base interactions energy: -1477.410
where: short stacking energy: -659.395
Base-Backbone interact. energy: -4.478
local terms energy: -687.300120
where:
bonds (distance) C4'-P energy: -122.546
bonds (distance) P-C4' energy: -122.409
flat angles C4'-P-C4' energy: -141.065
flat angles P-C4'-P energy: -95.881
tors. eta vs tors. theta energy: -205.399
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: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2065.668040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.668040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.668040 (E_RNA)
where:
Base-Base interactions energy: -1439.943
where: short stacking energy: -578.470
Base-Backbone interact. energy: -4.694
local terms energy: -621.030296
where:
bonds (distance) C4'-P energy: -110.782
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -140.056
flat angles P-C4'-P energy: -76.383
tors. eta vs tors. theta energy: -167.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1953.719283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.719283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.719283 (E_RNA)
where:
Base-Base interactions energy: -1317.198
where: short stacking energy: -552.802
Base-Backbone interact. energy: 0.268
local terms energy: -636.789828
where:
bonds (distance) C4'-P energy: -125.790
bonds (distance) P-C4' energy: -119.615
flat angles C4'-P-C4' energy: -137.943
flat angles P-C4'-P energy: -91.199
tors. eta vs tors. theta energy: -162.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1872.358230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.358230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.358230 (E_RNA)
where:
Base-Base interactions energy: -1290.008
where: short stacking energy: -538.543
Base-Backbone interact. energy: -3.988
local terms energy: -578.362662
where:
bonds (distance) C4'-P energy: -123.232
bonds (distance) P-C4' energy: -119.077
flat angles C4'-P-C4' energy: -124.171
flat angles P-C4'-P energy: -71.200
tors. eta vs tors. theta energy: -140.683
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1697.167543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.167543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.167543 (E_RNA)
where:
Base-Base interactions energy: -1130.659
where: short stacking energy: -503.464
Base-Backbone interact. energy: 1.467
local terms energy: -567.976117
where:
bonds (distance) C4'-P energy: -110.586
bonds (distance) P-C4' energy: -118.397
flat angles C4'-P-C4' energy: -113.094
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -142.957
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: 300
Temperature: 1.150000
Total energy: -1476.765765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.765765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.765765 (E_RNA)
where:
Base-Base interactions energy: -959.624
where: short stacking energy: -452.309
Base-Backbone interact. energy: 3.085
local terms energy: -520.226254
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -114.189
flat angles C4'-P-C4' energy: -106.635
flat angles P-C4'-P energy: -76.468
tors. eta vs tors. theta energy: -112.591
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: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1228.123877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.123877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.123877 (E_RNA)
where:
Base-Base interactions energy: -749.046
where: short stacking energy: -359.416
Base-Backbone interact. energy: 3.265
local terms energy: -482.342614
where:
bonds (distance) C4'-P energy: -116.804
bonds (distance) P-C4' energy: -118.827
flat angles C4'-P-C4' energy: -95.154
flat angles P-C4'-P energy: -77.190
tors. eta vs tors. theta energy: -74.368
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: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -918.462008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.462008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.462008 (E_RNA)
where:
Base-Base interactions energy: -554.622
where: short stacking energy: -284.769
Base-Backbone interact. energy: -4.266
local terms energy: -359.574249
where:
bonds (distance) C4'-P energy: -105.093
bonds (distance) P-C4' energy: -97.543
flat angles C4'-P-C4' energy: -84.342
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -33.660
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -813.240211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.240211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.240211 (E_RNA)
where:
Base-Base interactions energy: -417.478
where: short stacking energy: -223.000
Base-Backbone interact. energy: 0.247
local terms energy: -396.008976
where:
bonds (distance) C4'-P energy: -100.710
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -101.574
flat angles P-C4'-P energy: -66.097
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -556.103946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.103946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.103946 (E_RNA)
where:
Base-Base interactions energy: -258.568
where: short stacking energy: -190.164
Base-Backbone interact. energy: -3.061
local terms energy: -294.474448
where:
bonds (distance) C4'-P energy: -94.675
bonds (distance) P-C4' energy: -85.683
flat angles C4'-P-C4' energy: -90.110
flat angles P-C4'-P energy: -44.826
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2194.470707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.470707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.470707 (E_RNA)
where:
Base-Base interactions energy: -1486.919
where: short stacking energy: -657.218
Base-Backbone interact. energy: -1.328
local terms energy: -706.224199
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -129.596
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -101.038
tors. eta vs tors. theta energy: -210.006
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2044.414412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.414412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.414412 (E_RNA)
where:
Base-Base interactions energy: -1412.995
where: short stacking energy: -594.688
Base-Backbone interact. energy: 0.407
local terms energy: -631.826160
where:
bonds (distance) C4'-P energy: -131.082
bonds (distance) P-C4' energy: -121.571
flat angles C4'-P-C4' energy: -135.895
flat angles P-C4'-P energy: -83.510
tors. eta vs tors. theta energy: -159.768
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: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1967.815748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.815748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.815748 (E_RNA)
where:
Base-Base interactions energy: -1342.167
where: short stacking energy: -568.544
Base-Backbone interact. energy: -1.704
local terms energy: -623.945067
where:
bonds (distance) C4'-P energy: -126.154
bonds (distance) P-C4' energy: -93.116
flat angles C4'-P-C4' energy: -140.710
flat angles P-C4'-P energy: -88.509
tors. eta vs tors. theta energy: -175.456
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: 301
Temperature: 1.050000
Total energy: -1899.411395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.411395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.411395 (E_RNA)
where:
Base-Base interactions energy: -1320.398
where: short stacking energy: -544.765
Base-Backbone interact. energy: 0.397
local terms energy: -579.410467
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -122.410
flat angles C4'-P-C4' energy: -128.736
flat angles P-C4'-P energy: -76.148
tors. eta vs tors. theta energy: -152.237
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1720.707212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.707212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.707212 (E_RNA)
where:
Base-Base interactions energy: -1160.061
where: short stacking energy: -507.706
Base-Backbone interact. energy: -2.981
local terms energy: -557.665744
where:
bonds (distance) C4'-P energy: -113.094
bonds (distance) P-C4' energy: -111.781
flat angles C4'-P-C4' energy: -118.011
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -148.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1497.040352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.040352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.040352 (E_RNA)
where:
Base-Base interactions energy: -939.183
where: short stacking energy: -447.031
Base-Backbone interact. energy: -1.484
local terms energy: -556.373453
where:
bonds (distance) C4'-P energy: -103.854
bonds (distance) P-C4' energy: -132.891
flat angles C4'-P-C4' energy: -126.075
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -117.510
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1233.475594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.475594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.475594 (E_RNA)
where:
Base-Base interactions energy: -818.664
where: short stacking energy: -391.801
Base-Backbone interact. energy: -0.622
local terms energy: -414.190102
where:
bonds (distance) C4'-P energy: -73.934
bonds (distance) P-C4' energy: -93.361
flat angles C4'-P-C4' energy: -111.090
flat angles P-C4'-P energy: -55.859
tors. eta vs tors. theta energy: -79.947
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: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -887.630732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.630732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.630732 (E_RNA)
where:
Base-Base interactions energy: -521.574
where: short stacking energy: -242.538
Base-Backbone interact. energy: 1.937
local terms energy: -367.993548
where:
bonds (distance) C4'-P energy: -94.270
bonds (distance) P-C4' energy: -108.836
flat angles C4'-P-C4' energy: -97.470
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -879.750459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.750459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.750459 (E_RNA)
where:
Base-Base interactions energy: -505.821
where: short stacking energy: -265.441
Base-Backbone interact. energy: -0.183
local terms energy: -373.746130
where:
bonds (distance) C4'-P energy: -98.460
bonds (distance) P-C4' energy: -105.026
flat angles C4'-P-C4' energy: -101.739
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -590.587530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.587530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.587530 (E_RNA)
where:
Base-Base interactions energy: -293.816
where: short stacking energy: -176.974
Base-Backbone interact. energy: 1.623
local terms energy: -298.394691
where:
bonds (distance) C4'-P energy: -101.112
bonds (distance) P-C4' energy: -92.584
flat angles C4'-P-C4' energy: -90.983
flat angles P-C4'-P energy: -38.028
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: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2212.463989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.463989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.463989 (E_RNA)
where:
Base-Base interactions energy: -1518.873
where: short stacking energy: -679.819
Base-Backbone interact. energy: -1.384
local terms energy: -692.206727
where:
bonds (distance) C4'-P energy: -124.612
bonds (distance) P-C4' energy: -121.998
flat angles C4'-P-C4' energy: -148.125
flat angles P-C4'-P energy: -90.252
tors. eta vs tors. theta energy: -207.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2016.300279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.300279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.300279 (E_RNA)
where:
Base-Base interactions energy: -1406.701
where: short stacking energy: -578.593
Base-Backbone interact. energy: -1.354
local terms energy: -608.245394
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -106.852
flat angles C4'-P-C4' energy: -129.740
flat angles P-C4'-P energy: -86.106
tors. eta vs tors. theta energy: -163.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1996.621717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.621717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.621717 (E_RNA)
where:
Base-Base interactions energy: -1374.841
where: short stacking energy: -599.875
Base-Backbone interact. energy: -2.578
local terms energy: -619.202620
where:
bonds (distance) C4'-P energy: -117.216
bonds (distance) P-C4' energy: -122.337
flat angles C4'-P-C4' energy: -133.684
flat angles P-C4'-P energy: -85.761
tors. eta vs tors. theta energy: -160.204
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: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1987.762495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.762495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.762495 (E_RNA)
where:
Base-Base interactions energy: -1378.965
where: short stacking energy: -563.519
Base-Backbone interact. energy: -2.924
local terms energy: -605.873118
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -130.059
flat angles P-C4'-P energy: -73.121
tors. eta vs tors. theta energy: -165.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1681.969128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.969128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.969128 (E_RNA)
where:
Base-Base interactions energy: -1119.485
where: short stacking energy: -492.132
Base-Backbone interact. energy: -3.110
local terms energy: -559.374491
where:
bonds (distance) C4'-P energy: -95.418
bonds (distance) P-C4' energy: -118.181
flat angles C4'-P-C4' energy: -128.971
flat angles P-C4'-P energy: -70.580
tors. eta vs tors. theta energy: -146.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1512.528878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.528878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.528878 (E_RNA)
where:
Base-Base interactions energy: -979.840
where: short stacking energy: -462.804
Base-Backbone interact. energy: 0.288
local terms energy: -532.977242
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -113.380
flat angles C4'-P-C4' energy: -111.002
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -124.236
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: 302
Temperature: 1.200000
Total energy: -1222.681696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.681696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.681696 (E_RNA)
where:
Base-Base interactions energy: -774.497
where: short stacking energy: -360.062
Base-Backbone interact. energy: -3.289
local terms energy: -444.895555
where:
bonds (distance) C4'-P energy: -103.658
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -108.684
flat angles P-C4'-P energy: -72.053
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -841.898548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.898548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.898548 (E_RNA)
where:
Base-Base interactions energy: -473.332
where: short stacking energy: -252.056
Base-Backbone interact. energy: -0.050
local terms energy: -368.517087
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -113.254
flat angles C4'-P-C4' energy: -96.113
flat angles P-C4'-P energy: -53.059
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -904.900277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.900277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.900277 (E_RNA)
where:
Base-Base interactions energy: -503.008
where: short stacking energy: -262.849
Base-Backbone interact. energy: 5.359
local terms energy: -407.250578
where:
bonds (distance) C4'-P energy: -112.624
bonds (distance) P-C4' energy: -104.734
flat angles C4'-P-C4' energy: -98.107
flat angles P-C4'-P energy: -50.447
tors. eta vs tors. theta energy: -41.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -648.559805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.559805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.559805 (E_RNA)
where:
Base-Base interactions energy: -291.452
where: short stacking energy: -160.313
Base-Backbone interact. energy: 7.837
local terms energy: -364.945210
where:
bonds (distance) C4'-P energy: -132.425
bonds (distance) P-C4' energy: -97.515
flat angles C4'-P-C4' energy: -85.806
flat angles P-C4'-P energy: -65.562
tors. eta vs tors. theta energy: 16.364
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: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2199.376569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.376569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.376569 (E_RNA)
where:
Base-Base interactions energy: -1513.893
where: short stacking energy: -654.947
Base-Backbone interact. energy: -3.674
local terms energy: -681.809137
where:
bonds (distance) C4'-P energy: -116.324
bonds (distance) P-C4' energy: -126.308
flat angles C4'-P-C4' energy: -143.056
flat angles P-C4'-P energy: -92.428
tors. eta vs tors. theta energy: -203.692
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: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2034.106541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.106541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.106541 (E_RNA)
where:
Base-Base interactions energy: -1390.162
where: short stacking energy: -575.294
Base-Backbone interact. energy: -4.627
local terms energy: -639.316542
where:
bonds (distance) C4'-P energy: -123.607
bonds (distance) P-C4' energy: -134.013
flat angles C4'-P-C4' energy: -130.915
flat angles P-C4'-P energy: -91.857
tors. eta vs tors. theta energy: -158.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1994.109073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.109073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.109073 (E_RNA)
where:
Base-Base interactions energy: -1398.951
where: short stacking energy: -585.056
Base-Backbone interact. energy: -0.800
local terms energy: -594.357724
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -114.007
flat angles C4'-P-C4' energy: -132.262
flat angles P-C4'-P energy: -77.206
tors. eta vs tors. theta energy: -160.402
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1904.712293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.712293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.712293 (E_RNA)
where:
Base-Base interactions energy: -1281.439
where: short stacking energy: -536.010
Base-Backbone interact. energy: -3.536
local terms energy: -619.737304
where:
bonds (distance) C4'-P energy: -113.913
bonds (distance) P-C4' energy: -116.900
flat angles C4'-P-C4' energy: -134.932
flat angles P-C4'-P energy: -94.949
tors. eta vs tors. theta energy: -159.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1687.271140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.271140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.271140 (E_RNA)
where:
Base-Base interactions energy: -1118.611
where: short stacking energy: -478.050
Base-Backbone interact. energy: -0.188
local terms energy: -568.472793
where:
bonds (distance) C4'-P energy: -120.311
bonds (distance) P-C4' energy: -119.157
flat angles C4'-P-C4' energy: -123.818
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -136.159
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: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1472.282713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.282713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.282713 (E_RNA)
where:
Base-Base interactions energy: -950.675
where: short stacking energy: -450.573
Base-Backbone interact. energy: -3.166
local terms energy: -518.441745
where:
bonds (distance) C4'-P energy: -105.696
bonds (distance) P-C4' energy: -110.506
flat angles C4'-P-C4' energy: -122.275
flat angles P-C4'-P energy: -72.136
tors. eta vs tors. theta energy: -107.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1217.342082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.342082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.342082 (E_RNA)
where:
Base-Base interactions energy: -740.154
where: short stacking energy: -336.374
Base-Backbone interact. energy: 4.919
local terms energy: -482.106903
where:
bonds (distance) C4'-P energy: -113.320
bonds (distance) P-C4' energy: -116.700
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -78.838
tors. eta vs tors. theta energy: -60.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -953.444916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.444916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.444916 (E_RNA)
where:
Base-Base interactions energy: -539.217
where: short stacking energy: -282.656
Base-Backbone interact. energy: 6.224
local terms energy: -420.452151
where:
bonds (distance) C4'-P energy: -97.168
bonds (distance) P-C4' energy: -123.958
flat angles C4'-P-C4' energy: -92.101
flat angles P-C4'-P energy: -64.060
tors. eta vs tors. theta energy: -43.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -822.982153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.982153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.982153 (E_RNA)
where:
Base-Base interactions energy: -444.931
where: short stacking energy: -225.010
Base-Backbone interact. energy: -2.478
local terms energy: -375.573208
where:
bonds (distance) C4'-P energy: -114.594
bonds (distance) P-C4' energy: -116.540
flat angles C4'-P-C4' energy: -77.702
flat angles P-C4'-P energy: -63.570
tors. eta vs tors. theta energy: -3.168
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: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -689.767665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.767665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.767665 (E_RNA)
where:
Base-Base interactions energy: -350.157
where: short stacking energy: -217.309
Base-Backbone interact. energy: 1.113
local terms energy: -340.723099
where:
bonds (distance) C4'-P energy: -90.950
bonds (distance) P-C4' energy: -100.603
flat angles C4'-P-C4' energy: -91.033
flat angles P-C4'-P energy: -67.337
tors. eta vs tors. theta energy: 9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2200.434141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.434141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.434141 (E_RNA)
where:
Base-Base interactions energy: -1511.378
where: short stacking energy: -663.580
Base-Backbone interact. energy: -0.616
local terms energy: -688.440185
where:
bonds (distance) C4'-P energy: -106.727
bonds (distance) P-C4' energy: -122.643
flat angles C4'-P-C4' energy: -150.087
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -214.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2054.819458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.819458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.819458 (E_RNA)
where:
Base-Base interactions energy: -1409.731
where: short stacking energy: -574.488
Base-Backbone interact. energy: -4.806
local terms energy: -640.282521
where:
bonds (distance) C4'-P energy: -122.566
bonds (distance) P-C4' energy: -139.906
flat angles C4'-P-C4' energy: -129.341
flat angles P-C4'-P energy: -100.857
tors. eta vs tors. theta energy: -147.613
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1988.615580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.615580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.615580 (E_RNA)
where:
Base-Base interactions energy: -1396.935
where: short stacking energy: -611.140
Base-Backbone interact. energy: -3.991
local terms energy: -587.689597
where:
bonds (distance) C4'-P energy: -113.361
bonds (distance) P-C4' energy: -106.294
flat angles C4'-P-C4' energy: -129.760
flat angles P-C4'-P energy: -78.289
tors. eta vs tors. theta energy: -159.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1876.310602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.310602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.310602 (E_RNA)
where:
Base-Base interactions energy: -1287.016
where: short stacking energy: -545.271
Base-Backbone interact. energy: -0.709
local terms energy: -588.585984
where:
bonds (distance) C4'-P energy: -96.744
bonds (distance) P-C4' energy: -115.423
flat angles C4'-P-C4' energy: -125.376
flat angles P-C4'-P energy: -97.230
tors. eta vs tors. theta energy: -153.812
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: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1609.564069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.564069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.564069 (E_RNA)
where:
Base-Base interactions energy: -1054.586
where: short stacking energy: -466.240
Base-Backbone interact. energy: -4.556
local terms energy: -550.422419
where:
bonds (distance) C4'-P energy: -119.305
bonds (distance) P-C4' energy: -106.479
flat angles C4'-P-C4' energy: -123.978
flat angles P-C4'-P energy: -83.047
tors. eta vs tors. theta energy: -117.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1532.353064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.353064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.353064 (E_RNA)
where:
Base-Base interactions energy: -984.617
where: short stacking energy: -437.415
Base-Backbone interact. energy: -3.359
local terms energy: -544.377643
where:
bonds (distance) C4'-P energy: -122.576
bonds (distance) P-C4' energy: -111.707
flat angles C4'-P-C4' energy: -116.313
flat angles P-C4'-P energy: -76.781
tors. eta vs tors. theta energy: -117.000
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1319.091085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.091085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.091085 (E_RNA)
where:
Base-Base interactions energy: -843.374
where: short stacking energy: -392.725
Base-Backbone interact. energy: 0.089
local terms energy: -475.806786
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -113.920
flat angles C4'-P-C4' energy: -119.520
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -87.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -905.002335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.002335 (E_RNA)
where:
Base-Base interactions energy: -488.647
where: short stacking energy: -255.847
Base-Backbone interact. energy: 2.640
local terms energy: -418.995289
where:
bonds (distance) C4'-P energy: -110.951
bonds (distance) P-C4' energy: -123.469
flat angles C4'-P-C4' energy: -88.347
flat angles P-C4'-P energy: -67.538
tors. eta vs tors. theta energy: -28.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -827.316990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.316990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.316990 (E_RNA)
where:
Base-Base interactions energy: -461.408
where: short stacking energy: -200.467
Base-Backbone interact. energy: -3.008
local terms energy: -362.900619
where:
bonds (distance) C4'-P energy: -94.939
bonds (distance) P-C4' energy: -114.258
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: 12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -625.618651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.618651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.618651 (E_RNA)
where:
Base-Base interactions energy: -337.541
where: short stacking energy: -188.499
Base-Backbone interact. energy: 2.332
local terms energy: -290.410117
where:
bonds (distance) C4'-P energy: -96.813
bonds (distance) P-C4' energy: -92.452
flat angles C4'-P-C4' energy: -74.247
flat angles P-C4'-P energy: -33.654
tors. eta vs tors. theta energy: 6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2194.687969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.687969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.687969 (E_RNA)
where:
Base-Base interactions energy: -1505.199
where: short stacking energy: -659.697
Base-Backbone interact. energy: -3.203
local terms energy: -686.286616
where:
bonds (distance) C4'-P energy: -122.399
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -150.039
flat angles P-C4'-P energy: -89.546
tors. eta vs tors. theta energy: -210.223
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2046.417186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.417186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.417186 (E_RNA)
where:
Base-Base interactions energy: -1403.739
where: short stacking energy: -610.798
Base-Backbone interact. energy: -4.203
local terms energy: -638.474912
where:
bonds (distance) C4'-P energy: -126.902
bonds (distance) P-C4' energy: -111.775
flat angles C4'-P-C4' energy: -145.155
flat angles P-C4'-P energy: -86.610
tors. eta vs tors. theta energy: -168.034
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1955.763713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.763713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.763713 (E_RNA)
where:
Base-Base interactions energy: -1384.211
where: short stacking energy: -550.778
Base-Backbone interact. energy: -1.470
local terms energy: -570.083229
where:
bonds (distance) C4'-P energy: -98.147
bonds (distance) P-C4' energy: -120.449
flat angles C4'-P-C4' energy: -133.055
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -138.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1908.461046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.461046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.461046 (E_RNA)
where:
Base-Base interactions energy: -1297.135
where: short stacking energy: -496.533
Base-Backbone interact. energy: 0.823
local terms energy: -612.149248
where:
bonds (distance) C4'-P energy: -114.251
bonds (distance) P-C4' energy: -118.128
flat angles C4'-P-C4' energy: -133.520
flat angles P-C4'-P energy: -87.808
tors. eta vs tors. theta energy: -158.442
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: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1634.721294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.721294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.721294 (E_RNA)
where:
Base-Base interactions energy: -1094.196
where: short stacking energy: -493.403
Base-Backbone interact. energy: 1.527
local terms energy: -542.052157
where:
bonds (distance) C4'-P energy: -124.990
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -113.634
flat angles P-C4'-P energy: -86.810
tors. eta vs tors. theta energy: -120.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1536.741154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.741154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.741154 (E_RNA)
where:
Base-Base interactions energy: -991.958
where: short stacking energy: -433.531
Base-Backbone interact. energy: -2.241
local terms energy: -542.541945
where:
bonds (distance) C4'-P energy: -117.669
bonds (distance) P-C4' energy: -111.389
flat angles C4'-P-C4' energy: -121.100
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -116.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1309.098344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.098344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.098344 (E_RNA)
where:
Base-Base interactions energy: -852.802
where: short stacking energy: -364.630
Base-Backbone interact. energy: 7.924
local terms energy: -464.219992
where:
bonds (distance) C4'-P energy: -101.056
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -115.030
flat angles P-C4'-P energy: -56.558
tors. eta vs tors. theta energy: -82.424
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -888.890979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.890979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.890979 (E_RNA)
where:
Base-Base interactions energy: -500.363
where: short stacking energy: -273.058
Base-Backbone interact. energy: 2.586
local terms energy: -391.113970
where:
bonds (distance) C4'-P energy: -108.916
bonds (distance) P-C4' energy: -108.794
flat angles C4'-P-C4' energy: -93.779
flat angles P-C4'-P energy: -53.377
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -813.995061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.995061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.995061 (E_RNA)
where:
Base-Base interactions energy: -438.711
where: short stacking energy: -211.989
Base-Backbone interact. energy: 2.357
local terms energy: -377.641577
where:
bonds (distance) C4'-P energy: -89.254
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -114.057
flat angles P-C4'-P energy: -57.700
tors. eta vs tors. theta energy: -9.901
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: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -656.720751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.720751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.720751 (E_RNA)
where:
Base-Base interactions energy: -308.615
where: short stacking energy: -158.038
Base-Backbone interact. energy: 3.391
local terms energy: -351.496689
where:
bonds (distance) C4'-P energy: -95.989
bonds (distance) P-C4' energy: -122.279
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2216.347427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.347427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.347427 (E_RNA)
where:
Base-Base interactions energy: -1504.052
where: short stacking energy: -652.377
Base-Backbone interact. energy: -3.689
local terms energy: -708.606268
where:
bonds (distance) C4'-P energy: -123.095
bonds (distance) P-C4' energy: -129.859
flat angles C4'-P-C4' energy: -153.368
flat angles P-C4'-P energy: -101.227
tors. eta vs tors. theta energy: -201.057
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2054.317930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.317930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.317930 (E_RNA)
where:
Base-Base interactions energy: -1419.175
where: short stacking energy: -584.323
Base-Backbone interact. energy: -1.602
local terms energy: -633.541030
where:
bonds (distance) C4'-P energy: -125.415
bonds (distance) P-C4' energy: -133.866
flat angles C4'-P-C4' energy: -136.960
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -153.761
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1950.145648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.145648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.145648 (E_RNA)
where:
Base-Base interactions energy: -1358.263
where: short stacking energy: -569.958
Base-Backbone interact. energy: -2.975
local terms energy: -588.907804
where:
bonds (distance) C4'-P energy: -110.707
bonds (distance) P-C4' energy: -124.538
flat angles C4'-P-C4' energy: -127.294
flat angles P-C4'-P energy: -70.665
tors. eta vs tors. theta energy: -155.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1932.344649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.344649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.344649 (E_RNA)
where:
Base-Base interactions energy: -1322.341
where: short stacking energy: -549.896
Base-Backbone interact. energy: -5.098
local terms energy: -604.904931
where:
bonds (distance) C4'-P energy: -119.614
bonds (distance) P-C4' energy: -107.652
flat angles C4'-P-C4' energy: -136.590
flat angles P-C4'-P energy: -85.730
tors. eta vs tors. theta energy: -155.319
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: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1605.816093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.816093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.816093 (E_RNA)
where:
Base-Base interactions energy: -1036.280
where: short stacking energy: -495.854
Base-Backbone interact. energy: -2.668
local terms energy: -566.868035
where:
bonds (distance) C4'-P energy: -124.974
bonds (distance) P-C4' energy: -109.988
flat angles C4'-P-C4' energy: -128.165
flat angles P-C4'-P energy: -74.052
tors. eta vs tors. theta energy: -129.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1616.021417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.021417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.021417 (E_RNA)
where:
Base-Base interactions energy: -1075.738
where: short stacking energy: -505.233
Base-Backbone interact. energy: 1.767
local terms energy: -542.049718
where:
bonds (distance) C4'-P energy: -107.524
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -132.142
flat angles P-C4'-P energy: -73.116
tors. eta vs tors. theta energy: -128.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1349.511980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.511980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.511980 (E_RNA)
where:
Base-Base interactions energy: -863.327
where: short stacking energy: -412.724
Base-Backbone interact. energy: -3.744
local terms energy: -482.441017
where:
bonds (distance) C4'-P energy: -95.898
bonds (distance) P-C4' energy: -103.169
flat angles C4'-P-C4' energy: -114.335
flat angles P-C4'-P energy: -72.373
tors. eta vs tors. theta energy: -96.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -892.901526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.901526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.901526 (E_RNA)
where:
Base-Base interactions energy: -497.094
where: short stacking energy: -261.541
Base-Backbone interact. energy: -3.447
local terms energy: -392.360366
where:
bonds (distance) C4'-P energy: -111.336
bonds (distance) P-C4' energy: -115.045
flat angles C4'-P-C4' energy: -84.230
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -36.879
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: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -708.816477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.816477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.816477 (E_RNA)
where:
Base-Base interactions energy: -337.554
where: short stacking energy: -195.846
Base-Backbone interact. energy: -0.561
local terms energy: -370.701208
where:
bonds (distance) C4'-P energy: -121.005
bonds (distance) P-C4' energy: -102.027
flat angles C4'-P-C4' energy: -93.206
flat angles P-C4'-P energy: -48.982
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: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -760.002496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.002496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.002496 (E_RNA)
where:
Base-Base interactions energy: -380.362
where: short stacking energy: -211.246
Base-Backbone interact. energy: -0.736
local terms energy: -378.904907
where:
bonds (distance) C4'-P energy: -107.973
bonds (distance) P-C4' energy: -114.583
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2199.565748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.565748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.565748 (E_RNA)
where:
Base-Base interactions energy: -1509.836
where: short stacking energy: -652.030
Base-Backbone interact. energy: -1.040
local terms energy: -688.690420
where:
bonds (distance) C4'-P energy: -118.191
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -157.691
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -201.483
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: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2092.551316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.551316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.551316 (E_RNA)
where:
Base-Base interactions energy: -1441.833
where: short stacking energy: -628.631
Base-Backbone interact. energy: -5.098
local terms energy: -645.620262
where:
bonds (distance) C4'-P energy: -104.543
bonds (distance) P-C4' energy: -125.775
flat angles C4'-P-C4' energy: -148.925
flat angles P-C4'-P energy: -97.134
tors. eta vs tors. theta energy: -169.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2025.735225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.735225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.735225 (E_RNA)
where:
Base-Base interactions energy: -1372.982
where: short stacking energy: -583.400
Base-Backbone interact. energy: -5.080
local terms energy: -647.673915
where:
bonds (distance) C4'-P energy: -128.498
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -141.463
flat angles P-C4'-P energy: -87.944
tors. eta vs tors. theta energy: -164.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1924.579867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.579867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.579867 (E_RNA)
where:
Base-Base interactions energy: -1320.658
where: short stacking energy: -536.698
Base-Backbone interact. energy: -2.700
local terms energy: -601.222306
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -109.219
flat angles C4'-P-C4' energy: -133.170
flat angles P-C4'-P energy: -87.285
tors. eta vs tors. theta energy: -165.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1564.103768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.103768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.103768 (E_RNA)
where:
Base-Base interactions energy: -1038.114
where: short stacking energy: -456.958
Base-Backbone interact. energy: -1.393
local terms energy: -524.597048
where:
bonds (distance) C4'-P energy: -110.827
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -121.306
flat angles P-C4'-P energy: -84.907
tors. eta vs tors. theta energy: -104.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1569.844798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.844798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.844798 (E_RNA)
where:
Base-Base interactions energy: -1019.491
where: short stacking energy: -443.259
Base-Backbone interact. energy: -0.237
local terms energy: -550.116907
where:
bonds (distance) C4'-P energy: -111.954
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -126.154
flat angles P-C4'-P energy: -83.396
tors. eta vs tors. theta energy: -118.548
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: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1342.241199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.241199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.241199 (E_RNA)
where:
Base-Base interactions energy: -841.441
where: short stacking energy: -388.139
Base-Backbone interact. energy: -0.864
local terms energy: -499.936792
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -112.238
flat angles C4'-P-C4' energy: -123.263
flat angles P-C4'-P energy: -80.445
tors. eta vs tors. theta energy: -89.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -802.850039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.850039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.850039 (E_RNA)
where:
Base-Base interactions energy: -418.199
where: short stacking energy: -217.814
Base-Backbone interact. energy: 0.573
local terms energy: -385.223502
where:
bonds (distance) C4'-P energy: -102.262
bonds (distance) P-C4' energy: -127.665
flat angles C4'-P-C4' energy: -95.669
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: -1.806
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: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -806.277643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.277643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.277643 (E_RNA)
where:
Base-Base interactions energy: -425.586
where: short stacking energy: -224.030
Base-Backbone interact. energy: 1.506
local terms energy: -382.197632
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -103.564
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -57.786
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -695.220238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.220238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.220238 (E_RNA)
where:
Base-Base interactions energy: -343.730
where: short stacking energy: -188.080
Base-Backbone interact. energy: 1.327
local terms energy: -352.817341
where:
bonds (distance) C4'-P energy: -100.986
bonds (distance) P-C4' energy: -106.911
flat angles C4'-P-C4' energy: -88.016
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: 4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2183.423392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.423392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.423392 (E_RNA)
where:
Base-Base interactions energy: -1502.555
where: short stacking energy: -648.269
Base-Backbone interact. energy: 3.791
local terms energy: -684.658869
where:
bonds (distance) C4'-P energy: -121.341
bonds (distance) P-C4' energy: -120.365
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -212.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2071.273610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.273610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.273610 (E_RNA)
where:
Base-Base interactions energy: -1431.103
where: short stacking energy: -614.702
Base-Backbone interact. energy: -1.046
local terms energy: -639.124586
where:
bonds (distance) C4'-P energy: -123.200
bonds (distance) P-C4' energy: -130.769
flat angles C4'-P-C4' energy: -134.421
flat angles P-C4'-P energy: -90.896
tors. eta vs tors. theta energy: -159.839
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: 308
Temperature: 1.000000
Total energy: -1973.038125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.038125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.038125 (E_RNA)
where:
Base-Base interactions energy: -1368.074
where: short stacking energy: -555.956
Base-Backbone interact. energy: -0.352
local terms energy: -604.611695
where:
bonds (distance) C4'-P energy: -107.318
bonds (distance) P-C4' energy: -123.808
flat angles C4'-P-C4' energy: -136.346
flat angles P-C4'-P energy: -88.486
tors. eta vs tors. theta energy: -148.652
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: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1956.220274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.220274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.220274 (E_RNA)
where:
Base-Base interactions energy: -1326.530
where: short stacking energy: -556.604
Base-Backbone interact. energy: -3.496
local terms energy: -626.193861
where:
bonds (distance) C4'-P energy: -107.268
bonds (distance) P-C4' energy: -138.538
flat angles C4'-P-C4' energy: -120.005
flat angles P-C4'-P energy: -94.341
tors. eta vs tors. theta energy: -166.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1670.526010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.526010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.526010 (E_RNA)
where:
Base-Base interactions energy: -1108.568
where: short stacking energy: -458.906
Base-Backbone interact. energy: -0.677
local terms energy: -561.280706
where:
bonds (distance) C4'-P energy: -110.654
bonds (distance) P-C4' energy: -124.833
flat angles C4'-P-C4' energy: -128.366
flat angles P-C4'-P energy: -73.358
tors. eta vs tors. theta energy: -124.070
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1563.133833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.133833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.133833 (E_RNA)
where:
Base-Base interactions energy: -1036.913
where: short stacking energy: -451.109
Base-Backbone interact. energy: -0.339
local terms energy: -525.881457
where:
bonds (distance) C4'-P energy: -118.306
bonds (distance) P-C4' energy: -115.236
flat angles C4'-P-C4' energy: -105.261
flat angles P-C4'-P energy: -71.151
tors. eta vs tors. theta energy: -115.927
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: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1292.390305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.390305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.390305 (E_RNA)
where:
Base-Base interactions energy: -821.217
where: short stacking energy: -388.628
Base-Backbone interact. energy: 2.756
local terms energy: -473.929281
where:
bonds (distance) C4'-P energy: -126.754
bonds (distance) P-C4' energy: -109.323
flat angles C4'-P-C4' energy: -93.732
flat angles P-C4'-P energy: -61.602
tors. eta vs tors. theta energy: -82.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -835.939802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.939802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.939802 (E_RNA)
where:
Base-Base interactions energy: -464.627
where: short stacking energy: -242.259
Base-Backbone interact. energy: -0.921
local terms energy: -370.392166
where:
bonds (distance) C4'-P energy: -94.704
bonds (distance) P-C4' energy: -97.367
flat angles C4'-P-C4' energy: -109.055
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -713.100545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.100545 (E_RNA)
where:
Base-Base interactions energy: -367.857
where: short stacking energy: -225.140
Base-Backbone interact. energy: -1.353
local terms energy: -343.889705
where:
bonds (distance) C4'-P energy: -95.477
bonds (distance) P-C4' energy: -114.828
flat angles C4'-P-C4' energy: -87.854
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -784.912530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.912530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.912530 (E_RNA)
where:
Base-Base interactions energy: -402.152
where: short stacking energy: -234.015
Base-Backbone interact. energy: 2.002
local terms energy: -384.762903
where:
bonds (distance) C4'-P energy: -84.653
bonds (distance) P-C4' energy: -117.471
flat angles C4'-P-C4' energy: -101.866
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2194.044503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.044503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.044503 (E_RNA)
where:
Base-Base interactions energy: -1492.975
where: short stacking energy: -663.103
Base-Backbone interact. energy: -0.985
local terms energy: -700.084026
where:
bonds (distance) C4'-P energy: -120.220
bonds (distance) P-C4' energy: -133.264
flat angles C4'-P-C4' energy: -141.380
flat angles P-C4'-P energy: -100.214
tors. eta vs tors. theta energy: -205.007
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: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2093.088606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.088606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.088606 (E_RNA)
where:
Base-Base interactions energy: -1456.274
where: short stacking energy: -610.281
Base-Backbone interact. energy: -1.968
local terms energy: -634.846539
where:
bonds (distance) C4'-P energy: -130.604
bonds (distance) P-C4' energy: -120.726
flat angles C4'-P-C4' energy: -141.480
flat angles P-C4'-P energy: -86.379
tors. eta vs tors. theta energy: -155.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1987.217258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.217258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.217258 (E_RNA)
where:
Base-Base interactions energy: -1369.802
where: short stacking energy: -576.531
Base-Backbone interact. energy: -4.067
local terms energy: -613.347913
where:
bonds (distance) C4'-P energy: -109.414
bonds (distance) P-C4' energy: -116.084
flat angles C4'-P-C4' energy: -130.619
flat angles P-C4'-P energy: -96.520
tors. eta vs tors. theta energy: -160.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1903.604683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.604683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.604683 (E_RNA)
where:
Base-Base interactions energy: -1294.939
where: short stacking energy: -536.302
Base-Backbone interact. energy: -7.264
local terms energy: -601.402276
where:
bonds (distance) C4'-P energy: -125.631
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -114.153
flat angles P-C4'-P energy: -86.820
tors. eta vs tors. theta energy: -164.751
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: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1702.021164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.021164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.021164 (E_RNA)
where:
Base-Base interactions energy: -1129.185
where: short stacking energy: -488.126
Base-Backbone interact. energy: -1.809
local terms energy: -571.026546
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -120.718
flat angles C4'-P-C4' energy: -119.920
flat angles P-C4'-P energy: -79.651
tors. eta vs tors. theta energy: -138.699
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: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1566.481803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.481803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.481803 (E_RNA)
where:
Base-Base interactions energy: -1017.750
where: short stacking energy: -487.191
Base-Backbone interact. energy: -3.071
local terms energy: -545.660259
where:
bonds (distance) C4'-P energy: -107.332
bonds (distance) P-C4' energy: -118.837
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -64.684
tors. eta vs tors. theta energy: -123.539
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: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1292.884432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.884432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.884432 (E_RNA)
where:
Base-Base interactions energy: -822.481
where: short stacking energy: -412.266
Base-Backbone interact. energy: -2.330
local terms energy: -468.072695
where:
bonds (distance) C4'-P energy: -96.647
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -103.921
flat angles P-C4'-P energy: -57.525
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: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -910.507588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.507588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.507588 (E_RNA)
where:
Base-Base interactions energy: -489.832
where: short stacking energy: -252.715
Base-Backbone interact. energy: 0.366
local terms energy: -421.040890
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -113.345
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -63.122
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -724.604085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.604085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.604085 (E_RNA)
where:
Base-Base interactions energy: -363.212
where: short stacking energy: -200.853
Base-Backbone interact. energy: -1.193
local terms energy: -360.199180
where:
bonds (distance) C4'-P energy: -103.867
bonds (distance) P-C4' energy: -120.299
flat angles C4'-P-C4' energy: -89.182
flat angles P-C4'-P energy: -56.484
tors. eta vs tors. theta energy: 9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -785.461628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.461628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.461628 (E_RNA)
where:
Base-Base interactions energy: -420.394
where: short stacking energy: -239.808
Base-Backbone interact. energy: 2.118
local terms energy: -367.185601
where:
bonds (distance) C4'-P energy: -104.596
bonds (distance) P-C4' energy: -99.823
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -31.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2210.266498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.266498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.266498 (E_RNA)
where:
Base-Base interactions energy: -1521.688
where: short stacking energy: -657.307
Base-Backbone interact. energy: -2.690
local terms energy: -685.887863
where:
bonds (distance) C4'-P energy: -121.227
bonds (distance) P-C4' energy: -127.684
flat angles C4'-P-C4' energy: -141.651
flat angles P-C4'-P energy: -91.822
tors. eta vs tors. theta energy: -203.504
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2074.860498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.860498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.860498 (E_RNA)
where:
Base-Base interactions energy: -1439.130
where: short stacking energy: -588.007
Base-Backbone interact. energy: -0.995
local terms energy: -634.736353
where:
bonds (distance) C4'-P energy: -110.918
bonds (distance) P-C4' energy: -130.033
flat angles C4'-P-C4' energy: -142.068
flat angles P-C4'-P energy: -98.702
tors. eta vs tors. theta energy: -153.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2000.780980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.780980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.780980 (E_RNA)
where:
Base-Base interactions energy: -1369.389
where: short stacking energy: -578.678
Base-Backbone interact. energy: -4.964
local terms energy: -626.428396
where:
bonds (distance) C4'-P energy: -111.359
bonds (distance) P-C4' energy: -124.888
flat angles C4'-P-C4' energy: -137.455
flat angles P-C4'-P energy: -98.264
tors. eta vs tors. theta energy: -154.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1939.978093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.978093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.978093 (E_RNA)
where:
Base-Base interactions energy: -1325.545
where: short stacking energy: -525.283
Base-Backbone interact. energy: -1.155
local terms energy: -613.277897
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -112.340
flat angles C4'-P-C4' energy: -141.490
flat angles P-C4'-P energy: -93.937
tors. eta vs tors. theta energy: -156.317
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1724.216781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.216781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.216781 (E_RNA)
where:
Base-Base interactions energy: -1170.814
where: short stacking energy: -498.395
Base-Backbone interact. energy: -0.592
local terms energy: -552.810879
where:
bonds (distance) C4'-P energy: -104.335
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -121.661
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: -142.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1526.073821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.073821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.073821 (E_RNA)
where:
Base-Base interactions energy: -1029.124
where: short stacking energy: -471.565
Base-Backbone interact. energy: -0.902
local terms energy: -496.048120
where:
bonds (distance) C4'-P energy: -99.926
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -126.368
flat angles P-C4'-P energy: -52.836
tors. eta vs tors. theta energy: -108.859
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1266.375016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.375016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.375016 (E_RNA)
where:
Base-Base interactions energy: -784.475
where: short stacking energy: -371.089
Base-Backbone interact. energy: 0.498
local terms energy: -482.398592
where:
bonds (distance) C4'-P energy: -106.884
bonds (distance) P-C4' energy: -99.186
flat angles C4'-P-C4' energy: -121.279
flat angles P-C4'-P energy: -69.108
tors. eta vs tors. theta energy: -85.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -973.202809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.202809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.202809 (E_RNA)
where:
Base-Base interactions energy: -584.554
where: short stacking energy: -263.891
Base-Backbone interact. energy: -0.804
local terms energy: -387.845686
where:
bonds (distance) C4'-P energy: -95.169
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -84.277
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -761.768727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.768727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.768727 (E_RNA)
where:
Base-Base interactions energy: -405.303
where: short stacking energy: -228.222
Base-Backbone interact. energy: 0.317
local terms energy: -356.783013
where:
bonds (distance) C4'-P energy: -95.057
bonds (distance) P-C4' energy: -106.863
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -58.466
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -679.736910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.736910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.736910 (E_RNA)
where:
Base-Base interactions energy: -355.879
where: short stacking energy: -223.454
Base-Backbone interact. energy: 2.195
local terms energy: -326.052932
where:
bonds (distance) C4'-P energy: -105.767
bonds (distance) P-C4' energy: -89.888
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: 0.491
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: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2194.189682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.189682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.189682 (E_RNA)
where:
Base-Base interactions energy: -1483.567
where: short stacking energy: -627.913
Base-Backbone interact. energy: -3.427
local terms energy: -707.195524
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -127.885
flat angles C4'-P-C4' energy: -136.849
flat angles P-C4'-P energy: -101.068
tors. eta vs tors. theta energy: -205.872
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2094.747866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.747866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.747866 (E_RNA)
where:
Base-Base interactions energy: -1448.892
where: short stacking energy: -610.028
Base-Backbone interact. energy: -3.400
local terms energy: -642.455056
where:
bonds (distance) C4'-P energy: -116.978
bonds (distance) P-C4' energy: -139.021
flat angles C4'-P-C4' energy: -134.660
flat angles P-C4'-P energy: -89.032
tors. eta vs tors. theta energy: -162.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2007.395406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.395406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.395406 (E_RNA)
where:
Base-Base interactions energy: -1404.091
where: short stacking energy: -592.156
Base-Backbone interact. energy: -3.962
local terms energy: -599.342584
where:
bonds (distance) C4'-P energy: -112.032
bonds (distance) P-C4' energy: -117.610
flat angles C4'-P-C4' energy: -120.603
flat angles P-C4'-P energy: -93.105
tors. eta vs tors. theta energy: -155.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1943.308036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.308036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.308036 (E_RNA)
where:
Base-Base interactions energy: -1325.598
where: short stacking energy: -539.281
Base-Backbone interact. energy: 1.358
local terms energy: -619.068182
where:
bonds (distance) C4'-P energy: -131.567
bonds (distance) P-C4' energy: -116.909
flat angles C4'-P-C4' energy: -123.600
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -160.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1700.558410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.558410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.558410 (E_RNA)
where:
Base-Base interactions energy: -1122.781
where: short stacking energy: -493.208
Base-Backbone interact. energy: -3.143
local terms energy: -574.634896
where:
bonds (distance) C4'-P energy: -112.394
bonds (distance) P-C4' energy: -121.959
flat angles C4'-P-C4' energy: -140.235
flat angles P-C4'-P energy: -66.328
tors. eta vs tors. theta energy: -133.718
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: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1554.875852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.875852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.875852 (E_RNA)
where:
Base-Base interactions energy: -1023.384
where: short stacking energy: -476.066
Base-Backbone interact. energy: -2.125
local terms energy: -529.366842
where:
bonds (distance) C4'-P energy: -114.428
bonds (distance) P-C4' energy: -100.146
flat angles C4'-P-C4' energy: -110.559
flat angles P-C4'-P energy: -82.995
tors. eta vs tors. theta energy: -121.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1268.504327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.504327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.504327 (E_RNA)
where:
Base-Base interactions energy: -790.701
where: short stacking energy: -394.902
Base-Backbone interact. energy: 0.986
local terms energy: -478.789444
where:
bonds (distance) C4'-P energy: -91.790
bonds (distance) P-C4' energy: -114.153
flat angles C4'-P-C4' energy: -108.698
flat angles P-C4'-P energy: -77.727
tors. eta vs tors. theta energy: -86.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -945.750336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.750336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.750336 (E_RNA)
where:
Base-Base interactions energy: -545.303
where: short stacking energy: -279.045
Base-Backbone interact. energy: -2.320
local terms energy: -398.127272
where:
bonds (distance) C4'-P energy: -110.946
bonds (distance) P-C4' energy: -102.609
flat angles C4'-P-C4' energy: -101.454
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -27.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -823.032247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.032247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.032247 (E_RNA)
where:
Base-Base interactions energy: -430.869
where: short stacking energy: -218.400
Base-Backbone interact. energy: 5.999
local terms energy: -398.162361
where:
bonds (distance) C4'-P energy: -105.970
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -89.861
flat angles P-C4'-P energy: -74.243
tors. eta vs tors. theta energy: -24.988
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: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -724.526854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.526854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.526854 (E_RNA)
where:
Base-Base interactions energy: -365.157
where: short stacking energy: -212.072
Base-Backbone interact. energy: -0.408
local terms energy: -358.962633
where:
bonds (distance) C4'-P energy: -114.067
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -87.845
flat angles P-C4'-P energy: -55.176
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2174.165091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.165091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.165091 (E_RNA)
where:
Base-Base interactions energy: -1488.588
where: short stacking energy: -651.885
Base-Backbone interact. energy: -0.286
local terms energy: -685.291480
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -130.684
flat angles C4'-P-C4' energy: -136.789
flat angles P-C4'-P energy: -101.795
tors. eta vs tors. theta energy: -200.994
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: 312
Temperature: 0.950000
Total energy: -2089.400692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.400692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.400692 (E_RNA)
where:
Base-Base interactions energy: -1459.171
where: short stacking energy: -616.779
Base-Backbone interact. energy: -1.699
local terms energy: -628.530783
where:
bonds (distance) C4'-P energy: -114.829
bonds (distance) P-C4' energy: -125.603
flat angles C4'-P-C4' energy: -128.398
flat angles P-C4'-P energy: -95.852
tors. eta vs tors. theta energy: -163.850
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1952.898267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.898267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.898267 (E_RNA)
where:
Base-Base interactions energy: -1344.489
where: short stacking energy: -559.387
Base-Backbone interact. energy: -1.953
local terms energy: -606.456493
where:
bonds (distance) C4'-P energy: -120.754
bonds (distance) P-C4' energy: -128.769
flat angles C4'-P-C4' energy: -139.333
flat angles P-C4'-P energy: -69.459
tors. eta vs tors. theta energy: -148.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1975.435752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.435752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.435752 (E_RNA)
where:
Base-Base interactions energy: -1368.458
where: short stacking energy: -576.695
Base-Backbone interact. energy: -3.609
local terms energy: -603.367782
where:
bonds (distance) C4'-P energy: -112.743
bonds (distance) P-C4' energy: -117.549
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -86.016
tors. eta vs tors. theta energy: -162.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1744.034701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.034701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.034701 (E_RNA)
where:
Base-Base interactions energy: -1166.932
where: short stacking energy: -501.919
Base-Backbone interact. energy: -0.889
local terms energy: -576.213940
where:
bonds (distance) C4'-P energy: -126.553
bonds (distance) P-C4' energy: -112.432
flat angles C4'-P-C4' energy: -120.915
flat angles P-C4'-P energy: -90.084
tors. eta vs tors. theta energy: -126.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1597.699067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.699067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.699067 (E_RNA)
where:
Base-Base interactions energy: -1075.355
where: short stacking energy: -482.833
Base-Backbone interact. energy: 2.405
local terms energy: -524.748789
where:
bonds (distance) C4'-P energy: -92.251
bonds (distance) P-C4' energy: -102.776
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -137.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1265.384563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.384563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.384563 (E_RNA)
where:
Base-Base interactions energy: -770.552
where: short stacking energy: -379.658
Base-Backbone interact. energy: 0.384
local terms energy: -495.216457
where:
bonds (distance) C4'-P energy: -119.708
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -119.157
flat angles P-C4'-P energy: -62.192
tors. eta vs tors. theta energy: -85.850
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: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -946.160292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.160292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.160292 (E_RNA)
where:
Base-Base interactions energy: -534.037
where: short stacking energy: -277.551
Base-Backbone interact. energy: 2.535
local terms energy: -414.658276
where:
bonds (distance) C4'-P energy: -98.626
bonds (distance) P-C4' energy: -117.912
flat angles C4'-P-C4' energy: -108.481
flat angles P-C4'-P energy: -59.132
tors. eta vs tors. theta energy: -30.508
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: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -812.981188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.981188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.981188 (E_RNA)
where:
Base-Base interactions energy: -439.971
where: short stacking energy: -246.323
Base-Backbone interact. energy: 4.191
local terms energy: -377.201335
where:
bonds (distance) C4'-P energy: -107.877
bonds (distance) P-C4' energy: -99.423
flat angles C4'-P-C4' energy: -92.088
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -29.059
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: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -644.894272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.894272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.894272 (E_RNA)
where:
Base-Base interactions energy: -314.377
where: short stacking energy: -188.612
Base-Backbone interact. energy: -0.334
local terms energy: -330.183560
where:
bonds (distance) C4'-P energy: -86.785
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -56.218
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2207.237530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.237530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.237530 (E_RNA)
where:
Base-Base interactions energy: -1494.156
where: short stacking energy: -641.770
Base-Backbone interact. energy: -4.483
local terms energy: -708.597818
where:
bonds (distance) C4'-P energy: -119.066
bonds (distance) P-C4' energy: -130.294
flat angles C4'-P-C4' energy: -145.423
flat angles P-C4'-P energy: -97.766
tors. eta vs tors. theta energy: -216.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2109.861982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.861982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.861982 (E_RNA)
where:
Base-Base interactions energy: -1469.017
where: short stacking energy: -623.918
Base-Backbone interact. energy: -3.387
local terms energy: -637.457527
where:
bonds (distance) C4'-P energy: -116.646
bonds (distance) P-C4' energy: -111.090
flat angles C4'-P-C4' energy: -140.656
flat angles P-C4'-P energy: -104.656
tors. eta vs tors. theta energy: -164.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1943.044687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.044687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.044687 (E_RNA)
where:
Base-Base interactions energy: -1341.373
where: short stacking energy: -557.971
Base-Backbone interact. energy: -1.368
local terms energy: -600.303816
where:
bonds (distance) C4'-P energy: -114.145
bonds (distance) P-C4' energy: -123.717
flat angles C4'-P-C4' energy: -123.833
flat angles P-C4'-P energy: -83.799
tors. eta vs tors. theta energy: -154.810
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1950.303572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.303572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.303572 (E_RNA)
where:
Base-Base interactions energy: -1356.496
where: short stacking energy: -580.972
Base-Backbone interact. energy: -2.780
local terms energy: -591.027779
where:
bonds (distance) C4'-P energy: -88.683
bonds (distance) P-C4' energy: -125.104
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -63.850
tors. eta vs tors. theta energy: -174.629
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: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1719.163627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.163627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.163627 (E_RNA)
where:
Base-Base interactions energy: -1148.849
where: short stacking energy: -469.733
Base-Backbone interact. energy: -3.434
local terms energy: -566.880920
where:
bonds (distance) C4'-P energy: -111.014
bonds (distance) P-C4' energy: -118.405
flat angles C4'-P-C4' energy: -129.785
flat angles P-C4'-P energy: -81.277
tors. eta vs tors. theta energy: -126.400
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1575.850507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.850507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.850507 (E_RNA)
where:
Base-Base interactions energy: -1018.297
where: short stacking energy: -475.032
Base-Backbone interact. energy: 0.017
local terms energy: -557.570002
where:
bonds (distance) C4'-P energy: -104.572
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -121.657
flat angles P-C4'-P energy: -82.090
tors. eta vs tors. theta energy: -140.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1306.379786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.379786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.379786 (E_RNA)
where:
Base-Base interactions energy: -820.071
where: short stacking energy: -385.959
Base-Backbone interact. energy: 0.400
local terms energy: -486.709556
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -91.925
flat angles C4'-P-C4' energy: -119.142
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -102.840
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -967.081806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.081806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.081806 (E_RNA)
where:
Base-Base interactions energy: -568.957
where: short stacking energy: -283.135
Base-Backbone interact. energy: -1.892
local terms energy: -396.232863
where:
bonds (distance) C4'-P energy: -83.772
bonds (distance) P-C4' energy: -117.339
flat angles C4'-P-C4' energy: -100.366
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -830.564853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.564853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.564853 (E_RNA)
where:
Base-Base interactions energy: -444.191
where: short stacking energy: -242.579
Base-Backbone interact. energy: -1.914
local terms energy: -384.460274
where:
bonds (distance) C4'-P energy: -99.938
bonds (distance) P-C4' energy: -119.449
flat angles C4'-P-C4' energy: -88.100
flat angles P-C4'-P energy: -56.659
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -667.824538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.824538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.824538 (E_RNA)
where:
Base-Base interactions energy: -309.151
where: short stacking energy: -183.449
Base-Backbone interact. energy: 1.399
local terms energy: -360.072792
where:
bonds (distance) C4'-P energy: -107.030
bonds (distance) P-C4' energy: -112.615
flat angles C4'-P-C4' energy: -95.658
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2203.779924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.779924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.779924 (E_RNA)
where:
Base-Base interactions energy: -1492.931
where: short stacking energy: -657.398
Base-Backbone interact. energy: -0.442
local terms energy: -710.407215
where:
bonds (distance) C4'-P energy: -124.523
bonds (distance) P-C4' energy: -126.945
flat angles C4'-P-C4' energy: -151.749
flat angles P-C4'-P energy: -101.143
tors. eta vs tors. theta energy: -206.047
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2071.912743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.912743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.912743 (E_RNA)
where:
Base-Base interactions energy: -1400.032
where: short stacking energy: -583.762
Base-Backbone interact. energy: 1.228
local terms energy: -673.108275
where:
bonds (distance) C4'-P energy: -127.028
bonds (distance) P-C4' energy: -144.733
flat angles C4'-P-C4' energy: -144.444
flat angles P-C4'-P energy: -87.868
tors. eta vs tors. theta energy: -169.034
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1941.442131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.442131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.442131 (E_RNA)
where:
Base-Base interactions energy: -1357.724
where: short stacking energy: -543.622
Base-Backbone interact. energy: -6.127
local terms energy: -577.591961
where:
bonds (distance) C4'-P energy: -103.955
bonds (distance) P-C4' energy: -117.155
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -87.637
tors. eta vs tors. theta energy: -142.246
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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1924.671350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.671350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.671350 (E_RNA)
where:
Base-Base interactions energy: -1324.789
where: short stacking energy: -550.921
Base-Backbone interact. energy: -1.667
local terms energy: -598.215199
where:
bonds (distance) C4'-P energy: -109.718
bonds (distance) P-C4' energy: -111.239
flat angles C4'-P-C4' energy: -131.947
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -161.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1640.496766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.496766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.496766 (E_RNA)
where:
Base-Base interactions energy: -1071.394
where: short stacking energy: -481.525
Base-Backbone interact. energy: -2.557
local terms energy: -566.545988
where:
bonds (distance) C4'-P energy: -114.068
bonds (distance) P-C4' energy: -112.717
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -86.746
tors. eta vs tors. theta energy: -142.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1567.395310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.395310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.395310 (E_RNA)
where:
Base-Base interactions energy: -1046.369
where: short stacking energy: -456.687
Base-Backbone interact. energy: -4.669
local terms energy: -516.357240
where:
bonds (distance) C4'-P energy: -99.173
bonds (distance) P-C4' energy: -97.612
flat angles C4'-P-C4' energy: -125.505
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -124.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1304.609813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.609813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.609813 (E_RNA)
where:
Base-Base interactions energy: -803.276
where: short stacking energy: -379.576
Base-Backbone interact. energy: -2.629
local terms energy: -498.704905
where:
bonds (distance) C4'-P energy: -108.628
bonds (distance) P-C4' energy: -123.746
flat angles C4'-P-C4' energy: -108.468
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -93.065
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: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -942.497664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.497664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.497664 (E_RNA)
where:
Base-Base interactions energy: -521.071
where: short stacking energy: -298.023
Base-Backbone interact. energy: 3.357
local terms energy: -424.783946
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -114.208
flat angles C4'-P-C4' energy: -96.193
flat angles P-C4'-P energy: -70.909
tors. eta vs tors. theta energy: -45.285
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: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -869.638301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.638301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.638301 (E_RNA)
where:
Base-Base interactions energy: -481.907
where: short stacking energy: -271.478
Base-Backbone interact. energy: 3.494
local terms energy: -391.225374
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -112.369
flat angles C4'-P-C4' energy: -95.905
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -674.466456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.466456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.466456 (E_RNA)
where:
Base-Base interactions energy: -355.787
where: short stacking energy: -209.024
Base-Backbone interact. energy: 4.843
local terms energy: -323.522764
where:
bonds (distance) C4'-P energy: -85.026
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2236.599585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.599585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.599585 (E_RNA)
where:
Base-Base interactions energy: -1539.641
where: short stacking energy: -670.606
Base-Backbone interact. energy: -0.334
local terms energy: -696.624708
where:
bonds (distance) C4'-P energy: -125.294
bonds (distance) P-C4' energy: -115.411
flat angles C4'-P-C4' energy: -144.624
flat angles P-C4'-P energy: -94.711
tors. eta vs tors. theta energy: -216.585
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2094.093000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.093000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.093000 (E_RNA)
where:
Base-Base interactions energy: -1465.599
where: short stacking energy: -602.900
Base-Backbone interact. energy: -4.892
local terms energy: -623.601607
where:
bonds (distance) C4'-P energy: -102.814
bonds (distance) P-C4' energy: -115.728
flat angles C4'-P-C4' energy: -142.094
flat angles P-C4'-P energy: -95.552
tors. eta vs tors. theta energy: -167.413
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1941.794546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.794546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.794546 (E_RNA)
where:
Base-Base interactions energy: -1365.861
where: short stacking energy: -552.215
Base-Backbone interact. energy: 1.353
local terms energy: -577.286344
where:
bonds (distance) C4'-P energy: -103.657
bonds (distance) P-C4' energy: -122.749
flat angles C4'-P-C4' energy: -117.372
flat angles P-C4'-P energy: -87.642
tors. eta vs tors. theta energy: -145.867
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1940.578180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.578180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.578180 (E_RNA)
where:
Base-Base interactions energy: -1353.255
where: short stacking energy: -565.348
Base-Backbone interact. energy: -2.674
local terms energy: -584.649655
where:
bonds (distance) C4'-P energy: -103.052
bonds (distance) P-C4' energy: -125.901
flat angles C4'-P-C4' energy: -125.313
flat angles P-C4'-P energy: -73.360
tors. eta vs tors. theta energy: -157.023
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: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1728.087131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.087131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.087131 (E_RNA)
where:
Base-Base interactions energy: -1134.709
where: short stacking energy: -507.663
Base-Backbone interact. energy: -3.872
local terms energy: -589.506448
where:
bonds (distance) C4'-P energy: -114.177
bonds (distance) P-C4' energy: -116.310
flat angles C4'-P-C4' energy: -133.928
flat angles P-C4'-P energy: -77.778
tors. eta vs tors. theta energy: -147.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1642.652089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.652089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.652089 (E_RNA)
where:
Base-Base interactions energy: -1086.960
where: short stacking energy: -524.823
Base-Backbone interact. energy: 0.052
local terms energy: -555.744645
where:
bonds (distance) C4'-P energy: -108.775
bonds (distance) P-C4' energy: -120.889
flat angles C4'-P-C4' energy: -130.229
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -138.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1392.317842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.317842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.317842 (E_RNA)
where:
Base-Base interactions energy: -927.499
where: short stacking energy: -418.756
Base-Backbone interact. energy: -2.165
local terms energy: -462.654077
where:
bonds (distance) C4'-P energy: -94.242
bonds (distance) P-C4' energy: -91.425
flat angles C4'-P-C4' energy: -114.739
flat angles P-C4'-P energy: -65.646
tors. eta vs tors. theta energy: -96.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -888.757827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.757827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.757827 (E_RNA)
where:
Base-Base interactions energy: -509.908
where: short stacking energy: -253.399
Base-Backbone interact. energy: -2.219
local terms energy: -376.630531
where:
bonds (distance) C4'-P energy: -106.892
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -92.693
flat angles P-C4'-P energy: -62.068
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: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -845.717545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.717545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.717545 (E_RNA)
where:
Base-Base interactions energy: -440.109
where: short stacking energy: -243.237
Base-Backbone interact. energy: -3.660
local terms energy: -401.948253
where:
bonds (distance) C4'-P energy: -103.534
bonds (distance) P-C4' energy: -105.233
flat angles C4'-P-C4' energy: -96.415
flat angles P-C4'-P energy: -67.237
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -653.477392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.477392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.477392 (E_RNA)
where:
Base-Base interactions energy: -313.800
where: short stacking energy: -181.854
Base-Backbone interact. energy: -2.930
local terms energy: -336.747615
where:
bonds (distance) C4'-P energy: -102.029
bonds (distance) P-C4' energy: -90.346
flat angles C4'-P-C4' energy: -106.769
flat angles P-C4'-P energy: -54.565
tors. eta vs tors. theta energy: 16.961
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: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2212.753292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.753292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.753292 (E_RNA)
where:
Base-Base interactions energy: -1507.553
where: short stacking energy: -664.259
Base-Backbone interact. energy: -0.416
local terms energy: -704.784285
where:
bonds (distance) C4'-P energy: -130.192
bonds (distance) P-C4' energy: -131.178
flat angles C4'-P-C4' energy: -145.169
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -214.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2082.551929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.551929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.551929 (E_RNA)
where:
Base-Base interactions energy: -1465.176
where: short stacking energy: -615.941
Base-Backbone interact. energy: -2.707
local terms energy: -614.668448
where:
bonds (distance) C4'-P energy: -122.467
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -134.121
flat angles P-C4'-P energy: -76.716
tors. eta vs tors. theta energy: -169.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1983.965252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.965252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.965252 (E_RNA)
where:
Base-Base interactions energy: -1384.238
where: short stacking energy: -570.565
Base-Backbone interact. energy: 0.321
local terms energy: -600.047877
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -123.340
flat angles C4'-P-C4' energy: -131.042
flat angles P-C4'-P energy: -74.701
tors. eta vs tors. theta energy: -148.962
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: 316
Temperature: 1.050000
Total energy: -1928.620947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.620947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.620947 (E_RNA)
where:
Base-Base interactions energy: -1334.946
where: short stacking energy: -545.822
Base-Backbone interact. energy: -2.343
local terms energy: -591.331419
where:
bonds (distance) C4'-P energy: -101.074
bonds (distance) P-C4' energy: -123.343
flat angles C4'-P-C4' energy: -133.512
flat angles P-C4'-P energy: -82.654
tors. eta vs tors. theta energy: -150.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1711.500689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.500689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.500689 (E_RNA)
where:
Base-Base interactions energy: -1135.364
where: short stacking energy: -493.054
Base-Backbone interact. energy: -4.070
local terms energy: -572.066620
where:
bonds (distance) C4'-P energy: -112.791
bonds (distance) P-C4' energy: -101.615
flat angles C4'-P-C4' energy: -125.515
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -146.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1622.950322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.950322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.950322 (E_RNA)
where:
Base-Base interactions energy: -1038.876
where: short stacking energy: -491.826
Base-Backbone interact. energy: 1.228
local terms energy: -585.301692
where:
bonds (distance) C4'-P energy: -125.199
bonds (distance) P-C4' energy: -128.792
flat angles C4'-P-C4' energy: -130.329
flat angles P-C4'-P energy: -66.838
tors. eta vs tors. theta energy: -134.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1356.660367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.660367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.660367 (E_RNA)
where:
Base-Base interactions energy: -889.995
where: short stacking energy: -421.380
Base-Backbone interact. energy: -1.920
local terms energy: -464.745516
where:
bonds (distance) C4'-P energy: -104.497
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -108.569
flat angles P-C4'-P energy: -71.914
tors. eta vs tors. theta energy: -78.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1016.714599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.714599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.714599 (E_RNA)
where:
Base-Base interactions energy: -605.553
where: short stacking energy: -299.680
Base-Backbone interact. energy: -2.212
local terms energy: -408.950256
where:
bonds (distance) C4'-P energy: -113.945
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -107.834
flat angles P-C4'-P energy: -39.907
tors. eta vs tors. theta energy: -47.366
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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -796.364678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.364678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.364678 (E_RNA)
where:
Base-Base interactions energy: -416.656
where: short stacking energy: -228.599
Base-Backbone interact. energy: -0.871
local terms energy: -378.838016
where:
bonds (distance) C4'-P energy: -103.842
bonds (distance) P-C4' energy: -96.861
flat angles C4'-P-C4' energy: -100.853
flat angles P-C4'-P energy: -60.671
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -661.929609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.929609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.929609 (E_RNA)
where:
Base-Base interactions energy: -327.032
where: short stacking energy: -163.489
Base-Backbone interact. energy: 5.135
local terms energy: -340.031934
where:
bonds (distance) C4'-P energy: -89.743
bonds (distance) P-C4' energy: -103.109
flat angles C4'-P-C4' energy: -92.338
flat angles P-C4'-P energy: -65.537
tors. eta vs tors. theta energy: 10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2191.321632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.321632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.321632 (E_RNA)
where:
Base-Base interactions energy: -1488.614
where: short stacking energy: -641.896
Base-Backbone interact. energy: -1.506
local terms energy: -701.202131
where:
bonds (distance) C4'-P energy: -137.572
bonds (distance) P-C4' energy: -125.078
flat angles C4'-P-C4' energy: -144.359
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -205.393
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: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2123.628939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.628939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.628939 (E_RNA)
where:
Base-Base interactions energy: -1470.308
where: short stacking energy: -612.304
Base-Backbone interact. energy: -4.267
local terms energy: -649.053565
where:
bonds (distance) C4'-P energy: -102.638
bonds (distance) P-C4' energy: -136.360
flat angles C4'-P-C4' energy: -139.348
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -174.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1969.672248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.672248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.672248 (E_RNA)
where:
Base-Base interactions energy: -1370.519
where: short stacking energy: -574.189
Base-Backbone interact. energy: -3.225
local terms energy: -595.928746
where:
bonds (distance) C4'-P energy: -116.947
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -121.213
flat angles P-C4'-P energy: -91.835
tors. eta vs tors. theta energy: -154.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1908.702762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.702762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.702762 (E_RNA)
where:
Base-Base interactions energy: -1299.291
where: short stacking energy: -563.457
Base-Backbone interact. energy: 1.044
local terms energy: -610.455813
where:
bonds (distance) C4'-P energy: -123.491
bonds (distance) P-C4' energy: -118.966
flat angles C4'-P-C4' energy: -121.234
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -156.943
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1724.394464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.394464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.394464 (E_RNA)
where:
Base-Base interactions energy: -1123.758
where: short stacking energy: -481.581
Base-Backbone interact. energy: -2.325
local terms energy: -598.311373
where:
bonds (distance) C4'-P energy: -117.065
bonds (distance) P-C4' energy: -116.888
flat angles C4'-P-C4' energy: -133.791
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -147.978
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: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1626.264003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.264003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.264003 (E_RNA)
where:
Base-Base interactions energy: -1074.761
where: short stacking energy: -502.591
Base-Backbone interact. energy: -2.807
local terms energy: -548.695716
where:
bonds (distance) C4'-P energy: -103.112
bonds (distance) P-C4' energy: -127.850
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -65.975
tors. eta vs tors. theta energy: -132.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1385.974558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.974558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.974558 (E_RNA)
where:
Base-Base interactions energy: -892.213
where: short stacking energy: -421.692
Base-Backbone interact. energy: -3.338
local terms energy: -490.423302
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -112.258
flat angles C4'-P-C4' energy: -117.948
flat angles P-C4'-P energy: -80.370
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: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1068.139213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.139213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.139213 (E_RNA)
where:
Base-Base interactions energy: -626.491
where: short stacking energy: -329.743
Base-Backbone interact. energy: 4.541
local terms energy: -446.188995
where:
bonds (distance) C4'-P energy: -104.547
bonds (distance) P-C4' energy: -113.445
flat angles C4'-P-C4' energy: -109.344
flat angles P-C4'-P energy: -60.617
tors. eta vs tors. theta energy: -58.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -747.467386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.467386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.467386 (E_RNA)
where:
Base-Base interactions energy: -407.496
where: short stacking energy: -230.954
Base-Backbone interact. energy: 3.770
local terms energy: -343.741220
where:
bonds (distance) C4'-P energy: -82.201
bonds (distance) P-C4' energy: -100.118
flat angles C4'-P-C4' energy: -100.481
flat angles P-C4'-P energy: -51.778
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -616.779492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.779492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.779492 (E_RNA)
where:
Base-Base interactions energy: -295.143
where: short stacking energy: -194.370
Base-Backbone interact. energy: 0.851
local terms energy: -322.487002
where:
bonds (distance) C4'-P energy: -91.267
bonds (distance) P-C4' energy: -91.436
flat angles C4'-P-C4' energy: -79.519
flat angles P-C4'-P energy: -56.176
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2181.461725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.461725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.461725 (E_RNA)
where:
Base-Base interactions energy: -1478.697
where: short stacking energy: -669.860
Base-Backbone interact. energy: -3.697
local terms energy: -699.067480
where:
bonds (distance) C4'-P energy: -129.305
bonds (distance) P-C4' energy: -135.485
flat angles C4'-P-C4' energy: -135.583
flat angles P-C4'-P energy: -93.842
tors. eta vs tors. theta energy: -204.853
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: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2126.138788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.138788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.138788 (E_RNA)
where:
Base-Base interactions energy: -1481.546
where: short stacking energy: -605.565
Base-Backbone interact. energy: -2.649
local terms energy: -641.943415
where:
bonds (distance) C4'-P energy: -133.055
bonds (distance) P-C4' energy: -127.712
flat angles C4'-P-C4' energy: -135.031
flat angles P-C4'-P energy: -97.782
tors. eta vs tors. theta energy: -148.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1987.434955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.434955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.434955 (E_RNA)
where:
Base-Base interactions energy: -1372.390
where: short stacking energy: -553.649
Base-Backbone interact. energy: -3.046
local terms energy: -611.999034
where:
bonds (distance) C4'-P energy: -113.834
bonds (distance) P-C4' energy: -137.574
flat angles C4'-P-C4' energy: -132.085
flat angles P-C4'-P energy: -84.427
tors. eta vs tors. theta energy: -144.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1883.751638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.751638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.751638 (E_RNA)
where:
Base-Base interactions energy: -1264.815
where: short stacking energy: -541.330
Base-Backbone interact. energy: -5.153
local terms energy: -613.783049
where:
bonds (distance) C4'-P energy: -118.342
bonds (distance) P-C4' energy: -118.134
flat angles C4'-P-C4' energy: -122.282
flat angles P-C4'-P energy: -93.917
tors. eta vs tors. theta energy: -161.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1736.803238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.803238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.803238 (E_RNA)
where:
Base-Base interactions energy: -1137.307
where: short stacking energy: -501.165
Base-Backbone interact. energy: -2.074
local terms energy: -597.422732
where:
bonds (distance) C4'-P energy: -127.825
bonds (distance) P-C4' energy: -113.894
flat angles C4'-P-C4' energy: -131.806
flat angles P-C4'-P energy: -93.187
tors. eta vs tors. theta energy: -130.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1572.370079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.370079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.370079 (E_RNA)
where:
Base-Base interactions energy: -1060.130
where: short stacking energy: -477.066
Base-Backbone interact. energy: 1.219
local terms energy: -513.458735
where:
bonds (distance) C4'-P energy: -101.586
bonds (distance) P-C4' energy: -90.498
flat angles C4'-P-C4' energy: -121.880
flat angles P-C4'-P energy: -74.529
tors. eta vs tors. theta energy: -124.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1347.481990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.481990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.481990 (E_RNA)
where:
Base-Base interactions energy: -867.532
where: short stacking energy: -402.693
Base-Backbone interact. energy: -0.466
local terms energy: -479.483250
where:
bonds (distance) C4'-P energy: -104.351
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -109.469
flat angles P-C4'-P energy: -58.935
tors. eta vs tors. theta energy: -97.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1033.027333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.027333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.027333 (E_RNA)
where:
Base-Base interactions energy: -574.414
where: short stacking energy: -295.648
Base-Backbone interact. energy: 0.421
local terms energy: -459.034850
where:
bonds (distance) C4'-P energy: -121.302
bonds (distance) P-C4' energy: -105.844
flat angles C4'-P-C4' energy: -113.738
flat angles P-C4'-P energy: -66.657
tors. eta vs tors. theta energy: -51.494
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: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -792.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.374832 (E_RNA)
where:
Base-Base interactions energy: -428.261
where: short stacking energy: -226.277
Base-Backbone interact. energy: -1.898
local terms energy: -362.215521
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -111.731
flat angles C4'-P-C4' energy: -109.080
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -587.237218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.237218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.237218 (E_RNA)
where:
Base-Base interactions energy: -287.873
where: short stacking energy: -167.905
Base-Backbone interact. energy: -0.478
local terms energy: -298.886417
where:
bonds (distance) C4'-P energy: -92.263
bonds (distance) P-C4' energy: -100.620
flat angles C4'-P-C4' energy: -98.046
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: 32.963
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: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2223.771967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.771967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.771967 (E_RNA)
where:
Base-Base interactions energy: -1526.937
where: short stacking energy: -674.287
Base-Backbone interact. energy: -4.067
local terms energy: -692.767326
where:
bonds (distance) C4'-P energy: -126.961
bonds (distance) P-C4' energy: -118.541
flat angles C4'-P-C4' energy: -148.166
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -212.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2132.461508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.461508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.461508 (E_RNA)
where:
Base-Base interactions energy: -1501.268
where: short stacking energy: -607.711
Base-Backbone interact. energy: -5.431
local terms energy: -625.762590
where:
bonds (distance) C4'-P energy: -116.255
bonds (distance) P-C4' energy: -138.937
flat angles C4'-P-C4' energy: -138.231
flat angles P-C4'-P energy: -81.120
tors. eta vs tors. theta energy: -151.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2032.142137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.142137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.142137 (E_RNA)
where:
Base-Base interactions energy: -1407.089
where: short stacking energy: -586.675
Base-Backbone interact. energy: -7.557
local terms energy: -617.496682
where:
bonds (distance) C4'-P energy: -112.962
bonds (distance) P-C4' energy: -111.943
flat angles C4'-P-C4' energy: -145.452
flat angles P-C4'-P energy: -81.235
tors. eta vs tors. theta energy: -165.904
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: 319
Temperature: 1.050000
Total energy: -1903.488908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.488908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.488908 (E_RNA)
where:
Base-Base interactions energy: -1272.514
where: short stacking energy: -571.077
Base-Backbone interact. energy: -3.396
local terms energy: -627.578509
where:
bonds (distance) C4'-P energy: -108.042
bonds (distance) P-C4' energy: -136.782
flat angles C4'-P-C4' energy: -134.313
flat angles P-C4'-P energy: -89.868
tors. eta vs tors. theta energy: -158.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1708.425521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.425521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.425521 (E_RNA)
where:
Base-Base interactions energy: -1147.156
where: short stacking energy: -493.811
Base-Backbone interact. energy: 1.984
local terms energy: -563.253538
where:
bonds (distance) C4'-P energy: -105.744
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -122.722
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -129.283
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: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1493.504558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.504558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.504558 (E_RNA)
where:
Base-Base interactions energy: -1003.165
where: short stacking energy: -457.014
Base-Backbone interact. energy: 2.621
local terms energy: -492.959928
where:
bonds (distance) C4'-P energy: -95.816
bonds (distance) P-C4' energy: -94.603
flat angles C4'-P-C4' energy: -117.448
flat angles P-C4'-P energy: -73.669
tors. eta vs tors. theta energy: -111.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1306.126300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.126300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.126300 (E_RNA)
where:
Base-Base interactions energy: -847.831
where: short stacking energy: -394.055
Base-Backbone interact. energy: -3.050
local terms energy: -455.245117
where:
bonds (distance) C4'-P energy: -118.465
bonds (distance) P-C4' energy: -83.859
flat angles C4'-P-C4' energy: -100.495
flat angles P-C4'-P energy: -71.191
tors. eta vs tors. theta energy: -81.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1036.377582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.377582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.377582 (E_RNA)
where:
Base-Base interactions energy: -621.657
where: short stacking energy: -288.418
Base-Backbone interact. energy: -2.029
local terms energy: -412.691666
where:
bonds (distance) C4'-P energy: -107.076
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -80.816
flat angles P-C4'-P energy: -77.955
tors. eta vs tors. theta energy: -35.460
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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -840.480513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.480513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.480513 (E_RNA)
where:
Base-Base interactions energy: -446.200
where: short stacking energy: -252.012
Base-Backbone interact. energy: -3.274
local terms energy: -391.006859
where:
bonds (distance) C4'-P energy: -107.453
bonds (distance) P-C4' energy: -126.404
flat angles C4'-P-C4' energy: -93.770
flat angles P-C4'-P energy: -57.019
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -591.486262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.486262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.486262 (E_RNA)
where:
Base-Base interactions energy: -283.325
where: short stacking energy: -171.363
Base-Backbone interact. energy: -0.893
local terms energy: -307.267921
where:
bonds (distance) C4'-P energy: -94.498
bonds (distance) P-C4' energy: -93.700
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -55.340
tors. eta vs tors. theta energy: 11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2197.364131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.364131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.364131 (E_RNA)
where:
Base-Base interactions energy: -1493.102
where: short stacking energy: -642.679
Base-Backbone interact. energy: -2.645
local terms energy: -701.617265
where:
bonds (distance) C4'-P energy: -133.853
bonds (distance) P-C4' energy: -125.211
flat angles C4'-P-C4' energy: -143.501
flat angles P-C4'-P energy: -98.566
tors. eta vs tors. theta energy: -200.486
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2088.069147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.069147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.069147 (E_RNA)
where:
Base-Base interactions energy: -1449.126
where: short stacking energy: -595.699
Base-Backbone interact. energy: -3.795
local terms energy: -635.148174
where:
bonds (distance) C4'-P energy: -122.108
bonds (distance) P-C4' energy: -129.933
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -85.469
tors. eta vs tors. theta energy: -160.699
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: 320
Temperature: 1.000000
Total energy: -2014.592148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.592148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.592148 (E_RNA)
where:
Base-Base interactions energy: -1382.507
where: short stacking energy: -584.171
Base-Backbone interact. energy: 0.754
local terms energy: -632.839889
where:
bonds (distance) C4'-P energy: -135.089
bonds (distance) P-C4' energy: -109.804
flat angles C4'-P-C4' energy: -139.843
flat angles P-C4'-P energy: -83.269
tors. eta vs tors. theta energy: -164.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1890.709179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.709179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.709179 (E_RNA)
where:
Base-Base interactions energy: -1276.737
where: short stacking energy: -535.121
Base-Backbone interact. energy: 0.616
local terms energy: -614.587393
where:
bonds (distance) C4'-P energy: -124.018
bonds (distance) P-C4' energy: -116.906
flat angles C4'-P-C4' energy: -130.548
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -149.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1669.665248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.665248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.665248 (E_RNA)
where:
Base-Base interactions energy: -1119.523
where: short stacking energy: -480.185
Base-Backbone interact. energy: 0.969
local terms energy: -551.111049
where:
bonds (distance) C4'-P energy: -117.483
bonds (distance) P-C4' energy: -121.259
flat angles C4'-P-C4' energy: -125.678
flat angles P-C4'-P energy: -59.652
tors. eta vs tors. theta energy: -127.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1527.796320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.796320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.796320 (E_RNA)
where:
Base-Base interactions energy: -1017.954
where: short stacking energy: -462.947
Base-Backbone interact. energy: -2.436
local terms energy: -507.405985
where:
bonds (distance) C4'-P energy: -97.382
bonds (distance) P-C4' energy: -105.770
flat angles C4'-P-C4' energy: -107.156
flat angles P-C4'-P energy: -80.316
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1406.980562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.980562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.980562 (E_RNA)
where:
Base-Base interactions energy: -879.862
where: short stacking energy: -418.361
Base-Backbone interact. energy: -2.814
local terms energy: -524.304127
where:
bonds (distance) C4'-P energy: -115.535
bonds (distance) P-C4' energy: -90.409
flat angles C4'-P-C4' energy: -131.026
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -117.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1022.941933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.941933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.941933 (E_RNA)
where:
Base-Base interactions energy: -624.163
where: short stacking energy: -311.821
Base-Backbone interact. energy: -0.481
local terms energy: -398.297865
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -95.022
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -41.877
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: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -830.812408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.812408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.812408 (E_RNA)
where:
Base-Base interactions energy: -451.300
where: short stacking energy: -231.900
Base-Backbone interact. energy: 1.087
local terms energy: -380.599728
where:
bonds (distance) C4'-P energy: -115.566
bonds (distance) P-C4' energy: -86.624
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -64.753
tors. eta vs tors. theta energy: -11.079
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: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -619.179556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.179556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.179556 (E_RNA)
where:
Base-Base interactions energy: -276.938
where: short stacking energy: -180.338
Base-Backbone interact. energy: -2.545
local terms energy: -339.696307
where:
bonds (distance) C4'-P energy: -89.981
bonds (distance) P-C4' energy: -101.028
flat angles C4'-P-C4' energy: -98.598
flat angles P-C4'-P energy: -66.467
tors. eta vs tors. theta energy: 16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2196.090895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.090895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.090895 (E_RNA)
where:
Base-Base interactions energy: -1507.594
where: short stacking energy: -656.033
Base-Backbone interact. energy: -0.367
local terms energy: -688.129930
where:
bonds (distance) C4'-P energy: -123.600
bonds (distance) P-C4' energy: -125.525
flat angles C4'-P-C4' energy: -129.750
flat angles P-C4'-P energy: -100.947
tors. eta vs tors. theta energy: -208.308
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2053.623071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.623071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.623071 (E_RNA)
where:
Base-Base interactions energy: -1405.962
where: short stacking energy: -565.325
Base-Backbone interact. energy: 2.035
local terms energy: -649.696338
where:
bonds (distance) C4'-P energy: -131.271
bonds (distance) P-C4' energy: -121.988
flat angles C4'-P-C4' energy: -141.213
flat angles P-C4'-P energy: -93.958
tors. eta vs tors. theta energy: -161.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2020.415931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.415931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.415931 (E_RNA)
where:
Base-Base interactions energy: -1437.018
where: short stacking energy: -592.898
Base-Backbone interact. energy: -0.930
local terms energy: -582.467492
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -113.709
flat angles C4'-P-C4' energy: -123.402
flat angles P-C4'-P energy: -83.234
tors. eta vs tors. theta energy: -155.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1872.359200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.359200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.359200 (E_RNA)
where:
Base-Base interactions energy: -1316.772
where: short stacking energy: -530.011
Base-Backbone interact. energy: -1.075
local terms energy: -554.511967
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -114.259
flat angles C4'-P-C4' energy: -122.214
flat angles P-C4'-P energy: -69.508
tors. eta vs tors. theta energy: -139.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1692.097370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.097370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.097370 (E_RNA)
where:
Base-Base interactions energy: -1115.700
where: short stacking energy: -504.093
Base-Backbone interact. energy: -3.173
local terms energy: -573.223744
where:
bonds (distance) C4'-P energy: -93.389
bonds (distance) P-C4' energy: -126.619
flat angles C4'-P-C4' energy: -121.232
flat angles P-C4'-P energy: -92.936
tors. eta vs tors. theta energy: -139.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1538.639735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.639735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.639735 (E_RNA)
where:
Base-Base interactions energy: -985.543
where: short stacking energy: -455.801
Base-Backbone interact. energy: -3.799
local terms energy: -549.298209
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -126.220
flat angles P-C4'-P energy: -82.201
tors. eta vs tors. theta energy: -114.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1356.620017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.620017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.620017 (E_RNA)
where:
Base-Base interactions energy: -838.710
where: short stacking energy: -374.962
Base-Backbone interact. energy: -0.507
local terms energy: -517.403005
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -132.059
flat angles C4'-P-C4' energy: -94.238
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -95.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1044.813138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.813138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.813138 (E_RNA)
where:
Base-Base interactions energy: -598.990
where: short stacking energy: -305.493
Base-Backbone interact. energy: -1.517
local terms energy: -444.306226
where:
bonds (distance) C4'-P energy: -103.174
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -117.921
flat angles P-C4'-P energy: -60.849
tors. eta vs tors. theta energy: -57.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -812.518905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.518905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.518905 (E_RNA)
where:
Base-Base interactions energy: -422.212
where: short stacking energy: -237.450
Base-Backbone interact. energy: 0.927
local terms energy: -391.233413
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -108.036
flat angles C4'-P-C4' energy: -94.694
flat angles P-C4'-P energy: -68.507
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -599.990144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.990144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.990144 (E_RNA)
where:
Base-Base interactions energy: -274.955
where: short stacking energy: -173.091
Base-Backbone interact. energy: 1.095
local terms energy: -326.130200
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -83.310
flat angles P-C4'-P energy: -38.320
tors. eta vs tors. theta energy: 10.366
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: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2209.848718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.848718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.848718 (E_RNA)
where:
Base-Base interactions energy: -1517.473
where: short stacking energy: -656.775
Base-Backbone interact. energy: -2.453
local terms energy: -689.922631
where:
bonds (distance) C4'-P energy: -129.542
bonds (distance) P-C4' energy: -122.072
flat angles C4'-P-C4' energy: -139.497
flat angles P-C4'-P energy: -101.425
tors. eta vs tors. theta energy: -197.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2057.768663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.768663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.768663 (E_RNA)
where:
Base-Base interactions energy: -1457.804
where: short stacking energy: -602.510
Base-Backbone interact. energy: -3.692
local terms energy: -596.272174
where:
bonds (distance) C4'-P energy: -99.008
bonds (distance) P-C4' energy: -120.825
flat angles C4'-P-C4' energy: -128.062
flat angles P-C4'-P energy: -85.114
tors. eta vs tors. theta energy: -163.263
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: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1986.885204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.885204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.885204 (E_RNA)
where:
Base-Base interactions energy: -1377.573
where: short stacking energy: -559.910
Base-Backbone interact. energy: -3.293
local terms energy: -606.018629
where:
bonds (distance) C4'-P energy: -112.444
bonds (distance) P-C4' energy: -121.092
flat angles C4'-P-C4' energy: -138.942
flat angles P-C4'-P energy: -73.727
tors. eta vs tors. theta energy: -159.813
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: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1893.600537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.600537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.600537 (E_RNA)
where:
Base-Base interactions energy: -1308.632
where: short stacking energy: -532.626
Base-Backbone interact. energy: 2.050
local terms energy: -587.018736
where:
bonds (distance) C4'-P energy: -119.666
bonds (distance) P-C4' energy: -117.933
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -78.224
tors. eta vs tors. theta energy: -148.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1695.605637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.605637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.605637 (E_RNA)
where:
Base-Base interactions energy: -1110.851
where: short stacking energy: -495.454
Base-Backbone interact. energy: -1.415
local terms energy: -583.340143
where:
bonds (distance) C4'-P energy: -112.143
bonds (distance) P-C4' energy: -126.706
flat angles C4'-P-C4' energy: -127.986
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -136.384
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: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1517.850894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.850894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.850894 (E_RNA)
where:
Base-Base interactions energy: -973.860
where: short stacking energy: -447.151
Base-Backbone interact. energy: -4.274
local terms energy: -539.716657
where:
bonds (distance) C4'-P energy: -126.006
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -121.949
flat angles P-C4'-P energy: -88.595
tors. eta vs tors. theta energy: -102.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1381.139751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.139751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.139751 (E_RNA)
where:
Base-Base interactions energy: -898.542
where: short stacking energy: -414.211
Base-Backbone interact. energy: 2.961
local terms energy: -485.558692
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -90.600
flat angles C4'-P-C4' energy: -116.184
flat angles P-C4'-P energy: -90.397
tors. eta vs tors. theta energy: -95.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1078.765558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.765558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.765558 (E_RNA)
where:
Base-Base interactions energy: -639.681
where: short stacking energy: -298.795
Base-Backbone interact. energy: -3.173
local terms energy: -435.911988
where:
bonds (distance) C4'-P energy: -87.158
bonds (distance) P-C4' energy: -119.020
flat angles C4'-P-C4' energy: -107.727
flat angles P-C4'-P energy: -70.028
tors. eta vs tors. theta energy: -51.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -827.307279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.307279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.307279 (E_RNA)
where:
Base-Base interactions energy: -460.608
where: short stacking energy: -247.331
Base-Backbone interact. energy: 2.023
local terms energy: -368.722542
where:
bonds (distance) C4'-P energy: -104.494
bonds (distance) P-C4' energy: -101.844
flat angles C4'-P-C4' energy: -97.895
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -610.044995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.044995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.044995 (E_RNA)
where:
Base-Base interactions energy: -260.646
where: short stacking energy: -167.952
Base-Backbone interact. energy: 1.100
local terms energy: -350.499419
where:
bonds (distance) C4'-P energy: -104.988
bonds (distance) P-C4' energy: -122.978
flat angles C4'-P-C4' energy: -86.172
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: 15.468
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: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2243.241204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.241204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.241204 (E_RNA)
where:
Base-Base interactions energy: -1527.998
where: short stacking energy: -662.835
Base-Backbone interact. energy: -1.330
local terms energy: -713.912631
where:
bonds (distance) C4'-P energy: -136.780
bonds (distance) P-C4' energy: -125.877
flat angles C4'-P-C4' energy: -141.427
flat angles P-C4'-P energy: -101.402
tors. eta vs tors. theta energy: -208.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2048.565359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.565359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.565359 (E_RNA)
where:
Base-Base interactions energy: -1419.463
where: short stacking energy: -599.864
Base-Backbone interact. energy: -4.551
local terms energy: -624.550926
where:
bonds (distance) C4'-P energy: -125.048
bonds (distance) P-C4' energy: -113.951
flat angles C4'-P-C4' energy: -136.790
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -168.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2030.240604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.240604 (E_RNA)
where:
Base-Base interactions energy: -1390.954
where: short stacking energy: -572.410
Base-Backbone interact. energy: -3.279
local terms energy: -636.007811
where:
bonds (distance) C4'-P energy: -123.137
bonds (distance) P-C4' energy: -136.015
flat angles C4'-P-C4' energy: -135.470
flat angles P-C4'-P energy: -90.627
tors. eta vs tors. theta energy: -150.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1923.175872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.175872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.175872 (E_RNA)
where:
Base-Base interactions energy: -1294.222
where: short stacking energy: -564.395
Base-Backbone interact. energy: -1.633
local terms energy: -627.320531
where:
bonds (distance) C4'-P energy: -104.236
bonds (distance) P-C4' energy: -134.820
flat angles C4'-P-C4' energy: -134.193
flat angles P-C4'-P energy: -92.009
tors. eta vs tors. theta energy: -162.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1706.470104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.470104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.470104 (E_RNA)
where:
Base-Base interactions energy: -1136.604
where: short stacking energy: -493.671
Base-Backbone interact. energy: -4.696
local terms energy: -565.170001
where:
bonds (distance) C4'-P energy: -93.117
bonds (distance) P-C4' energy: -105.793
flat angles C4'-P-C4' energy: -125.218
flat angles P-C4'-P energy: -92.049
tors. eta vs tors. theta energy: -148.993
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: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1513.035094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.035094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.035094 (E_RNA)
where:
Base-Base interactions energy: -995.277
where: short stacking energy: -470.193
Base-Backbone interact. energy: -2.611
local terms energy: -515.147718
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -120.082
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -122.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1345.604629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.604629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.604629 (E_RNA)
where:
Base-Base interactions energy: -886.260
where: short stacking energy: -407.158
Base-Backbone interact. energy: 0.211
local terms energy: -459.555957
where:
bonds (distance) C4'-P energy: -102.272
bonds (distance) P-C4' energy: -97.345
flat angles C4'-P-C4' energy: -103.053
flat angles P-C4'-P energy: -58.750
tors. eta vs tors. theta energy: -98.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -936.262187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.262187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.262187 (E_RNA)
where:
Base-Base interactions energy: -525.563
where: short stacking energy: -256.089
Base-Backbone interact. energy: -2.840
local terms energy: -407.859687
where:
bonds (distance) C4'-P energy: -108.738
bonds (distance) P-C4' energy: -113.144
flat angles C4'-P-C4' energy: -99.169
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -813.964910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.964910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.964910 (E_RNA)
where:
Base-Base interactions energy: -423.065
where: short stacking energy: -226.930
Base-Backbone interact. energy: 8.553
local terms energy: -399.453239
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -105.870
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -67.265
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -610.291690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.291690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.291690 (E_RNA)
where:
Base-Base interactions energy: -277.812
where: short stacking energy: -168.303
Base-Backbone interact. energy: -0.021
local terms energy: -332.459208
where:
bonds (distance) C4'-P energy: -106.790
bonds (distance) P-C4' energy: -95.994
flat angles C4'-P-C4' energy: -99.057
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: 25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2225.718182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.718182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.718182 (E_RNA)
where:
Base-Base interactions energy: -1533.318
where: short stacking energy: -669.508
Base-Backbone interact. energy: -1.850
local terms energy: -690.550477
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -126.579
flat angles C4'-P-C4' energy: -144.017
flat angles P-C4'-P energy: -101.485
tors. eta vs tors. theta energy: -204.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2033.930260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.930260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.930260 (E_RNA)
where:
Base-Base interactions energy: -1403.783
where: short stacking energy: -613.006
Base-Backbone interact. energy: -6.679
local terms energy: -623.468277
where:
bonds (distance) C4'-P energy: -109.732
bonds (distance) P-C4' energy: -116.775
flat angles C4'-P-C4' energy: -140.113
flat angles P-C4'-P energy: -93.593
tors. eta vs tors. theta energy: -163.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2009.980103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.980103 (E_RNA)
where:
Base-Base interactions energy: -1412.874
where: short stacking energy: -567.185
Base-Backbone interact. energy: -6.151
local terms energy: -590.954393
where:
bonds (distance) C4'-P energy: -116.767
bonds (distance) P-C4' energy: -105.700
flat angles C4'-P-C4' energy: -136.564
flat angles P-C4'-P energy: -85.094
tors. eta vs tors. theta energy: -146.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1917.791341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.791341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.791341 (E_RNA)
where:
Base-Base interactions energy: -1319.650
where: short stacking energy: -570.401
Base-Backbone interact. energy: -4.787
local terms energy: -593.354208
where:
bonds (distance) C4'-P energy: -110.442
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -137.846
flat angles P-C4'-P energy: -77.036
tors. eta vs tors. theta energy: -148.537
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: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1742.387170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.387170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.387170 (E_RNA)
where:
Base-Base interactions energy: -1162.236
where: short stacking energy: -508.653
Base-Backbone interact. energy: 0.476
local terms energy: -580.627201
where:
bonds (distance) C4'-P energy: -111.431
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -132.224
flat angles P-C4'-P energy: -87.627
tors. eta vs tors. theta energy: -143.069
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: 324
Temperature: 1.150000
Total energy: -1479.175602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.175602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.175602 (E_RNA)
where:
Base-Base interactions energy: -951.834
where: short stacking energy: -448.660
Base-Backbone interact. energy: -1.805
local terms energy: -525.535969
where:
bonds (distance) C4'-P energy: -105.428
bonds (distance) P-C4' energy: -114.153
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -78.374
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1347.216143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.216143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.216143 (E_RNA)
where:
Base-Base interactions energy: -872.923
where: short stacking energy: -414.830
Base-Backbone interact. energy: 3.404
local terms energy: -477.696504
where:
bonds (distance) C4'-P energy: -112.106
bonds (distance) P-C4' energy: -94.504
flat angles C4'-P-C4' energy: -106.670
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -91.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1017.585861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.585861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.585861 (E_RNA)
where:
Base-Base interactions energy: -572.697
where: short stacking energy: -276.996
Base-Backbone interact. energy: 5.064
local terms energy: -449.952951
where:
bonds (distance) C4'-P energy: -102.900
bonds (distance) P-C4' energy: -120.360
flat angles C4'-P-C4' energy: -101.441
flat angles P-C4'-P energy: -72.218
tors. eta vs tors. theta energy: -53.033
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -815.693228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.693228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.693228 (E_RNA)
where:
Base-Base interactions energy: -420.365
where: short stacking energy: -218.413
Base-Backbone interact. energy: 2.610
local terms energy: -397.938256
where:
bonds (distance) C4'-P energy: -102.157
bonds (distance) P-C4' energy: -126.362
flat angles C4'-P-C4' energy: -97.433
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -626.180170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.180170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.180170 (E_RNA)
where:
Base-Base interactions energy: -241.705
where: short stacking energy: -175.328
Base-Backbone interact. energy: 1.499
local terms energy: -385.973360
where:
bonds (distance) C4'-P energy: -113.407
bonds (distance) P-C4' energy: -116.738
flat angles C4'-P-C4' energy: -108.429
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: 1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2219.177602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.177602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.177602 (E_RNA)
where:
Base-Base interactions energy: -1522.776
where: short stacking energy: -675.412
Base-Backbone interact. energy: -0.620
local terms energy: -695.781086
where:
bonds (distance) C4'-P energy: -117.293
bonds (distance) P-C4' energy: -118.811
flat angles C4'-P-C4' energy: -151.491
flat angles P-C4'-P energy: -103.078
tors. eta vs tors. theta energy: -205.109
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: 325
Temperature: 0.950000
Total energy: -2070.024208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.024208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.024208 (E_RNA)
where:
Base-Base interactions energy: -1457.437
where: short stacking energy: -581.100
Base-Backbone interact. energy: 0.207
local terms energy: -612.793874
where:
bonds (distance) C4'-P energy: -119.294
bonds (distance) P-C4' energy: -118.893
flat angles C4'-P-C4' energy: -132.845
flat angles P-C4'-P energy: -93.326
tors. eta vs tors. theta energy: -148.436
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: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1989.457218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.457218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.457218 (E_RNA)
where:
Base-Base interactions energy: -1370.491
where: short stacking energy: -609.457
Base-Backbone interact. energy: -5.565
local terms energy: -613.401389
where:
bonds (distance) C4'-P energy: -105.476
bonds (distance) P-C4' energy: -109.832
flat angles C4'-P-C4' energy: -135.540
flat angles P-C4'-P energy: -92.855
tors. eta vs tors. theta energy: -169.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1909.223399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.223399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.223399 (E_RNA)
where:
Base-Base interactions energy: -1317.847
where: short stacking energy: -551.216
Base-Backbone interact. energy: 1.414
local terms energy: -592.789884
where:
bonds (distance) C4'-P energy: -110.483
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -114.061
flat angles P-C4'-P energy: -97.750
tors. eta vs tors. theta energy: -153.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1673.170220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.170220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.170220 (E_RNA)
where:
Base-Base interactions energy: -1145.965
where: short stacking energy: -500.293
Base-Backbone interact. energy: 0.319
local terms energy: -527.525106
where:
bonds (distance) C4'-P energy: -105.467
bonds (distance) P-C4' energy: -91.734
flat angles C4'-P-C4' energy: -121.718
flat angles P-C4'-P energy: -73.380
tors. eta vs tors. theta energy: -135.227
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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1515.680779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.680779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.680779 (E_RNA)
where:
Base-Base interactions energy: -964.501
where: short stacking energy: -446.984
Base-Backbone interact. energy: -3.075
local terms energy: -548.104669
where:
bonds (distance) C4'-P energy: -125.396
bonds (distance) P-C4' energy: -104.348
flat angles C4'-P-C4' energy: -116.912
flat angles P-C4'-P energy: -80.421
tors. eta vs tors. theta energy: -121.028
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: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1337.032574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.032574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.032574 (E_RNA)
where:
Base-Base interactions energy: -854.887
where: short stacking energy: -400.914
Base-Backbone interact. energy: -2.122
local terms energy: -480.024007
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -97.222
flat angles C4'-P-C4' energy: -119.556
flat angles P-C4'-P energy: -74.315
tors. eta vs tors. theta energy: -91.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -999.626764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.626764 (E_RNA)
where:
Base-Base interactions energy: -553.776
where: short stacking energy: -280.422
Base-Backbone interact. energy: -1.285
local terms energy: -444.565472
where:
bonds (distance) C4'-P energy: -117.298
bonds (distance) P-C4' energy: -115.353
flat angles C4'-P-C4' energy: -102.963
flat angles P-C4'-P energy: -62.696
tors. eta vs tors. theta energy: -46.255
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -832.580514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.580514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.580514 (E_RNA)
where:
Base-Base interactions energy: -445.179
where: short stacking energy: -246.083
Base-Backbone interact. energy: -2.755
local terms energy: -384.645801
where:
bonds (distance) C4'-P energy: -93.500
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -101.818
flat angles P-C4'-P energy: -55.934
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -615.147246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.147246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.147246 (E_RNA)
where:
Base-Base interactions energy: -289.503
where: short stacking energy: -197.502
Base-Backbone interact. energy: 1.209
local terms energy: -326.853317
where:
bonds (distance) C4'-P energy: -105.762
bonds (distance) P-C4' energy: -95.790
flat angles C4'-P-C4' energy: -74.098
flat angles P-C4'-P energy: -67.048
tors. eta vs tors. theta energy: 15.844
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: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2216.347862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.347862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.347862 (E_RNA)
where:
Base-Base interactions energy: -1513.842
where: short stacking energy: -641.859
Base-Backbone interact. energy: -2.823
local terms energy: -699.683417
where:
bonds (distance) C4'-P energy: -127.229
bonds (distance) P-C4' energy: -134.286
flat angles C4'-P-C4' energy: -140.426
flat angles P-C4'-P energy: -94.960
tors. eta vs tors. theta energy: -202.782
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2084.733207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.733207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.733207 (E_RNA)
where:
Base-Base interactions energy: -1435.146
where: short stacking energy: -592.839
Base-Backbone interact. energy: -1.625
local terms energy: -647.962755
where:
bonds (distance) C4'-P energy: -119.515
bonds (distance) P-C4' energy: -131.753
flat angles C4'-P-C4' energy: -147.427
flat angles P-C4'-P energy: -96.694
tors. eta vs tors. theta energy: -152.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2036.220479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.220479 (E_RNA)
where:
Base-Base interactions energy: -1401.104
where: short stacking energy: -611.388
Base-Backbone interact. energy: -0.080
local terms energy: -635.036118
where:
bonds (distance) C4'-P energy: -124.325
bonds (distance) P-C4' energy: -129.650
flat angles C4'-P-C4' energy: -126.682
flat angles P-C4'-P energy: -82.768
tors. eta vs tors. theta energy: -171.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1889.870798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.870798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.870798 (E_RNA)
where:
Base-Base interactions energy: -1281.116
where: short stacking energy: -551.235
Base-Backbone interact. energy: -2.661
local terms energy: -606.093234
where:
bonds (distance) C4'-P energy: -110.945
bonds (distance) P-C4' energy: -120.439
flat angles C4'-P-C4' energy: -127.382
flat angles P-C4'-P energy: -89.478
tors. eta vs tors. theta energy: -157.850
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1699.659987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.659987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.659987 (E_RNA)
where:
Base-Base interactions energy: -1112.888
where: short stacking energy: -499.644
Base-Backbone interact. energy: -2.340
local terms energy: -584.432116
where:
bonds (distance) C4'-P energy: -119.789
bonds (distance) P-C4' energy: -111.762
flat angles C4'-P-C4' energy: -129.228
flat angles P-C4'-P energy: -90.646
tors. eta vs tors. theta energy: -133.007
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: 326
Temperature: 1.150000
Total energy: -1466.588023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.588023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.588023 (E_RNA)
where:
Base-Base interactions energy: -940.267
where: short stacking energy: -478.226
Base-Backbone interact. energy: 3.619
local terms energy: -529.940241
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -116.903
flat angles C4'-P-C4' energy: -126.670
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -126.158
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: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1300.751571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.751571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.751571 (E_RNA)
where:
Base-Base interactions energy: -807.182
where: short stacking energy: -394.309
Base-Backbone interact. energy: 0.304
local terms energy: -493.873678
where:
bonds (distance) C4'-P energy: -112.154
bonds (distance) P-C4' energy: -111.751
flat angles C4'-P-C4' energy: -113.309
flat angles P-C4'-P energy: -74.556
tors. eta vs tors. theta energy: -82.104
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: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -975.422524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.422524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.422524 (E_RNA)
where:
Base-Base interactions energy: -579.310
where: short stacking energy: -274.360
Base-Backbone interact. energy: -0.288
local terms energy: -395.823912
where:
bonds (distance) C4'-P energy: -90.856
bonds (distance) P-C4' energy: -115.151
flat angles C4'-P-C4' energy: -102.861
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -32.405
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: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -754.657299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.657299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.657299 (E_RNA)
where:
Base-Base interactions energy: -396.951
where: short stacking energy: -231.355
Base-Backbone interact. energy: -2.039
local terms energy: -355.667625
where:
bonds (distance) C4'-P energy: -96.771
bonds (distance) P-C4' energy: -77.455
flat angles C4'-P-C4' energy: -97.670
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -605.200168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.200168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.200168 (E_RNA)
where:
Base-Base interactions energy: -285.878
where: short stacking energy: -187.576
Base-Backbone interact. energy: 5.788
local terms energy: -325.110510
where:
bonds (distance) C4'-P energy: -90.433
bonds (distance) P-C4' energy: -100.511
flat angles C4'-P-C4' energy: -91.546
flat angles P-C4'-P energy: -33.897
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2192.764673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.764673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.764673 (E_RNA)
where:
Base-Base interactions energy: -1482.144
where: short stacking energy: -657.118
Base-Backbone interact. energy: -1.163
local terms energy: -709.457247
where:
bonds (distance) C4'-P energy: -133.445
bonds (distance) P-C4' energy: -135.219
flat angles C4'-P-C4' energy: -143.648
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -207.647
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: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2104.447627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.447627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.447627 (E_RNA)
where:
Base-Base interactions energy: -1460.043
where: short stacking energy: -601.612
Base-Backbone interact. energy: -2.474
local terms energy: -641.930408
where:
bonds (distance) C4'-P energy: -126.080
bonds (distance) P-C4' energy: -122.334
flat angles C4'-P-C4' energy: -135.817
flat angles P-C4'-P energy: -96.162
tors. eta vs tors. theta energy: -161.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1965.193667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.193667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.193667 (E_RNA)
where:
Base-Base interactions energy: -1343.328
where: short stacking energy: -564.944
Base-Backbone interact. energy: -2.535
local terms energy: -619.330193
where:
bonds (distance) C4'-P energy: -112.091
bonds (distance) P-C4' energy: -121.506
flat angles C4'-P-C4' energy: -129.447
flat angles P-C4'-P energy: -98.493
tors. eta vs tors. theta energy: -157.795
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: 327
Temperature: 1.050000
Total energy: -1917.308421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.308421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.308421 (E_RNA)
where:
Base-Base interactions energy: -1304.725
where: short stacking energy: -561.886
Base-Backbone interact. energy: -1.723
local terms energy: -610.859796
where:
bonds (distance) C4'-P energy: -110.848
bonds (distance) P-C4' energy: -119.313
flat angles C4'-P-C4' energy: -129.534
flat angles P-C4'-P energy: -81.415
tors. eta vs tors. theta energy: -169.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1752.313402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.313402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.313402 (E_RNA)
where:
Base-Base interactions energy: -1184.188
where: short stacking energy: -503.968
Base-Backbone interact. energy: -1.040
local terms energy: -567.085317
where:
bonds (distance) C4'-P energy: -124.403
bonds (distance) P-C4' energy: -88.979
flat angles C4'-P-C4' energy: -127.832
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -141.259
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: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1405.569279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.569279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.569279 (E_RNA)
where:
Base-Base interactions energy: -883.265
where: short stacking energy: -433.134
Base-Backbone interact. energy: 4.442
local terms energy: -526.746394
where:
bonds (distance) C4'-P energy: -120.992
bonds (distance) P-C4' energy: -113.559
flat angles C4'-P-C4' energy: -115.180
flat angles P-C4'-P energy: -67.619
tors. eta vs tors. theta energy: -109.396
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1301.143685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.143685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.143685 (E_RNA)
where:
Base-Base interactions energy: -841.798
where: short stacking energy: -425.089
Base-Backbone interact. energy: 1.406
local terms energy: -460.752009
where:
bonds (distance) C4'-P energy: -115.772
bonds (distance) P-C4' energy: -90.289
flat angles C4'-P-C4' energy: -102.936
flat angles P-C4'-P energy: -65.636
tors. eta vs tors. theta energy: -86.120
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -987.597739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.597739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.597739 (E_RNA)
where:
Base-Base interactions energy: -603.143
where: short stacking energy: -299.471
Base-Backbone interact. energy: -0.207
local terms energy: -384.247759
where:
bonds (distance) C4'-P energy: -91.846
bonds (distance) P-C4' energy: -98.334
flat angles C4'-P-C4' energy: -95.051
flat angles P-C4'-P energy: -55.748
tors. eta vs tors. theta energy: -43.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -744.144010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.144010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.144010 (E_RNA)
where:
Base-Base interactions energy: -343.726
where: short stacking energy: -189.695
Base-Backbone interact. energy: -0.092
local terms energy: -400.325577
where:
bonds (distance) C4'-P energy: -104.984
bonds (distance) P-C4' energy: -116.637
flat angles C4'-P-C4' energy: -93.193
flat angles P-C4'-P energy: -72.080
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -623.731751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.731751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.731751 (E_RNA)
where:
Base-Base interactions energy: -277.015
where: short stacking energy: -186.741
Base-Backbone interact. energy: 1.622
local terms energy: -348.338370
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -120.878
flat angles C4'-P-C4' energy: -96.020
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: 10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2174.754116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.754116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.754116 (E_RNA)
where:
Base-Base interactions energy: -1491.674
where: short stacking energy: -659.941
Base-Backbone interact. energy: -1.744
local terms energy: -681.335929
where:
bonds (distance) C4'-P energy: -112.182
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -145.516
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -206.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2091.075087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.075087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.075087 (E_RNA)
where:
Base-Base interactions energy: -1448.813
where: short stacking energy: -608.425
Base-Backbone interact. energy: -4.290
local terms energy: -637.972500
where:
bonds (distance) C4'-P energy: -130.501
bonds (distance) P-C4' energy: -129.680
flat angles C4'-P-C4' energy: -126.521
flat angles P-C4'-P energy: -83.967
tors. eta vs tors. theta energy: -167.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1998.343951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.343951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.343951 (E_RNA)
where:
Base-Base interactions energy: -1380.289
where: short stacking energy: -583.363
Base-Backbone interact. energy: -0.114
local terms energy: -617.940588
where:
bonds (distance) C4'-P energy: -113.834
bonds (distance) P-C4' energy: -134.135
flat angles C4'-P-C4' energy: -117.742
flat angles P-C4'-P energy: -95.680
tors. eta vs tors. theta energy: -156.550
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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1916.576463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.576463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.576463 (E_RNA)
where:
Base-Base interactions energy: -1310.868
where: short stacking energy: -567.601
Base-Backbone interact. energy: 3.013
local terms energy: -608.720833
where:
bonds (distance) C4'-P energy: -110.291
bonds (distance) P-C4' energy: -116.473
flat angles C4'-P-C4' energy: -129.015
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -156.217
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: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1765.463466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.463466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.463466 (E_RNA)
where:
Base-Base interactions energy: -1169.645
where: short stacking energy: -505.980
Base-Backbone interact. energy: -1.293
local terms energy: -594.525874
where:
bonds (distance) C4'-P energy: -116.890
bonds (distance) P-C4' energy: -114.259
flat angles C4'-P-C4' energy: -127.023
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: -151.911
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: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1492.482363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.482363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.482363 (E_RNA)
where:
Base-Base interactions energy: -964.053
where: short stacking energy: -416.650
Base-Backbone interact. energy: -3.311
local terms energy: -525.117909
where:
bonds (distance) C4'-P energy: -107.764
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -117.789
flat angles P-C4'-P energy: -80.403
tors. eta vs tors. theta energy: -108.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1294.420505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.420505 (E_RNA)
where:
Base-Base interactions energy: -794.691
where: short stacking energy: -374.022
Base-Backbone interact. energy: -1.027
local terms energy: -498.702055
where:
bonds (distance) C4'-P energy: -116.419
bonds (distance) P-C4' energy: -103.808
flat angles C4'-P-C4' energy: -125.819
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -85.559
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: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -952.337564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.337564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.337564 (E_RNA)
where:
Base-Base interactions energy: -522.793
where: short stacking energy: -253.060
Base-Backbone interact. energy: -0.042
local terms energy: -429.502140
where:
bonds (distance) C4'-P energy: -98.449
bonds (distance) P-C4' energy: -119.902
flat angles C4'-P-C4' energy: -111.566
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -802.076779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.076779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.076779 (E_RNA)
where:
Base-Base interactions energy: -403.379
where: short stacking energy: -245.606
Base-Backbone interact. energy: 3.794
local terms energy: -402.491299
where:
bonds (distance) C4'-P energy: -112.118
bonds (distance) P-C4' energy: -133.412
flat angles C4'-P-C4' energy: -84.847
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -601.121460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.121460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.121460 (E_RNA)
where:
Base-Base interactions energy: -249.510
where: short stacking energy: -151.695
Base-Backbone interact. energy: -0.359
local terms energy: -351.252423
where:
bonds (distance) C4'-P energy: -87.984
bonds (distance) P-C4' energy: -119.397
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -76.127
tors. eta vs tors. theta energy: 5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2212.389162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.389162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.389162 (E_RNA)
where:
Base-Base interactions energy: -1489.331
where: short stacking energy: -655.624
Base-Backbone interact. energy: -2.676
local terms energy: -720.382696
where:
bonds (distance) C4'-P energy: -127.779
bonds (distance) P-C4' energy: -141.330
flat angles C4'-P-C4' energy: -152.576
flat angles P-C4'-P energy: -92.057
tors. eta vs tors. theta energy: -206.640
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: 329
Temperature: 0.950000
Total energy: -2114.002016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.002016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.002016 (E_RNA)
where:
Base-Base interactions energy: -1450.579
where: short stacking energy: -621.978
Base-Backbone interact. energy: -4.270
local terms energy: -659.152643
where:
bonds (distance) C4'-P energy: -121.921
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -135.105
flat angles P-C4'-P energy: -96.510
tors. eta vs tors. theta energy: -171.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1971.125869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.125869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.125869 (E_RNA)
where:
Base-Base interactions energy: -1377.075
where: short stacking energy: -585.352
Base-Backbone interact. energy: -3.941
local terms energy: -590.110263
where:
bonds (distance) C4'-P energy: -102.292
bonds (distance) P-C4' energy: -106.786
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -99.326
tors. eta vs tors. theta energy: -156.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1917.566593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.566593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.566593 (E_RNA)
where:
Base-Base interactions energy: -1338.527
where: short stacking energy: -553.443
Base-Backbone interact. energy: -5.400
local terms energy: -573.639412
where:
bonds (distance) C4'-P energy: -103.100
bonds (distance) P-C4' energy: -118.174
flat angles C4'-P-C4' energy: -128.978
flat angles P-C4'-P energy: -56.804
tors. eta vs tors. theta energy: -166.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1772.182150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.182150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.182150 (E_RNA)
where:
Base-Base interactions energy: -1189.736
where: short stacking energy: -497.509
Base-Backbone interact. energy: -3.997
local terms energy: -578.449684
where:
bonds (distance) C4'-P energy: -123.875
bonds (distance) P-C4' energy: -106.346
flat angles C4'-P-C4' energy: -125.167
flat angles P-C4'-P energy: -86.837
tors. eta vs tors. theta energy: -136.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1552.218997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.218997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.218997 (E_RNA)
where:
Base-Base interactions energy: -1022.832
where: short stacking energy: -480.462
Base-Backbone interact. energy: -2.136
local terms energy: -527.251026
where:
bonds (distance) C4'-P energy: -95.833
bonds (distance) P-C4' energy: -115.798
flat angles C4'-P-C4' energy: -114.789
flat angles P-C4'-P energy: -74.837
tors. eta vs tors. theta energy: -125.994
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1293.361924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.361924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.361924 (E_RNA)
where:
Base-Base interactions energy: -799.640
where: short stacking energy: -375.470
Base-Backbone interact. energy: -2.003
local terms energy: -491.719149
where:
bonds (distance) C4'-P energy: -109.772
bonds (distance) P-C4' energy: -116.182
flat angles C4'-P-C4' energy: -112.927
flat angles P-C4'-P energy: -68.988
tors. eta vs tors. theta energy: -83.850
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -954.404515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.404515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.404515 (E_RNA)
where:
Base-Base interactions energy: -560.143
where: short stacking energy: -297.079
Base-Backbone interact. energy: 6.547
local terms energy: -400.809345
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -106.636
flat angles P-C4'-P energy: -57.751
tors. eta vs tors. theta energy: -39.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -805.785932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.785932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.785932 (E_RNA)
where:
Base-Base interactions energy: -378.526
where: short stacking energy: -217.379
Base-Backbone interact. energy: -2.398
local terms energy: -424.861485
where:
bonds (distance) C4'-P energy: -106.124
bonds (distance) P-C4' energy: -129.299
flat angles C4'-P-C4' energy: -99.947
flat angles P-C4'-P energy: -79.461
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -612.937838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.937838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.937838 (E_RNA)
where:
Base-Base interactions energy: -293.068
where: short stacking energy: -180.636
Base-Backbone interact. energy: -5.183
local terms energy: -314.687043
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -114.447
flat angles C4'-P-C4' energy: -87.128
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: 34.799
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: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2206.766108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.766108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.766108 (E_RNA)
where:
Base-Base interactions energy: -1502.832
where: short stacking energy: -645.406
Base-Backbone interact. energy: -6.241
local terms energy: -697.692572
where:
bonds (distance) C4'-P energy: -127.864
bonds (distance) P-C4' energy: -135.518
flat angles C4'-P-C4' energy: -141.551
flat angles P-C4'-P energy: -93.926
tors. eta vs tors. theta energy: -198.835
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2100.346794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.346794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.346794 (E_RNA)
where:
Base-Base interactions energy: -1470.750
where: short stacking energy: -596.865
Base-Backbone interact. energy: -3.918
local terms energy: -625.678677
where:
bonds (distance) C4'-P energy: -109.542
bonds (distance) P-C4' energy: -128.803
flat angles C4'-P-C4' energy: -134.003
flat angles P-C4'-P energy: -96.948
tors. eta vs tors. theta energy: -156.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1968.128594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.128594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.128594 (E_RNA)
where:
Base-Base interactions energy: -1367.685
where: short stacking energy: -577.038
Base-Backbone interact. energy: -1.180
local terms energy: -599.263421
where:
bonds (distance) C4'-P energy: -124.374
bonds (distance) P-C4' energy: -103.157
flat angles C4'-P-C4' energy: -125.867
flat angles P-C4'-P energy: -82.949
tors. eta vs tors. theta energy: -162.916
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: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1925.359951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.359951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.359951 (E_RNA)
where:
Base-Base interactions energy: -1303.806
where: short stacking energy: -557.320
Base-Backbone interact. energy: -3.067
local terms energy: -618.486603
where:
bonds (distance) C4'-P energy: -117.095
bonds (distance) P-C4' energy: -130.483
flat angles C4'-P-C4' energy: -117.033
flat angles P-C4'-P energy: -87.546
tors. eta vs tors. theta energy: -166.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1733.198771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.198771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.198771 (E_RNA)
where:
Base-Base interactions energy: -1168.157
where: short stacking energy: -501.215
Base-Backbone interact. energy: -1.133
local terms energy: -563.908547
where:
bonds (distance) C4'-P energy: -112.280
bonds (distance) P-C4' energy: -117.466
flat angles C4'-P-C4' energy: -133.969
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -126.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1606.213428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.213428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.213428 (E_RNA)
where:
Base-Base interactions energy: -1041.170
where: short stacking energy: -465.837
Base-Backbone interact. energy: 0.535
local terms energy: -565.577713
where:
bonds (distance) C4'-P energy: -104.741
bonds (distance) P-C4' energy: -114.904
flat angles C4'-P-C4' energy: -131.296
flat angles P-C4'-P energy: -88.358
tors. eta vs tors. theta energy: -126.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1274.661354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.661354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.661354 (E_RNA)
where:
Base-Base interactions energy: -813.729
where: short stacking energy: -397.708
Base-Backbone interact. energy: -0.761
local terms energy: -460.171487
where:
bonds (distance) C4'-P energy: -100.374
bonds (distance) P-C4' energy: -84.486
flat angles C4'-P-C4' energy: -117.768
flat angles P-C4'-P energy: -74.354
tors. eta vs tors. theta energy: -83.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -928.746331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.746331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.746331 (E_RNA)
where:
Base-Base interactions energy: -505.614
where: short stacking energy: -271.018
Base-Backbone interact. energy: -0.117
local terms energy: -423.015808
where:
bonds (distance) C4'-P energy: -102.087
bonds (distance) P-C4' energy: -114.397
flat angles C4'-P-C4' energy: -94.253
flat angles P-C4'-P energy: -76.644
tors. eta vs tors. theta energy: -35.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -786.903560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.903560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.903560 (E_RNA)
where:
Base-Base interactions energy: -401.236
where: short stacking energy: -236.657
Base-Backbone interact. energy: -2.763
local terms energy: -382.904453
where:
bonds (distance) C4'-P energy: -87.461
bonds (distance) P-C4' energy: -125.486
flat angles C4'-P-C4' energy: -94.445
flat angles P-C4'-P energy: -61.479
tors. eta vs tors. theta energy: -14.033
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: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -675.383608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.383608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.383608 (E_RNA)
where:
Base-Base interactions energy: -308.993
where: short stacking energy: -189.635
Base-Backbone interact. energy: -0.184
local terms energy: -366.207423
where:
bonds (distance) C4'-P energy: -93.177
bonds (distance) P-C4' energy: -104.591
flat angles C4'-P-C4' energy: -105.706
flat angles P-C4'-P energy: -60.496
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2181.861768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.861768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.861768 (E_RNA)
where:
Base-Base interactions energy: -1497.158
where: short stacking energy: -643.990
Base-Backbone interact. energy: -1.199
local terms energy: -683.505033
where:
bonds (distance) C4'-P energy: -128.801
bonds (distance) P-C4' energy: -125.311
flat angles C4'-P-C4' energy: -143.878
flat angles P-C4'-P energy: -86.289
tors. eta vs tors. theta energy: -199.226
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2090.480116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.480116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.480116 (E_RNA)
where:
Base-Base interactions energy: -1465.758
where: short stacking energy: -604.512
Base-Backbone interact. energy: -4.025
local terms energy: -620.697292
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -132.159
flat angles C4'-P-C4' energy: -140.574
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -154.229
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1970.846196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.846196 (E_RNA)
where:
Base-Base interactions energy: -1313.144
where: short stacking energy: -597.235
Base-Backbone interact. energy: -3.145
local terms energy: -654.556718
where:
bonds (distance) C4'-P energy: -118.942
bonds (distance) P-C4' energy: -131.895
flat angles C4'-P-C4' energy: -143.189
flat angles P-C4'-P energy: -94.756
tors. eta vs tors. theta energy: -165.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1926.987967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.987967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.987967 (E_RNA)
where:
Base-Base interactions energy: -1319.970
where: short stacking energy: -563.469
Base-Backbone interact. energy: -1.799
local terms energy: -605.219150
where:
bonds (distance) C4'-P energy: -114.212
bonds (distance) P-C4' energy: -115.257
flat angles C4'-P-C4' energy: -130.987
flat angles P-C4'-P energy: -73.753
tors. eta vs tors. theta energy: -171.010
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1703.375870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.375870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.375870 (E_RNA)
where:
Base-Base interactions energy: -1138.779
where: short stacking energy: -504.509
Base-Backbone interact. energy: -3.031
local terms energy: -561.565964
where:
bonds (distance) C4'-P energy: -108.753
bonds (distance) P-C4' energy: -107.197
flat angles C4'-P-C4' energy: -126.827
flat angles P-C4'-P energy: -75.658
tors. eta vs tors. theta energy: -143.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1590.364536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.364536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.364536 (E_RNA)
where:
Base-Base interactions energy: -1056.570
where: short stacking energy: -481.153
Base-Backbone interact. energy: -2.729
local terms energy: -531.065209
where:
bonds (distance) C4'-P energy: -84.524
bonds (distance) P-C4' energy: -109.696
flat angles C4'-P-C4' energy: -125.678
flat angles P-C4'-P energy: -72.511
tors. eta vs tors. theta energy: -138.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1277.372167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.372167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.372167 (E_RNA)
where:
Base-Base interactions energy: -808.956
where: short stacking energy: -427.397
Base-Backbone interact. energy: -2.678
local terms energy: -465.738351
where:
bonds (distance) C4'-P energy: -97.647
bonds (distance) P-C4' energy: -88.669
flat angles C4'-P-C4' energy: -113.721
flat angles P-C4'-P energy: -59.718
tors. eta vs tors. theta energy: -105.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -901.998531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.998531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.998531 (E_RNA)
where:
Base-Base interactions energy: -466.037
where: short stacking energy: -243.340
Base-Backbone interact. energy: 0.852
local terms energy: -436.813473
where:
bonds (distance) C4'-P energy: -105.010
bonds (distance) P-C4' energy: -116.991
flat angles C4'-P-C4' energy: -120.246
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -773.258707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.258707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.258707 (E_RNA)
where:
Base-Base interactions energy: -379.841
where: short stacking energy: -201.033
Base-Backbone interact. energy: 0.748
local terms energy: -394.165838
where:
bonds (distance) C4'-P energy: -104.912
bonds (distance) P-C4' energy: -112.599
flat angles C4'-P-C4' energy: -91.736
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -650.750739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.750739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.750739 (E_RNA)
where:
Base-Base interactions energy: -338.407
where: short stacking energy: -194.584
Base-Backbone interact. energy: -1.166
local terms energy: -311.177354
where:
bonds (distance) C4'-P energy: -74.016
bonds (distance) P-C4' energy: -99.843
flat angles C4'-P-C4' energy: -102.535
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: 19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2189.265265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.265265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.265265 (E_RNA)
where:
Base-Base interactions energy: -1493.099
where: short stacking energy: -674.359
Base-Backbone interact. energy: -1.925
local terms energy: -694.240860
where:
bonds (distance) C4'-P energy: -118.644
bonds (distance) P-C4' energy: -131.630
flat angles C4'-P-C4' energy: -143.633
flat angles P-C4'-P energy: -92.796
tors. eta vs tors. theta energy: -207.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2106.826205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.826205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.826205 (E_RNA)
where:
Base-Base interactions energy: -1463.650
where: short stacking energy: -611.820
Base-Backbone interact. energy: -3.383
local terms energy: -639.793324
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -116.710
flat angles C4'-P-C4' energy: -133.821
flat angles P-C4'-P energy: -89.425
tors. eta vs tors. theta energy: -179.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2003.516656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.516656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.516656 (E_RNA)
where:
Base-Base interactions energy: -1377.921
where: short stacking energy: -591.787
Base-Backbone interact. energy: -0.826
local terms energy: -624.769323
where:
bonds (distance) C4'-P energy: -119.804
bonds (distance) P-C4' energy: -101.448
flat angles C4'-P-C4' energy: -131.574
flat angles P-C4'-P energy: -90.244
tors. eta vs tors. theta energy: -181.699
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: 332
Temperature: 1.050000
Total energy: -1913.987512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.987512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.987512 (E_RNA)
where:
Base-Base interactions energy: -1324.048
where: short stacking energy: -568.896
Base-Backbone interact. energy: 1.674
local terms energy: -591.612969
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -108.869
flat angles C4'-P-C4' energy: -138.728
flat angles P-C4'-P energy: -81.912
tors. eta vs tors. theta energy: -156.020
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: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1676.842530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.842530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.842530 (E_RNA)
where:
Base-Base interactions energy: -1104.392
where: short stacking energy: -476.132
Base-Backbone interact. energy: -2.130
local terms energy: -570.320586
where:
bonds (distance) C4'-P energy: -111.997
bonds (distance) P-C4' energy: -115.260
flat angles C4'-P-C4' energy: -123.132
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -139.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1555.535353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.535353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.535353 (E_RNA)
where:
Base-Base interactions energy: -987.716
where: short stacking energy: -457.071
Base-Backbone interact. energy: -4.999
local terms energy: -562.820220
where:
bonds (distance) C4'-P energy: -111.882
bonds (distance) P-C4' energy: -111.294
flat angles C4'-P-C4' energy: -116.624
flat angles P-C4'-P energy: -98.446
tors. eta vs tors. theta energy: -124.574
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1267.487429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.487429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.487429 (E_RNA)
where:
Base-Base interactions energy: -768.586
where: short stacking energy: -391.248
Base-Backbone interact. energy: -2.168
local terms energy: -496.733122
where:
bonds (distance) C4'-P energy: -113.210
bonds (distance) P-C4' energy: -124.161
flat angles C4'-P-C4' energy: -113.691
flat angles P-C4'-P energy: -58.200
tors. eta vs tors. theta energy: -87.471
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -975.932237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.932237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.932237 (E_RNA)
where:
Base-Base interactions energy: -565.966
where: short stacking energy: -293.348
Base-Backbone interact. energy: 3.980
local terms energy: -413.946326
where:
bonds (distance) C4'-P energy: -99.122
bonds (distance) P-C4' energy: -108.868
flat angles C4'-P-C4' energy: -96.739
flat angles P-C4'-P energy: -59.865
tors. eta vs tors. theta energy: -49.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -810.178394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.178394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.178394 (E_RNA)
where:
Base-Base interactions energy: -452.528
where: short stacking energy: -213.976
Base-Backbone interact. energy: 2.241
local terms energy: -359.891886
where:
bonds (distance) C4'-P energy: -96.549
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -88.058
flat angles P-C4'-P energy: -68.676
tors. eta vs tors. theta energy: 5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -650.659638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.659638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.659638 (E_RNA)
where:
Base-Base interactions energy: -307.342
where: short stacking energy: -187.119
Base-Backbone interact. energy: -2.251
local terms energy: -341.067231
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -108.295
flat angles C4'-P-C4' energy: -79.490
flat angles P-C4'-P energy: -61.977
tors. eta vs tors. theta energy: 7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2173.485187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.485187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.485187 (E_RNA)
where:
Base-Base interactions energy: -1468.743
where: short stacking energy: -662.096
Base-Backbone interact. energy: -3.302
local terms energy: -701.440581
where:
bonds (distance) C4'-P energy: -127.391
bonds (distance) P-C4' energy: -140.221
flat angles C4'-P-C4' energy: -138.985
flat angles P-C4'-P energy: -85.443
tors. eta vs tors. theta energy: -209.401
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: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2102.070646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.070646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.070646 (E_RNA)
where:
Base-Base interactions energy: -1472.045
where: short stacking energy: -607.514
Base-Backbone interact. energy: 6.874
local terms energy: -636.899955
where:
bonds (distance) C4'-P energy: -116.271
bonds (distance) P-C4' energy: -133.998
flat angles C4'-P-C4' energy: -145.064
flat angles P-C4'-P energy: -86.474
tors. eta vs tors. theta energy: -155.094
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: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1951.729179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.729179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.729179 (E_RNA)
where:
Base-Base interactions energy: -1329.236
where: short stacking energy: -563.508
Base-Backbone interact. energy: -1.910
local terms energy: -620.583398
where:
bonds (distance) C4'-P energy: -124.005
bonds (distance) P-C4' energy: -114.282
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -88.703
tors. eta vs tors. theta energy: -159.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1923.601258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.601258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.601258 (E_RNA)
where:
Base-Base interactions energy: -1317.963
where: short stacking energy: -573.048
Base-Backbone interact. energy: -2.978
local terms energy: -602.660007
where:
bonds (distance) C4'-P energy: -112.491
bonds (distance) P-C4' energy: -103.388
flat angles C4'-P-C4' energy: -139.747
flat angles P-C4'-P energy: -94.088
tors. eta vs tors. theta energy: -152.947
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: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1702.014904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.014904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.014904 (E_RNA)
where:
Base-Base interactions energy: -1121.988
where: short stacking energy: -459.450
Base-Backbone interact. energy: -1.845
local terms energy: -578.181617
where:
bonds (distance) C4'-P energy: -106.443
bonds (distance) P-C4' energy: -140.139
flat angles C4'-P-C4' energy: -114.596
flat angles P-C4'-P energy: -94.511
tors. eta vs tors. theta energy: -122.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1546.237324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.237324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.237324 (E_RNA)
where:
Base-Base interactions energy: -980.115
where: short stacking energy: -475.368
Base-Backbone interact. energy: -4.483
local terms energy: -561.638824
where:
bonds (distance) C4'-P energy: -113.049
bonds (distance) P-C4' energy: -116.006
flat angles C4'-P-C4' energy: -128.500
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -115.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1271.327980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.327980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.327980 (E_RNA)
where:
Base-Base interactions energy: -798.531
where: short stacking energy: -381.855
Base-Backbone interact. energy: -1.262
local terms energy: -471.534901
where:
bonds (distance) C4'-P energy: -91.455
bonds (distance) P-C4' energy: -109.181
flat angles C4'-P-C4' energy: -120.236
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -94.967
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: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -928.252858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.252858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.252858 (E_RNA)
where:
Base-Base interactions energy: -515.663
where: short stacking energy: -256.098
Base-Backbone interact. energy: 2.459
local terms energy: -415.048762
where:
bonds (distance) C4'-P energy: -102.879
bonds (distance) P-C4' energy: -114.703
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -81.158
tors. eta vs tors. theta energy: -33.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -767.180043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.180043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.180043 (E_RNA)
where:
Base-Base interactions energy: -395.384
where: short stacking energy: -219.423
Base-Backbone interact. energy: -3.226
local terms energy: -368.570412
where:
bonds (distance) C4'-P energy: -111.646
bonds (distance) P-C4' energy: -95.544
flat angles C4'-P-C4' energy: -92.459
flat angles P-C4'-P energy: -57.022
tors. eta vs tors. theta energy: -11.901
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -642.680676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.680676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.680676 (E_RNA)
where:
Base-Base interactions energy: -312.457
where: short stacking energy: -181.957
Base-Backbone interact. energy: 6.904
local terms energy: -337.127306
where:
bonds (distance) C4'-P energy: -110.613
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -85.769
flat angles P-C4'-P energy: -37.146
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2179.146738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.146738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.146738 (E_RNA)
where:
Base-Base interactions energy: -1480.718
where: short stacking energy: -658.375
Base-Backbone interact. energy: 0.046
local terms energy: -698.474579
where:
bonds (distance) C4'-P energy: -128.429
bonds (distance) P-C4' energy: -125.880
flat angles C4'-P-C4' energy: -138.255
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -211.314
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: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2085.992339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.992339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.992339 (E_RNA)
where:
Base-Base interactions energy: -1462.006
where: short stacking energy: -603.793
Base-Backbone interact. energy: -2.387
local terms energy: -621.598666
where:
bonds (distance) C4'-P energy: -108.259
bonds (distance) P-C4' energy: -127.266
flat angles C4'-P-C4' energy: -140.981
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -162.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1962.559601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.559601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.559601 (E_RNA)
where:
Base-Base interactions energy: -1338.028
where: short stacking energy: -577.697
Base-Backbone interact. energy: -1.898
local terms energy: -622.633847
where:
bonds (distance) C4'-P energy: -121.780
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -139.179
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -157.021
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: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1905.804855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.804855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.804855 (E_RNA)
where:
Base-Base interactions energy: -1284.489
where: short stacking energy: -555.950
Base-Backbone interact. energy: -2.556
local terms energy: -618.759791
where:
bonds (distance) C4'-P energy: -126.426
bonds (distance) P-C4' energy: -117.207
flat angles C4'-P-C4' energy: -138.231
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -157.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1715.846787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.846787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.846787 (E_RNA)
where:
Base-Base interactions energy: -1164.926
where: short stacking energy: -516.665
Base-Backbone interact. energy: -2.758
local terms energy: -548.163056
where:
bonds (distance) C4'-P energy: -113.049
bonds (distance) P-C4' energy: -103.790
flat angles C4'-P-C4' energy: -116.533
flat angles P-C4'-P energy: -86.749
tors. eta vs tors. theta energy: -128.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1601.221127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.221127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.221127 (E_RNA)
where:
Base-Base interactions energy: -1061.845
where: short stacking energy: -491.299
Base-Backbone interact. energy: 0.759
local terms energy: -540.135092
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -90.615
tors. eta vs tors. theta energy: -127.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1297.177240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.177240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.177240 (E_RNA)
where:
Base-Base interactions energy: -812.454
where: short stacking energy: -383.494
Base-Backbone interact. energy: -3.219
local terms energy: -481.504117
where:
bonds (distance) C4'-P energy: -100.504
bonds (distance) P-C4' energy: -121.701
flat angles C4'-P-C4' energy: -107.595
flat angles P-C4'-P energy: -67.846
tors. eta vs tors. theta energy: -83.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -849.470314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.470314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.470314 (E_RNA)
where:
Base-Base interactions energy: -456.395
where: short stacking energy: -237.880
Base-Backbone interact. energy: -1.568
local terms energy: -391.506524
where:
bonds (distance) C4'-P energy: -91.364
bonds (distance) P-C4' energy: -94.754
flat angles C4'-P-C4' energy: -116.810
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: -25.594
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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -845.436154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.436154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.436154 (E_RNA)
where:
Base-Base interactions energy: -461.075
where: short stacking energy: -228.617
Base-Backbone interact. energy: 0.294
local terms energy: -384.655424
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -98.083
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -629.391844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.391844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.391844 (E_RNA)
where:
Base-Base interactions energy: -292.397
where: short stacking energy: -158.043
Base-Backbone interact. energy: 3.289
local terms energy: -340.283866
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -97.562
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: 19.607
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: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2191.839834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.839834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.839834 (E_RNA)
where:
Base-Base interactions energy: -1486.466
where: short stacking energy: -671.204
Base-Backbone interact. energy: -1.866
local terms energy: -703.508623
where:
bonds (distance) C4'-P energy: -122.430
bonds (distance) P-C4' energy: -140.226
flat angles C4'-P-C4' energy: -136.534
flat angles P-C4'-P energy: -91.084
tors. eta vs tors. theta energy: -213.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2083.622361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.622361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.622361 (E_RNA)
where:
Base-Base interactions energy: -1462.203
where: short stacking energy: -622.480
Base-Backbone interact. energy: -5.391
local terms energy: -616.028290
where:
bonds (distance) C4'-P energy: -114.817
bonds (distance) P-C4' energy: -111.740
flat angles C4'-P-C4' energy: -143.950
flat angles P-C4'-P energy: -82.436
tors. eta vs tors. theta energy: -163.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2021.910318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.910318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.910318 (E_RNA)
where:
Base-Base interactions energy: -1355.356
where: short stacking energy: -561.816
Base-Backbone interact. energy: -6.058
local terms energy: -660.496925
where:
bonds (distance) C4'-P energy: -125.609
bonds (distance) P-C4' energy: -127.435
flat angles C4'-P-C4' energy: -141.316
flat angles P-C4'-P energy: -96.384
tors. eta vs tors. theta energy: -169.752
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1875.983653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.983653 (E_RNA)
where:
Base-Base interactions energy: -1272.343
where: short stacking energy: -560.798
Base-Backbone interact. energy: 2.347
local terms energy: -605.987114
where:
bonds (distance) C4'-P energy: -109.290
bonds (distance) P-C4' energy: -119.668
flat angles C4'-P-C4' energy: -133.205
flat angles P-C4'-P energy: -85.990
tors. eta vs tors. theta energy: -157.834
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: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1729.446681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.446681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.446681 (E_RNA)
where:
Base-Base interactions energy: -1149.711
where: short stacking energy: -493.051
Base-Backbone interact. energy: -1.119
local terms energy: -578.616758
where:
bonds (distance) C4'-P energy: -106.420
bonds (distance) P-C4' energy: -126.013
flat angles C4'-P-C4' energy: -122.805
flat angles P-C4'-P energy: -87.059
tors. eta vs tors. theta energy: -136.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1590.266736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.266736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.266736 (E_RNA)
where:
Base-Base interactions energy: -1076.571
where: short stacking energy: -472.299
Base-Backbone interact. energy: -2.011
local terms energy: -511.685130
where:
bonds (distance) C4'-P energy: -87.717
bonds (distance) P-C4' energy: -103.792
flat angles C4'-P-C4' energy: -127.501
flat angles P-C4'-P energy: -72.812
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: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1272.042396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.042396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.042396 (E_RNA)
where:
Base-Base interactions energy: -796.575
where: short stacking energy: -386.354
Base-Backbone interact. energy: -1.155
local terms energy: -474.312235
where:
bonds (distance) C4'-P energy: -113.774
bonds (distance) P-C4' energy: -108.065
flat angles C4'-P-C4' energy: -111.407
flat angles P-C4'-P energy: -65.423
tors. eta vs tors. theta energy: -75.644
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: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -917.414314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.414314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.414314 (E_RNA)
where:
Base-Base interactions energy: -523.712
where: short stacking energy: -261.918
Base-Backbone interact. energy: -3.510
local terms energy: -390.192026
where:
bonds (distance) C4'-P energy: -107.121
bonds (distance) P-C4' energy: -109.941
flat angles C4'-P-C4' energy: -96.239
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -19.050
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: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -834.636734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.636734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.636734 (E_RNA)
where:
Base-Base interactions energy: -476.949
where: short stacking energy: -246.767
Base-Backbone interact. energy: 2.471
local terms energy: -360.158964
where:
bonds (distance) C4'-P energy: -94.340
bonds (distance) P-C4' energy: -95.713
flat angles C4'-P-C4' energy: -105.508
flat angles P-C4'-P energy: -52.066
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: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -677.996877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.996877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.996877 (E_RNA)
where:
Base-Base interactions energy: -334.525
where: short stacking energy: -194.815
Base-Backbone interact. energy: -0.488
local terms energy: -342.984014
where:
bonds (distance) C4'-P energy: -93.880
bonds (distance) P-C4' energy: -116.636
flat angles C4'-P-C4' energy: -100.732
flat angles P-C4'-P energy: -51.186
tors. eta vs tors. theta energy: 19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2171.688696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.688696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.688696 (E_RNA)
where:
Base-Base interactions energy: -1463.188
where: short stacking energy: -639.849
Base-Backbone interact. energy: -5.169
local terms energy: -703.332334
where:
bonds (distance) C4'-P energy: -127.937
bonds (distance) P-C4' energy: -134.254
flat angles C4'-P-C4' energy: -141.748
flat angles P-C4'-P energy: -92.057
tors. eta vs tors. theta energy: -207.337
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: 336
Temperature: 0.950000
Total energy: -2079.106394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.106394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.106394 (E_RNA)
where:
Base-Base interactions energy: -1440.784
where: short stacking energy: -578.055
Base-Backbone interact. energy: -8.881
local terms energy: -629.441155
where:
bonds (distance) C4'-P energy: -118.907
bonds (distance) P-C4' energy: -137.220
flat angles C4'-P-C4' energy: -137.089
flat angles P-C4'-P energy: -88.730
tors. eta vs tors. theta energy: -147.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1945.086123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.086123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.086123 (E_RNA)
where:
Base-Base interactions energy: -1312.150
where: short stacking energy: -563.419
Base-Backbone interact. energy: -3.003
local terms energy: -629.932418
where:
bonds (distance) C4'-P energy: -124.496
bonds (distance) P-C4' energy: -124.148
flat angles C4'-P-C4' energy: -116.696
flat angles P-C4'-P energy: -105.075
tors. eta vs tors. theta energy: -159.517
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: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1884.899939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.899939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.899939 (E_RNA)
where:
Base-Base interactions energy: -1258.182
where: short stacking energy: -537.089
Base-Backbone interact. energy: -0.929
local terms energy: -625.789559
where:
bonds (distance) C4'-P energy: -115.229
bonds (distance) P-C4' energy: -138.755
flat angles C4'-P-C4' energy: -126.597
flat angles P-C4'-P energy: -90.790
tors. eta vs tors. theta energy: -154.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1786.074863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.074863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.074863 (E_RNA)
where:
Base-Base interactions energy: -1186.387
where: short stacking energy: -506.855
Base-Backbone interact. energy: -2.081
local terms energy: -597.606534
where:
bonds (distance) C4'-P energy: -121.419
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -131.313
flat angles P-C4'-P energy: -83.775
tors. eta vs tors. theta energy: -151.528
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: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1599.916780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.916780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.916780 (E_RNA)
where:
Base-Base interactions energy: -1044.162
where: short stacking energy: -449.365
Base-Backbone interact. energy: -2.389
local terms energy: -553.365726
where:
bonds (distance) C4'-P energy: -101.433
bonds (distance) P-C4' energy: -110.474
flat angles C4'-P-C4' energy: -130.913
flat angles P-C4'-P energy: -85.027
tors. eta vs tors. theta energy: -125.518
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1265.839600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.839600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.839600 (E_RNA)
where:
Base-Base interactions energy: -790.781
where: short stacking energy: -354.319
Base-Backbone interact. energy: -3.743
local terms energy: -471.315979
where:
bonds (distance) C4'-P energy: -106.160
bonds (distance) P-C4' energy: -115.742
flat angles C4'-P-C4' energy: -116.599
flat angles P-C4'-P energy: -69.177
tors. eta vs tors. theta energy: -63.638
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -892.854743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.854743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.854743 (E_RNA)
where:
Base-Base interactions energy: -503.696
where: short stacking energy: -269.534
Base-Backbone interact. energy: -1.446
local terms energy: -387.712431
where:
bonds (distance) C4'-P energy: -96.602
bonds (distance) P-C4' energy: -102.364
flat angles C4'-P-C4' energy: -102.509
flat angles P-C4'-P energy: -62.241
tors. eta vs tors. theta energy: -23.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -874.557506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.557506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.557506 (E_RNA)
where:
Base-Base interactions energy: -482.514
where: short stacking energy: -262.904
Base-Backbone interact. energy: -0.910
local terms energy: -391.133298
where:
bonds (distance) C4'-P energy: -75.930
bonds (distance) P-C4' energy: -88.657
flat angles C4'-P-C4' energy: -118.328
flat angles P-C4'-P energy: -76.047
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -658.834748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.834748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.834748 (E_RNA)
where:
Base-Base interactions energy: -327.242
where: short stacking energy: -201.504
Base-Backbone interact. energy: 3.202
local terms energy: -334.794598
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -86.223
flat angles C4'-P-C4' energy: -77.655
flat angles P-C4'-P energy: -57.882
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2193.912688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.912688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.912688 (E_RNA)
where:
Base-Base interactions energy: -1504.809
where: short stacking energy: -673.362
Base-Backbone interact. energy: -3.555
local terms energy: -685.548508
where:
bonds (distance) C4'-P energy: -132.129
bonds (distance) P-C4' energy: -106.183
flat angles C4'-P-C4' energy: -150.838
flat angles P-C4'-P energy: -93.359
tors. eta vs tors. theta energy: -203.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2071.956094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.956094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.956094 (E_RNA)
where:
Base-Base interactions energy: -1444.689
where: short stacking energy: -605.374
Base-Backbone interact. energy: -4.179
local terms energy: -623.088949
where:
bonds (distance) C4'-P energy: -111.994
bonds (distance) P-C4' energy: -126.116
flat angles C4'-P-C4' energy: -134.505
flat angles P-C4'-P energy: -94.326
tors. eta vs tors. theta energy: -156.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1977.426604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.426604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.426604 (E_RNA)
where:
Base-Base interactions energy: -1341.963
where: short stacking energy: -554.955
Base-Backbone interact. energy: -4.116
local terms energy: -631.346963
where:
bonds (distance) C4'-P energy: -118.559
bonds (distance) P-C4' energy: -122.947
flat angles C4'-P-C4' energy: -148.171
flat angles P-C4'-P energy: -81.213
tors. eta vs tors. theta energy: -160.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1908.708777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.708777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.708777 (E_RNA)
where:
Base-Base interactions energy: -1284.375
where: short stacking energy: -557.525
Base-Backbone interact. energy: -3.276
local terms energy: -621.057939
where:
bonds (distance) C4'-P energy: -110.088
bonds (distance) P-C4' energy: -118.361
flat angles C4'-P-C4' energy: -135.158
flat angles P-C4'-P energy: -93.290
tors. eta vs tors. theta energy: -164.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1787.205301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.205301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.205301 (E_RNA)
where:
Base-Base interactions energy: -1191.902
where: short stacking energy: -531.240
Base-Backbone interact. energy: -3.521
local terms energy: -591.781875
where:
bonds (distance) C4'-P energy: -116.195
bonds (distance) P-C4' energy: -114.599
flat angles C4'-P-C4' energy: -134.434
flat angles P-C4'-P energy: -73.254
tors. eta vs tors. theta energy: -153.300
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: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1628.437009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.437009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.437009 (E_RNA)
where:
Base-Base interactions energy: -1094.513
where: short stacking energy: -501.424
Base-Backbone interact. energy: -5.605
local terms energy: -528.319145
where:
bonds (distance) C4'-P energy: -115.044
bonds (distance) P-C4' energy: -97.717
flat angles C4'-P-C4' energy: -107.772
flat angles P-C4'-P energy: -77.047
tors. eta vs tors. theta energy: -130.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1232.702673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.702673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.702673 (E_RNA)
where:
Base-Base interactions energy: -762.062
where: short stacking energy: -349.383
Base-Backbone interact. energy: -0.508
local terms energy: -470.132189
where:
bonds (distance) C4'-P energy: -103.708
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -120.634
flat angles P-C4'-P energy: -77.394
tors. eta vs tors. theta energy: -61.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -888.467874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.467874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.467874 (E_RNA)
where:
Base-Base interactions energy: -502.887
where: short stacking energy: -272.406
Base-Backbone interact. energy: -0.672
local terms energy: -384.909165
where:
bonds (distance) C4'-P energy: -89.574
bonds (distance) P-C4' energy: -110.478
flat angles C4'-P-C4' energy: -88.633
flat angles P-C4'-P energy: -62.466
tors. eta vs tors. theta energy: -33.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -862.876200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.876200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.876200 (E_RNA)
where:
Base-Base interactions energy: -475.152
where: short stacking energy: -274.814
Base-Backbone interact. energy: -1.563
local terms energy: -386.160967
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -111.786
flat angles C4'-P-C4' energy: -81.533
flat angles P-C4'-P energy: -78.775
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -667.806496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.806496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.806496 (E_RNA)
where:
Base-Base interactions energy: -350.787
where: short stacking energy: -201.512
Base-Backbone interact. energy: -2.231
local terms energy: -314.789368
where:
bonds (distance) C4'-P energy: -95.351
bonds (distance) P-C4' energy: -112.548
flat angles C4'-P-C4' energy: -74.956
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: 18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2161.474540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.474540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.474540 (E_RNA)
where:
Base-Base interactions energy: -1480.575
where: short stacking energy: -635.875
Base-Backbone interact. energy: 0.968
local terms energy: -681.867873
where:
bonds (distance) C4'-P energy: -119.389
bonds (distance) P-C4' energy: -119.883
flat angles C4'-P-C4' energy: -151.184
flat angles P-C4'-P energy: -96.548
tors. eta vs tors. theta energy: -194.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2089.676059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.676059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.676059 (E_RNA)
where:
Base-Base interactions energy: -1474.902
where: short stacking energy: -595.581
Base-Backbone interact. energy: -2.486
local terms energy: -612.288720
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -125.194
flat angles C4'-P-C4' energy: -127.316
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -153.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1998.133198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.133198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.133198 (E_RNA)
where:
Base-Base interactions energy: -1366.810
where: short stacking energy: -586.237
Base-Backbone interact. energy: -1.661
local terms energy: -629.662431
where:
bonds (distance) C4'-P energy: -112.234
bonds (distance) P-C4' energy: -120.682
flat angles C4'-P-C4' energy: -133.553
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -172.540
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1890.481653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.481653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.481653 (E_RNA)
where:
Base-Base interactions energy: -1286.728
where: short stacking energy: -522.336
Base-Backbone interact. energy: -1.946
local terms energy: -601.807364
where:
bonds (distance) C4'-P energy: -98.940
bonds (distance) P-C4' energy: -126.915
flat angles C4'-P-C4' energy: -133.306
flat angles P-C4'-P energy: -91.479
tors. eta vs tors. theta energy: -151.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1683.953260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.953260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.953260 (E_RNA)
where:
Base-Base interactions energy: -1125.800
where: short stacking energy: -529.210
Base-Backbone interact. energy: -0.927
local terms energy: -557.226238
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -104.966
flat angles C4'-P-C4' energy: -114.005
flat angles P-C4'-P energy: -91.117
tors. eta vs tors. theta energy: -140.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1691.113216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.113216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.113216 (E_RNA)
where:
Base-Base interactions energy: -1134.005
where: short stacking energy: -507.444
Base-Backbone interact. energy: -2.795
local terms energy: -554.313151
where:
bonds (distance) C4'-P energy: -110.104
bonds (distance) P-C4' energy: -111.692
flat angles C4'-P-C4' energy: -126.385
flat angles P-C4'-P energy: -71.474
tors. eta vs tors. theta energy: -134.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1273.529107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.529107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.529107 (E_RNA)
where:
Base-Base interactions energy: -809.640
where: short stacking energy: -376.409
Base-Backbone interact. energy: -0.366
local terms energy: -463.523804
where:
bonds (distance) C4'-P energy: -93.699
bonds (distance) P-C4' energy: -107.381
flat angles C4'-P-C4' energy: -115.086
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -80.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -910.659224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.659224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.659224 (E_RNA)
where:
Base-Base interactions energy: -492.428
where: short stacking energy: -258.040
Base-Backbone interact. energy: -0.824
local terms energy: -417.407913
where:
bonds (distance) C4'-P energy: -108.481
bonds (distance) P-C4' energy: -98.904
flat angles C4'-P-C4' energy: -126.943
flat angles P-C4'-P energy: -55.333
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -820.955563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.955563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.955563 (E_RNA)
where:
Base-Base interactions energy: -453.210
where: short stacking energy: -240.947
Base-Backbone interact. energy: -2.771
local terms energy: -364.974632
where:
bonds (distance) C4'-P energy: -90.460
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -91.052
flat angles P-C4'-P energy: -55.538
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -666.752403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.752403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.752403 (E_RNA)
where:
Base-Base interactions energy: -321.944
where: short stacking energy: -189.772
Base-Backbone interact. energy: -3.090
local terms energy: -341.718137
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -81.271
flat angles P-C4'-P energy: -64.776
tors. eta vs tors. theta energy: 11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2162.780065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.780065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.780065 (E_RNA)
where:
Base-Base interactions energy: -1459.599
where: short stacking energy: -632.265
Base-Backbone interact. energy: -4.682
local terms energy: -698.499649
where:
bonds (distance) C4'-P energy: -131.280
bonds (distance) P-C4' energy: -138.892
flat angles C4'-P-C4' energy: -136.606
flat angles P-C4'-P energy: -91.672
tors. eta vs tors. theta energy: -200.050
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: 339
Temperature: 0.950000
Total energy: -2091.377930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.377930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.377930 (E_RNA)
where:
Base-Base interactions energy: -1457.404
where: short stacking energy: -614.099
Base-Backbone interact. energy: -2.424
local terms energy: -631.549839
where:
bonds (distance) C4'-P energy: -129.248
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -142.752
flat angles P-C4'-P energy: -90.074
tors. eta vs tors. theta energy: -162.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2006.833529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.833529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.833529 (E_RNA)
where:
Base-Base interactions energy: -1389.704
where: short stacking energy: -587.590
Base-Backbone interact. energy: -3.538
local terms energy: -613.591388
where:
bonds (distance) C4'-P energy: -121.235
bonds (distance) P-C4' energy: -110.170
flat angles C4'-P-C4' energy: -136.736
flat angles P-C4'-P energy: -91.641
tors. eta vs tors. theta energy: -153.810
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: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1899.850223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.850223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.850223 (E_RNA)
where:
Base-Base interactions energy: -1265.628
where: short stacking energy: -549.929
Base-Backbone interact. energy: -3.115
local terms energy: -631.107352
where:
bonds (distance) C4'-P energy: -118.718
bonds (distance) P-C4' energy: -123.481
flat angles C4'-P-C4' energy: -134.106
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -158.612
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: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1664.114603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.114603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.114603 (E_RNA)
where:
Base-Base interactions energy: -1085.349
where: short stacking energy: -497.345
Base-Backbone interact. energy: -3.531
local terms energy: -575.234692
where:
bonds (distance) C4'-P energy: -114.625
bonds (distance) P-C4' energy: -115.438
flat angles C4'-P-C4' energy: -129.683
flat angles P-C4'-P energy: -75.880
tors. eta vs tors. theta energy: -139.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1744.951897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.951897 (E_RNA)
where:
Base-Base interactions energy: -1179.827
where: short stacking energy: -531.207
Base-Backbone interact. energy: -2.410
local terms energy: -562.714887
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -108.645
flat angles C4'-P-C4' energy: -118.646
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -134.121
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: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1212.486799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.486799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.486799 (E_RNA)
where:
Base-Base interactions energy: -769.294
where: short stacking energy: -362.604
Base-Backbone interact. energy: 2.403
local terms energy: -445.595911
where:
bonds (distance) C4'-P energy: -106.986
bonds (distance) P-C4' energy: -108.435
flat angles C4'-P-C4' energy: -109.054
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -64.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -884.015109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.015109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.015109 (E_RNA)
where:
Base-Base interactions energy: -505.780
where: short stacking energy: -266.510
Base-Backbone interact. energy: 0.917
local terms energy: -379.151876
where:
bonds (distance) C4'-P energy: -84.121
bonds (distance) P-C4' energy: -91.433
flat angles C4'-P-C4' energy: -111.588
flat angles P-C4'-P energy: -70.815
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -838.867231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.867231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.867231 (E_RNA)
where:
Base-Base interactions energy: -426.006
where: short stacking energy: -236.889
Base-Backbone interact. energy: 3.197
local terms energy: -416.057859
where:
bonds (distance) C4'-P energy: -92.015
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -109.774
flat angles P-C4'-P energy: -72.683
tors. eta vs tors. theta energy: -29.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -664.246887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.246887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.246887 (E_RNA)
where:
Base-Base interactions energy: -327.016
where: short stacking energy: -198.190
Base-Backbone interact. energy: -3.728
local terms energy: -333.502801
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -101.740
flat angles C4'-P-C4' energy: -83.135
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: 7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2206.258466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.258466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.258466 (E_RNA)
where:
Base-Base interactions energy: -1480.212
where: short stacking energy: -660.366
Base-Backbone interact. energy: -2.019
local terms energy: -724.027619
where:
bonds (distance) C4'-P energy: -134.080
bonds (distance) P-C4' energy: -139.430
flat angles C4'-P-C4' energy: -141.326
flat angles P-C4'-P energy: -92.855
tors. eta vs tors. theta energy: -216.337
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: 340
Temperature: 0.950000
Total energy: -2064.523459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.523459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.523459 (E_RNA)
where:
Base-Base interactions energy: -1433.034
where: short stacking energy: -603.933
Base-Backbone interact. energy: -5.508
local terms energy: -625.981218
where:
bonds (distance) C4'-P energy: -102.579
bonds (distance) P-C4' energy: -131.304
flat angles C4'-P-C4' energy: -136.106
flat angles P-C4'-P energy: -96.001
tors. eta vs tors. theta energy: -159.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1985.165205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.165205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.165205 (E_RNA)
where:
Base-Base interactions energy: -1353.945
where: short stacking energy: -586.167
Base-Backbone interact. energy: -3.713
local terms energy: -627.507362
where:
bonds (distance) C4'-P energy: -123.748
bonds (distance) P-C4' energy: -103.975
flat angles C4'-P-C4' energy: -145.535
flat angles P-C4'-P energy: -89.147
tors. eta vs tors. theta energy: -165.103
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: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1856.371740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.371740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.371740 (E_RNA)
where:
Base-Base interactions energy: -1265.396
where: short stacking energy: -525.596
Base-Backbone interact. energy: 0.039
local terms energy: -591.014574
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -99.648
flat angles C4'-P-C4' energy: -139.663
flat angles P-C4'-P energy: -102.585
tors. eta vs tors. theta energy: -150.484
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: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1791.822082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.822082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.822082 (E_RNA)
where:
Base-Base interactions energy: -1212.714
where: short stacking energy: -534.737
Base-Backbone interact. energy: -3.784
local terms energy: -575.324491
where:
bonds (distance) C4'-P energy: -117.823
bonds (distance) P-C4' energy: -121.284
flat angles C4'-P-C4' energy: -128.806
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -138.703
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: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1627.329367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.329367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.329367 (E_RNA)
where:
Base-Base interactions energy: -1086.207
where: short stacking energy: -481.414
Base-Backbone interact. energy: 1.213
local terms energy: -542.335417
where:
bonds (distance) C4'-P energy: -99.817
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -126.677
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -138.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1197.856588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.856588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.856588 (E_RNA)
where:
Base-Base interactions energy: -726.598
where: short stacking energy: -336.891
Base-Backbone interact. energy: -0.569
local terms energy: -470.690039
where:
bonds (distance) C4'-P energy: -97.736
bonds (distance) P-C4' energy: -106.424
flat angles C4'-P-C4' energy: -103.491
flat angles P-C4'-P energy: -90.277
tors. eta vs tors. theta energy: -72.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -936.233708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.233708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.233708 (E_RNA)
where:
Base-Base interactions energy: -562.604
where: short stacking energy: -293.798
Base-Backbone interact. energy: 0.528
local terms energy: -374.157112
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -107.667
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -69.528
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -860.016265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.016265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.016265 (E_RNA)
where:
Base-Base interactions energy: -477.155
where: short stacking energy: -244.535
Base-Backbone interact. energy: -2.022
local terms energy: -380.839544
where:
bonds (distance) C4'-P energy: -104.548
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -90.632
flat angles P-C4'-P energy: -58.269
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -659.062001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.062001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.062001 (E_RNA)
where:
Base-Base interactions energy: -341.876
where: short stacking energy: -216.105
Base-Backbone interact. energy: 0.570
local terms energy: -317.756184
where:
bonds (distance) C4'-P energy: -77.960
bonds (distance) P-C4' energy: -94.059
flat angles C4'-P-C4' energy: -92.038
flat angles P-C4'-P energy: -51.617
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2184.696662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.696662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.696662 (E_RNA)
where:
Base-Base interactions energy: -1468.522
where: short stacking energy: -673.149
Base-Backbone interact. energy: -2.847
local terms energy: -713.327837
where:
bonds (distance) C4'-P energy: -133.752
bonds (distance) P-C4' energy: -130.292
flat angles C4'-P-C4' energy: -149.723
flat angles P-C4'-P energy: -90.638
tors. eta vs tors. theta energy: -208.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2088.807212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.807212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.807212 (E_RNA)
where:
Base-Base interactions energy: -1467.628
where: short stacking energy: -586.508
Base-Backbone interact. energy: -2.170
local terms energy: -619.009448
where:
bonds (distance) C4'-P energy: -117.534
bonds (distance) P-C4' energy: -121.325
flat angles C4'-P-C4' energy: -128.166
flat angles P-C4'-P energy: -86.303
tors. eta vs tors. theta energy: -165.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1952.327558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.327558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.327558 (E_RNA)
where:
Base-Base interactions energy: -1362.419
where: short stacking energy: -560.325
Base-Backbone interact. energy: -1.873
local terms energy: -588.035681
where:
bonds (distance) C4'-P energy: -111.686
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -129.906
flat angles P-C4'-P energy: -78.493
tors. eta vs tors. theta energy: -148.061
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: 341
Temperature: 1.050000
Total energy: -1891.703543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.703543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.703543 (E_RNA)
where:
Base-Base interactions energy: -1313.744
where: short stacking energy: -523.700
Base-Backbone interact. energy: -3.415
local terms energy: -574.544356
where:
bonds (distance) C4'-P energy: -113.311
bonds (distance) P-C4' energy: -107.340
flat angles C4'-P-C4' energy: -125.761
flat angles P-C4'-P energy: -73.491
tors. eta vs tors. theta energy: -154.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1813.347088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.347088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.347088 (E_RNA)
where:
Base-Base interactions energy: -1221.317
where: short stacking energy: -560.769
Base-Backbone interact. energy: -3.774
local terms energy: -588.256297
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -116.295
flat angles C4'-P-C4' energy: -136.430
flat angles P-C4'-P energy: -87.823
tors. eta vs tors. theta energy: -156.882
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: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1650.702699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.702699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.702699 (E_RNA)
where:
Base-Base interactions energy: -1100.658
where: short stacking energy: -472.789
Base-Backbone interact. energy: -0.626
local terms energy: -549.418273
where:
bonds (distance) C4'-P energy: -107.814
bonds (distance) P-C4' energy: -100.215
flat angles C4'-P-C4' energy: -125.873
flat angles P-C4'-P energy: -87.180
tors. eta vs tors. theta energy: -128.337
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1172.537926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.537926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.537926 (E_RNA)
where:
Base-Base interactions energy: -712.624
where: short stacking energy: -343.162
Base-Backbone interact. energy: -2.174
local terms energy: -457.739772
where:
bonds (distance) C4'-P energy: -104.426
bonds (distance) P-C4' energy: -111.801
flat angles C4'-P-C4' energy: -107.225
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -64.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -964.788133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.788133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.788133 (E_RNA)
where:
Base-Base interactions energy: -556.297
where: short stacking energy: -287.982
Base-Backbone interact. energy: -1.589
local terms energy: -406.903009
where:
bonds (distance) C4'-P energy: -103.227
bonds (distance) P-C4' energy: -110.418
flat angles C4'-P-C4' energy: -100.148
flat angles P-C4'-P energy: -59.010
tors. eta vs tors. theta energy: -34.100
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -801.133545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.133545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.133545 (E_RNA)
where:
Base-Base interactions energy: -438.832
where: short stacking energy: -243.505
Base-Backbone interact. energy: 5.061
local terms energy: -367.362944
where:
bonds (distance) C4'-P energy: -102.483
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -102.116
flat angles P-C4'-P energy: -49.917
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -647.176595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.176595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.176595 (E_RNA)
where:
Base-Base interactions energy: -314.893
where: short stacking energy: -197.089
Base-Backbone interact. energy: 6.658
local terms energy: -338.942014
where:
bonds (distance) C4'-P energy: -95.720
bonds (distance) P-C4' energy: -94.451
flat angles C4'-P-C4' energy: -98.040
flat angles P-C4'-P energy: -61.339
tors. eta vs tors. theta energy: 10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2211.698819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.698819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.698819 (E_RNA)
where:
Base-Base interactions energy: -1481.202
where: short stacking energy: -675.142
Base-Backbone interact. energy: -1.807
local terms energy: -728.689106
where:
bonds (distance) C4'-P energy: -127.152
bonds (distance) P-C4' energy: -139.453
flat angles C4'-P-C4' energy: -148.253
flat angles P-C4'-P energy: -101.192
tors. eta vs tors. theta energy: -212.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2070.009169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.009169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.009169 (E_RNA)
where:
Base-Base interactions energy: -1445.433
where: short stacking energy: -595.369
Base-Backbone interact. energy: -7.618
local terms energy: -616.958032
where:
bonds (distance) C4'-P energy: -118.991
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -138.304
flat angles P-C4'-P energy: -89.024
tors. eta vs tors. theta energy: -151.488
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: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1965.899967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.899967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.899967 (E_RNA)
where:
Base-Base interactions energy: -1330.982
where: short stacking energy: -561.148
Base-Backbone interact. energy: 1.411
local terms energy: -636.329146
where:
bonds (distance) C4'-P energy: -115.471
bonds (distance) P-C4' energy: -121.548
flat angles C4'-P-C4' energy: -134.279
flat angles P-C4'-P energy: -96.365
tors. eta vs tors. theta energy: -168.666
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: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1880.364212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.364212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.364212 (E_RNA)
where:
Base-Base interactions energy: -1250.419
where: short stacking energy: -530.222
Base-Backbone interact. energy: -1.406
local terms energy: -628.538647
where:
bonds (distance) C4'-P energy: -124.063
bonds (distance) P-C4' energy: -120.204
flat angles C4'-P-C4' energy: -126.670
flat angles P-C4'-P energy: -96.887
tors. eta vs tors. theta energy: -160.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1835.304276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.304276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.304276 (E_RNA)
where:
Base-Base interactions energy: -1252.691
where: short stacking energy: -528.669
Base-Backbone interact. energy: -2.332
local terms energy: -580.281129
where:
bonds (distance) C4'-P energy: -105.939
bonds (distance) P-C4' energy: -120.210
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -70.208
tors. eta vs tors. theta energy: -151.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1716.149965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.149965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.149965 (E_RNA)
where:
Base-Base interactions energy: -1156.922
where: short stacking energy: -508.775
Base-Backbone interact. energy: 1.824
local terms energy: -561.051396
where:
bonds (distance) C4'-P energy: -117.267
bonds (distance) P-C4' energy: -112.481
flat angles C4'-P-C4' energy: -125.019
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -149.538
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1177.160851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.160851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.160851 (E_RNA)
where:
Base-Base interactions energy: -704.475
where: short stacking energy: -340.462
Base-Backbone interact. energy: -0.476
local terms energy: -472.210105
where:
bonds (distance) C4'-P energy: -114.962
bonds (distance) P-C4' energy: -110.850
flat angles C4'-P-C4' energy: -115.322
flat angles P-C4'-P energy: -64.575
tors. eta vs tors. theta energy: -66.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -930.783826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.783826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.783826 (E_RNA)
where:
Base-Base interactions energy: -539.287
where: short stacking energy: -288.744
Base-Backbone interact. energy: 4.324
local terms energy: -395.821403
where:
bonds (distance) C4'-P energy: -113.061
bonds (distance) P-C4' energy: -102.189
flat angles C4'-P-C4' energy: -85.891
flat angles P-C4'-P energy: -63.789
tors. eta vs tors. theta energy: -30.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -755.829129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.829129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.829129 (E_RNA)
where:
Base-Base interactions energy: -396.038
where: short stacking energy: -194.731
Base-Backbone interact. energy: 1.959
local terms energy: -361.749338
where:
bonds (distance) C4'-P energy: -109.801
bonds (distance) P-C4' energy: -105.838
flat angles C4'-P-C4' energy: -92.651
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -645.613455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.613455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.613455 (E_RNA)
where:
Base-Base interactions energy: -295.242
where: short stacking energy: -188.126
Base-Backbone interact. energy: -1.250
local terms energy: -349.122027
where:
bonds (distance) C4'-P energy: -106.382
bonds (distance) P-C4' energy: -100.742
flat angles C4'-P-C4' energy: -91.735
flat angles P-C4'-P energy: -62.258
tors. eta vs tors. theta energy: 11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2171.297597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.297597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.297597 (E_RNA)
where:
Base-Base interactions energy: -1467.726
where: short stacking energy: -690.935
Base-Backbone interact. energy: -1.003
local terms energy: -702.569253
where:
bonds (distance) C4'-P energy: -135.769
bonds (distance) P-C4' energy: -131.199
flat angles C4'-P-C4' energy: -141.279
flat angles P-C4'-P energy: -91.627
tors. eta vs tors. theta energy: -202.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2075.075377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.075377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.075377 (E_RNA)
where:
Base-Base interactions energy: -1469.002
where: short stacking energy: -564.288
Base-Backbone interact. energy: -4.877
local terms energy: -601.195943
where:
bonds (distance) C4'-P energy: -111.145
bonds (distance) P-C4' energy: -131.134
flat angles C4'-P-C4' energy: -117.402
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -147.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1956.647727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.647727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.647727 (E_RNA)
where:
Base-Base interactions energy: -1354.251
where: short stacking energy: -556.759
Base-Backbone interact. energy: -6.023
local terms energy: -596.374497
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -108.718
flat angles C4'-P-C4' energy: -136.176
flat angles P-C4'-P energy: -77.261
tors. eta vs tors. theta energy: -159.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1899.895566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.895566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.895566 (E_RNA)
where:
Base-Base interactions energy: -1288.576
where: short stacking energy: -553.235
Base-Backbone interact. energy: 0.924
local terms energy: -612.242922
where:
bonds (distance) C4'-P energy: -117.204
bonds (distance) P-C4' energy: -127.203
flat angles C4'-P-C4' energy: -126.752
flat angles P-C4'-P energy: -87.302
tors. eta vs tors. theta energy: -153.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1795.341806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.341806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.341806 (E_RNA)
where:
Base-Base interactions energy: -1213.334
where: short stacking energy: -514.784
Base-Backbone interact. energy: -1.398
local terms energy: -580.610755
where:
bonds (distance) C4'-P energy: -110.028
bonds (distance) P-C4' energy: -111.847
flat angles C4'-P-C4' energy: -131.074
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -151.686
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: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1764.388078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.388078 (E_RNA)
where:
Base-Base interactions energy: -1178.356
where: short stacking energy: -540.060
Base-Backbone interact. energy: -1.641
local terms energy: -584.391517
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -115.773
flat angles C4'-P-C4' energy: -130.815
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -156.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1195.680325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.680325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.680325 (E_RNA)
where:
Base-Base interactions energy: -745.549
where: short stacking energy: -363.425
Base-Backbone interact. energy: 1.802
local terms energy: -451.932978
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -124.461
flat angles C4'-P-C4' energy: -101.746
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: -56.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -951.853995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.853995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.853995 (E_RNA)
where:
Base-Base interactions energy: -538.116
where: short stacking energy: -296.618
Base-Backbone interact. energy: 1.673
local terms energy: -415.411276
where:
bonds (distance) C4'-P energy: -110.831
bonds (distance) P-C4' energy: -114.246
flat angles C4'-P-C4' energy: -87.372
flat angles P-C4'-P energy: -61.475
tors. eta vs tors. theta energy: -41.488
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -744.463613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.463613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.463613 (E_RNA)
where:
Base-Base interactions energy: -385.184
where: short stacking energy: -222.688
Base-Backbone interact. energy: 2.024
local terms energy: -361.303692
where:
bonds (distance) C4'-P energy: -99.252
bonds (distance) P-C4' energy: -105.532
flat angles C4'-P-C4' energy: -101.640
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -635.473134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.473134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.473134 (E_RNA)
where:
Base-Base interactions energy: -317.948
where: short stacking energy: -204.491
Base-Backbone interact. energy: -1.870
local terms energy: -315.655650
where:
bonds (distance) C4'-P energy: -93.378
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -93.539
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: 19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2159.803453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.803453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.803453 (E_RNA)
where:
Base-Base interactions energy: -1446.006
where: short stacking energy: -681.313
Base-Backbone interact. energy: -2.508
local terms energy: -711.290045
where:
bonds (distance) C4'-P energy: -129.426
bonds (distance) P-C4' energy: -114.573
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -100.075
tors. eta vs tors. theta energy: -212.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2083.723325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.723325 (E_RNA)
where:
Base-Base interactions energy: -1486.086
where: short stacking energy: -585.760
Base-Backbone interact. energy: -2.219
local terms energy: -595.418757
where:
bonds (distance) C4'-P energy: -123.296
bonds (distance) P-C4' energy: -107.909
flat angles C4'-P-C4' energy: -140.817
flat angles P-C4'-P energy: -78.248
tors. eta vs tors. theta energy: -145.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1961.858496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.858496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.858496 (E_RNA)
where:
Base-Base interactions energy: -1341.541
where: short stacking energy: -570.860
Base-Backbone interact. energy: -2.653
local terms energy: -617.664472
where:
bonds (distance) C4'-P energy: -127.351
bonds (distance) P-C4' energy: -112.005
flat angles C4'-P-C4' energy: -133.830
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -162.537
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: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1889.415704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.415704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.415704 (E_RNA)
where:
Base-Base interactions energy: -1285.097
where: short stacking energy: -548.715
Base-Backbone interact. energy: -5.877
local terms energy: -598.441863
where:
bonds (distance) C4'-P energy: -110.968
bonds (distance) P-C4' energy: -119.960
flat angles C4'-P-C4' energy: -121.383
flat angles P-C4'-P energy: -88.876
tors. eta vs tors. theta energy: -157.254
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: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1815.416012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.416012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.416012 (E_RNA)
where:
Base-Base interactions energy: -1233.681
where: short stacking energy: -532.224
Base-Backbone interact. energy: -1.914
local terms energy: -579.821027
where:
bonds (distance) C4'-P energy: -111.225
bonds (distance) P-C4' energy: -123.394
flat angles C4'-P-C4' energy: -118.192
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -161.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1740.105856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.105856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.105856 (E_RNA)
where:
Base-Base interactions energy: -1156.068
where: short stacking energy: -517.907
Base-Backbone interact. energy: -0.267
local terms energy: -583.771049
where:
bonds (distance) C4'-P energy: -112.227
bonds (distance) P-C4' energy: -125.452
flat angles C4'-P-C4' energy: -120.959
flat angles P-C4'-P energy: -63.884
tors. eta vs tors. theta energy: -161.249
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: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1244.514120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.514120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.514120 (E_RNA)
where:
Base-Base interactions energy: -757.754
where: short stacking energy: -374.802
Base-Backbone interact. energy: 1.466
local terms energy: -488.226249
where:
bonds (distance) C4'-P energy: -126.533
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -92.237
flat angles P-C4'-P energy: -80.945
tors. eta vs tors. theta energy: -84.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -904.874345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.874345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.874345 (E_RNA)
where:
Base-Base interactions energy: -525.906
where: short stacking energy: -281.449
Base-Backbone interact. energy: -1.757
local terms energy: -377.211026
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -97.491
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -790.583068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.583068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.583068 (E_RNA)
where:
Base-Base interactions energy: -417.167
where: short stacking energy: -213.762
Base-Backbone interact. energy: -1.407
local terms energy: -372.008647
where:
bonds (distance) C4'-P energy: -116.723
bonds (distance) P-C4' energy: -108.485
flat angles C4'-P-C4' energy: -99.362
flat angles P-C4'-P energy: -59.610
tors. eta vs tors. theta energy: 12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -612.022557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.022557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.022557 (E_RNA)
where:
Base-Base interactions energy: -308.450
where: short stacking energy: -200.142
Base-Backbone interact. energy: 0.849
local terms energy: -304.421769
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -90.510
flat angles C4'-P-C4' energy: -76.398
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: 18.016
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: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2179.451218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.451218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.451218 (E_RNA)
where:
Base-Base interactions energy: -1487.005
where: short stacking energy: -674.240
Base-Backbone interact. energy: -1.156
local terms energy: -691.289899
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -138.455
flat angles P-C4'-P energy: -101.338
tors. eta vs tors. theta energy: -199.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2088.374834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.374834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.374834 (E_RNA)
where:
Base-Base interactions energy: -1460.163
where: short stacking energy: -574.588
Base-Backbone interact. energy: -0.096
local terms energy: -628.116005
where:
bonds (distance) C4'-P energy: -119.578
bonds (distance) P-C4' energy: -116.805
flat angles C4'-P-C4' energy: -143.419
flat angles P-C4'-P energy: -97.566
tors. eta vs tors. theta energy: -150.748
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2016.685917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.685917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.685917 (E_RNA)
where:
Base-Base interactions energy: -1393.269
where: short stacking energy: -605.045
Base-Backbone interact. energy: -2.316
local terms energy: -621.101317
where:
bonds (distance) C4'-P energy: -120.480
bonds (distance) P-C4' energy: -132.374
flat angles C4'-P-C4' energy: -119.739
flat angles P-C4'-P energy: -81.419
tors. eta vs tors. theta energy: -167.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1850.319726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.319726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.319726 (E_RNA)
where:
Base-Base interactions energy: -1282.123
where: short stacking energy: -563.296
Base-Backbone interact. energy: 0.617
local terms energy: -568.814300
where:
bonds (distance) C4'-P energy: -99.956
bonds (distance) P-C4' energy: -107.793
flat angles C4'-P-C4' energy: -118.774
flat angles P-C4'-P energy: -84.281
tors. eta vs tors. theta energy: -158.010
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: 345
Temperature: 1.100000
Total energy: -1871.792471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.792471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.792471 (E_RNA)
where:
Base-Base interactions energy: -1276.800
where: short stacking energy: -558.986
Base-Backbone interact. energy: -3.705
local terms energy: -591.288233
where:
bonds (distance) C4'-P energy: -118.254
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -132.123
flat angles P-C4'-P energy: -79.486
tors. eta vs tors. theta energy: -154.002
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1708.101849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.101849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.101849 (E_RNA)
where:
Base-Base interactions energy: -1136.431
where: short stacking energy: -543.221
Base-Backbone interact. energy: 1.965
local terms energy: -573.636499
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -105.854
flat angles C4'-P-C4' energy: -129.641
flat angles P-C4'-P energy: -84.092
tors. eta vs tors. theta energy: -143.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1186.901861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.901861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.901861 (E_RNA)
where:
Base-Base interactions energy: -732.355
where: short stacking energy: -357.045
Base-Backbone interact. energy: -1.808
local terms energy: -452.738610
where:
bonds (distance) C4'-P energy: -107.551
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -70.140
tors. eta vs tors. theta energy: -67.279
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -979.626854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.626854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.626854 (E_RNA)
where:
Base-Base interactions energy: -557.015
where: short stacking energy: -278.054
Base-Backbone interact. energy: 3.657
local terms energy: -426.268648
where:
bonds (distance) C4'-P energy: -115.169
bonds (distance) P-C4' energy: -103.838
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -32.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -807.566215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.566215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.566215 (E_RNA)
where:
Base-Base interactions energy: -400.015
where: short stacking energy: -208.197
Base-Backbone interact. energy: -4.291
local terms energy: -403.259672
where:
bonds (distance) C4'-P energy: -113.679
bonds (distance) P-C4' energy: -126.490
flat angles C4'-P-C4' energy: -86.336
flat angles P-C4'-P energy: -73.452
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -613.177426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.177426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.177426 (E_RNA)
where:
Base-Base interactions energy: -288.483
where: short stacking energy: -193.993
Base-Backbone interact. energy: 1.160
local terms energy: -325.853663
where:
bonds (distance) C4'-P energy: -98.369
bonds (distance) P-C4' energy: -97.556
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2171.438940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.438940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.438940 (E_RNA)
where:
Base-Base interactions energy: -1475.075
where: short stacking energy: -640.978
Base-Backbone interact. energy: -3.451
local terms energy: -692.912820
where:
bonds (distance) C4'-P energy: -114.196
bonds (distance) P-C4' energy: -140.889
flat angles C4'-P-C4' energy: -144.875
flat angles P-C4'-P energy: -91.685
tors. eta vs tors. theta energy: -201.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2066.053440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.053440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.053440 (E_RNA)
where:
Base-Base interactions energy: -1424.187
where: short stacking energy: -581.590
Base-Backbone interact. energy: -2.404
local terms energy: -639.462765
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -125.734
flat angles C4'-P-C4' energy: -146.328
flat angles P-C4'-P energy: -94.208
tors. eta vs tors. theta energy: -153.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2013.216942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.216942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.216942 (E_RNA)
where:
Base-Base interactions energy: -1370.877
where: short stacking energy: -576.289
Base-Backbone interact. energy: -6.021
local terms energy: -636.318937
where:
bonds (distance) C4'-P energy: -125.556
bonds (distance) P-C4' energy: -112.939
flat angles C4'-P-C4' energy: -138.321
flat angles P-C4'-P energy: -85.212
tors. eta vs tors. theta energy: -174.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1873.097137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.097137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.097137 (E_RNA)
where:
Base-Base interactions energy: -1272.032
where: short stacking energy: -542.690
Base-Backbone interact. energy: -2.012
local terms energy: -599.052888
where:
bonds (distance) C4'-P energy: -117.052
bonds (distance) P-C4' energy: -117.514
flat angles C4'-P-C4' energy: -137.910
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -141.219
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: 346
Temperature: 1.100000
Total energy: -1834.787078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.787078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.787078 (E_RNA)
where:
Base-Base interactions energy: -1244.707
where: short stacking energy: -545.668
Base-Backbone interact. energy: -2.429
local terms energy: -587.651137
where:
bonds (distance) C4'-P energy: -116.739
bonds (distance) P-C4' energy: -113.361
flat angles C4'-P-C4' energy: -122.254
flat angles P-C4'-P energy: -87.226
tors. eta vs tors. theta energy: -148.072
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: 346
Temperature: 1.150000
Total energy: -1706.126972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.126972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.126972 (E_RNA)
where:
Base-Base interactions energy: -1113.509
where: short stacking energy: -513.685
Base-Backbone interact. energy: 0.634
local terms energy: -593.252438
where:
bonds (distance) C4'-P energy: -109.133
bonds (distance) P-C4' energy: -118.955
flat angles C4'-P-C4' energy: -121.442
flat angles P-C4'-P energy: -79.428
tors. eta vs tors. theta energy: -164.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1218.205745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.205745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.205745 (E_RNA)
where:
Base-Base interactions energy: -738.601
where: short stacking energy: -353.607
Base-Backbone interact. energy: 0.012
local terms energy: -479.617386
where:
bonds (distance) C4'-P energy: -107.208
bonds (distance) P-C4' energy: -101.734
flat angles C4'-P-C4' energy: -122.968
flat angles P-C4'-P energy: -74.642
tors. eta vs tors. theta energy: -73.065
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: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1077.167926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.167926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.167926 (E_RNA)
where:
Base-Base interactions energy: -647.918
where: short stacking energy: -344.283
Base-Backbone interact. energy: -1.575
local terms energy: -427.675741
where:
bonds (distance) C4'-P energy: -97.858
bonds (distance) P-C4' energy: -115.523
flat angles C4'-P-C4' energy: -110.185
flat angles P-C4'-P energy: -47.378
tors. eta vs tors. theta energy: -56.733
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: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -822.410990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.410990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.410990 (E_RNA)
where:
Base-Base interactions energy: -474.973
where: short stacking energy: -247.262
Base-Backbone interact. energy: -1.421
local terms energy: -346.016919
where:
bonds (distance) C4'-P energy: -86.920
bonds (distance) P-C4' energy: -112.938
flat angles C4'-P-C4' energy: -76.104
flat angles P-C4'-P energy: -59.550
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -615.567581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.567581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.567581 (E_RNA)
where:
Base-Base interactions energy: -293.237
where: short stacking energy: -177.563
Base-Backbone interact. energy: -6.239
local terms energy: -316.091956
where:
bonds (distance) C4'-P energy: -97.705
bonds (distance) P-C4' energy: -113.662
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: 22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2171.170117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.170117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.170117 (E_RNA)
where:
Base-Base interactions energy: -1466.807
where: short stacking energy: -623.224
Base-Backbone interact. energy: -1.129
local terms energy: -703.233688
where:
bonds (distance) C4'-P energy: -123.889
bonds (distance) P-C4' energy: -123.297
flat angles C4'-P-C4' energy: -149.365
flat angles P-C4'-P energy: -103.967
tors. eta vs tors. theta energy: -202.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2063.381814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.381814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.381814 (E_RNA)
where:
Base-Base interactions energy: -1434.041
where: short stacking energy: -596.350
Base-Backbone interact. energy: 0.226
local terms energy: -629.566630
where:
bonds (distance) C4'-P energy: -117.591
bonds (distance) P-C4' energy: -116.117
flat angles C4'-P-C4' energy: -136.362
flat angles P-C4'-P energy: -85.369
tors. eta vs tors. theta energy: -174.126
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: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1992.943238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.943238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.943238 (E_RNA)
where:
Base-Base interactions energy: -1363.084
where: short stacking energy: -548.189
Base-Backbone interact. energy: -2.238
local terms energy: -627.621536
where:
bonds (distance) C4'-P energy: -120.598
bonds (distance) P-C4' energy: -128.895
flat angles C4'-P-C4' energy: -138.090
flat angles P-C4'-P energy: -96.091
tors. eta vs tors. theta energy: -143.947
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1897.075424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.075424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.075424 (E_RNA)
where:
Base-Base interactions energy: -1304.799
where: short stacking energy: -546.866
Base-Backbone interact. energy: -1.767
local terms energy: -590.509248
where:
bonds (distance) C4'-P energy: -105.485
bonds (distance) P-C4' energy: -126.446
flat angles C4'-P-C4' energy: -131.153
flat angles P-C4'-P energy: -80.163
tors. eta vs tors. theta energy: -147.263
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: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1842.518865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.518865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.518865 (E_RNA)
where:
Base-Base interactions energy: -1268.030
where: short stacking energy: -549.700
Base-Backbone interact. energy: -3.873
local terms energy: -570.615179
where:
bonds (distance) C4'-P energy: -98.883
bonds (distance) P-C4' energy: -112.822
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -81.780
tors. eta vs tors. theta energy: -151.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1636.965312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.965312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.965312 (E_RNA)
where:
Base-Base interactions energy: -1079.175
where: short stacking energy: -486.518
Base-Backbone interact. energy: -1.202
local terms energy: -556.588701
where:
bonds (distance) C4'-P energy: -94.186
bonds (distance) P-C4' energy: -103.891
flat angles C4'-P-C4' energy: -140.311
flat angles P-C4'-P energy: -80.813
tors. eta vs tors. theta energy: -137.387
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: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1209.934279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.934279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.934279 (E_RNA)
where:
Base-Base interactions energy: -761.871
where: short stacking energy: -389.526
Base-Backbone interact. energy: 6.645
local terms energy: -454.708595
where:
bonds (distance) C4'-P energy: -93.724
bonds (distance) P-C4' energy: -129.467
flat angles C4'-P-C4' energy: -97.179
flat angles P-C4'-P energy: -52.930
tors. eta vs tors. theta energy: -81.409
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: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1020.080560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.080560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.080560 (E_RNA)
where:
Base-Base interactions energy: -581.576
where: short stacking energy: -300.722
Base-Backbone interact. energy: -1.670
local terms energy: -436.834343
where:
bonds (distance) C4'-P energy: -118.448
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -88.302
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -44.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -859.018124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.018124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.018124 (E_RNA)
where:
Base-Base interactions energy: -470.787
where: short stacking energy: -244.411
Base-Backbone interact. energy: 5.519
local terms energy: -393.750589
where:
bonds (distance) C4'-P energy: -119.417
bonds (distance) P-C4' energy: -99.497
flat angles C4'-P-C4' energy: -93.165
flat angles P-C4'-P energy: -56.516
tors. eta vs tors. theta energy: -25.156
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: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -594.559829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.559829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.559829 (E_RNA)
where:
Base-Base interactions energy: -266.977
where: short stacking energy: -166.204
Base-Backbone interact. energy: 0.721
local terms energy: -328.303688
where:
bonds (distance) C4'-P energy: -88.471
bonds (distance) P-C4' energy: -97.719
flat angles C4'-P-C4' energy: -91.835
flat angles P-C4'-P energy: -45.838
tors. eta vs tors. theta energy: -4.440
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2156.170176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.170176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.170176 (E_RNA)
where:
Base-Base interactions energy: -1474.581
where: short stacking energy: -651.457
Base-Backbone interact. energy: -0.552
local terms energy: -681.037705
where:
bonds (distance) C4'-P energy: -127.474
bonds (distance) P-C4' energy: -112.646
flat angles C4'-P-C4' energy: -141.071
flat angles P-C4'-P energy: -91.060
tors. eta vs tors. theta energy: -208.787
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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2100.092681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.092681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.092681 (E_RNA)
where:
Base-Base interactions energy: -1449.938
where: short stacking energy: -589.176
Base-Backbone interact. energy: -3.939
local terms energy: -646.215683
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -128.482
flat angles C4'-P-C4' energy: -134.515
flat angles P-C4'-P energy: -103.610
tors. eta vs tors. theta energy: -172.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1981.331867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.331867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.331867 (E_RNA)
where:
Base-Base interactions energy: -1392.228
where: short stacking energy: -554.736
Base-Backbone interact. energy: -0.285
local terms energy: -588.818578
where:
bonds (distance) C4'-P energy: -118.497
bonds (distance) P-C4' energy: -115.237
flat angles C4'-P-C4' energy: -135.923
flat angles P-C4'-P energy: -79.644
tors. eta vs tors. theta energy: -139.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1898.337272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.337272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.337272 (E_RNA)
where:
Base-Base interactions energy: -1331.017
where: short stacking energy: -582.976
Base-Backbone interact. energy: 1.473
local terms energy: -568.792641
where:
bonds (distance) C4'-P energy: -92.817
bonds (distance) P-C4' energy: -120.232
flat angles C4'-P-C4' energy: -112.023
flat angles P-C4'-P energy: -89.872
tors. eta vs tors. theta energy: -153.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1798.143396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.143396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.143396 (E_RNA)
where:
Base-Base interactions energy: -1248.498
where: short stacking energy: -535.948
Base-Backbone interact. energy: -1.724
local terms energy: -547.920945
where:
bonds (distance) C4'-P energy: -95.342
bonds (distance) P-C4' energy: -118.476
flat angles C4'-P-C4' energy: -121.906
flat angles P-C4'-P energy: -76.984
tors. eta vs tors. theta energy: -135.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1649.409002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.409002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.409002 (E_RNA)
where:
Base-Base interactions energy: -1099.630
where: short stacking energy: -506.443
Base-Backbone interact. energy: -4.637
local terms energy: -545.142142
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -96.596
flat angles C4'-P-C4' energy: -117.679
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -136.120
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: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1206.951045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.951045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.951045 (E_RNA)
where:
Base-Base interactions energy: -749.061
where: short stacking energy: -340.133
Base-Backbone interact. energy: -0.709
local terms energy: -457.180343
where:
bonds (distance) C4'-P energy: -91.050
bonds (distance) P-C4' energy: -112.534
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -82.163
tors. eta vs tors. theta energy: -63.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -962.624361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.624361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.624361 (E_RNA)
where:
Base-Base interactions energy: -577.870
where: short stacking energy: -289.507
Base-Backbone interact. energy: -0.147
local terms energy: -384.607740
where:
bonds (distance) C4'-P energy: -97.793
bonds (distance) P-C4' energy: -93.292
flat angles C4'-P-C4' energy: -109.057
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -38.482
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: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -814.276340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.276340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.276340 (E_RNA)
where:
Base-Base interactions energy: -485.772
where: short stacking energy: -242.049
Base-Backbone interact. energy: 2.271
local terms energy: -330.775384
where:
bonds (distance) C4'-P energy: -87.682
bonds (distance) P-C4' energy: -112.162
flat angles C4'-P-C4' energy: -65.503
flat angles P-C4'-P energy: -51.263
tors. eta vs tors. theta energy: -14.165
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: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -592.638510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.638510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.638510 (E_RNA)
where:
Base-Base interactions energy: -275.899
where: short stacking energy: -165.153
Base-Backbone interact. energy: -3.058
local terms energy: -313.681873
where:
bonds (distance) C4'-P energy: -103.444
bonds (distance) P-C4' energy: -109.064
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: 21.163
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: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2195.188038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.188038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.188038 (E_RNA)
where:
Base-Base interactions energy: -1497.251
where: short stacking energy: -661.303
Base-Backbone interact. energy: -2.378
local terms energy: -695.558824
where:
bonds (distance) C4'-P energy: -122.928
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -137.613
flat angles P-C4'-P energy: -90.330
tors. eta vs tors. theta energy: -214.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2088.533958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.533958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.533958 (E_RNA)
where:
Base-Base interactions energy: -1425.876
where: short stacking energy: -607.575
Base-Backbone interact. energy: -1.961
local terms energy: -660.697447
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -126.602
flat angles C4'-P-C4' energy: -133.987
flat angles P-C4'-P energy: -100.690
tors. eta vs tors. theta energy: -169.293
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: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2031.046091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.046091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.046091 (E_RNA)
where:
Base-Base interactions energy: -1412.562
where: short stacking energy: -589.214
Base-Backbone interact. energy: -3.158
local terms energy: -615.326596
where:
bonds (distance) C4'-P energy: -117.490
bonds (distance) P-C4' energy: -110.178
flat angles C4'-P-C4' energy: -131.941
flat angles P-C4'-P energy: -98.897
tors. eta vs tors. theta energy: -156.821
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: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1871.459198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.459198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.459198 (E_RNA)
where:
Base-Base interactions energy: -1283.505
where: short stacking energy: -535.144
Base-Backbone interact. energy: 9.603
local terms energy: -597.556766
where:
bonds (distance) C4'-P energy: -120.332
bonds (distance) P-C4' energy: -105.366
flat angles C4'-P-C4' energy: -133.226
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -153.806
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1906.217836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.217836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.217836 (E_RNA)
where:
Base-Base interactions energy: -1324.472
where: short stacking energy: -538.136
Base-Backbone interact. energy: -3.095
local terms energy: -578.649873
where:
bonds (distance) C4'-P energy: -106.622
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -135.249
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -145.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1637.135418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.135418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.135418 (E_RNA)
where:
Base-Base interactions energy: -1068.172
where: short stacking energy: -472.160
Base-Backbone interact. energy: -2.758
local terms energy: -566.205278
where:
bonds (distance) C4'-P energy: -106.268
bonds (distance) P-C4' energy: -107.588
flat angles C4'-P-C4' energy: -129.789
flat angles P-C4'-P energy: -89.937
tors. eta vs tors. theta energy: -132.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1196.752666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.752666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.752666 (E_RNA)
where:
Base-Base interactions energy: -757.728
where: short stacking energy: -349.907
Base-Backbone interact. energy: -0.409
local terms energy: -438.614934
where:
bonds (distance) C4'-P energy: -88.928
bonds (distance) P-C4' energy: -116.048
flat angles C4'-P-C4' energy: -94.158
flat angles P-C4'-P energy: -77.752
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: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1001.398140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.398140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.398140 (E_RNA)
where:
Base-Base interactions energy: -598.276
where: short stacking energy: -296.177
Base-Backbone interact. energy: 1.163
local terms energy: -404.285635
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -104.808
flat angles C4'-P-C4' energy: -90.529
flat angles P-C4'-P energy: -65.835
tors. eta vs tors. theta energy: -47.512
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: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -701.888129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.888129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.888129 (E_RNA)
where:
Base-Base interactions energy: -359.967
where: short stacking energy: -215.657
Base-Backbone interact. energy: 0.432
local terms energy: -342.353562
where:
bonds (distance) C4'-P energy: -109.276
bonds (distance) P-C4' energy: -100.572
flat angles C4'-P-C4' energy: -87.675
flat angles P-C4'-P energy: -45.629
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: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -643.298339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.298339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.298339 (E_RNA)
where:
Base-Base interactions energy: -302.724
where: short stacking energy: -202.829
Base-Backbone interact. energy: -0.881
local terms energy: -339.692858
where:
bonds (distance) C4'-P energy: -99.634
bonds (distance) P-C4' energy: -100.785
flat angles C4'-P-C4' energy: -109.482
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: 5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2182.434427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.434427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.434427 (E_RNA)
where:
Base-Base interactions energy: -1468.384
where: short stacking energy: -659.783
Base-Backbone interact. energy: -1.683
local terms energy: -712.367620
where:
bonds (distance) C4'-P energy: -125.475
bonds (distance) P-C4' energy: -128.053
flat angles C4'-P-C4' energy: -144.310
flat angles P-C4'-P energy: -106.724
tors. eta vs tors. theta energy: -207.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2091.946014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.946014 (E_RNA)
where:
Base-Base interactions energy: -1443.454
where: short stacking energy: -602.859
Base-Backbone interact. energy: -4.959
local terms energy: -643.532759
where:
bonds (distance) C4'-P energy: -114.387
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -133.222
flat angles P-C4'-P energy: -97.578
tors. eta vs tors. theta energy: -172.048
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: 350
Temperature: 1.000000
Total energy: -2001.697131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.697131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.697131 (E_RNA)
where:
Base-Base interactions energy: -1401.856
where: short stacking energy: -567.732
Base-Backbone interact. energy: -0.326
local terms energy: -599.515637
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -132.604
flat angles P-C4'-P energy: -79.542
tors. eta vs tors. theta energy: -142.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1923.327675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.327675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.327675 (E_RNA)
where:
Base-Base interactions energy: -1288.726
where: short stacking energy: -530.306
Base-Backbone interact. energy: -2.634
local terms energy: -631.967699
where:
bonds (distance) C4'-P energy: -128.481
bonds (distance) P-C4' energy: -134.235
flat angles C4'-P-C4' energy: -128.951
flat angles P-C4'-P energy: -82.349
tors. eta vs tors. theta energy: -157.952
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: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1886.419956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.419956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.419956 (E_RNA)
where:
Base-Base interactions energy: -1304.825
where: short stacking energy: -533.464
Base-Backbone interact. energy: -2.000
local terms energy: -579.595071
where:
bonds (distance) C4'-P energy: -111.514
bonds (distance) P-C4' energy: -121.998
flat angles C4'-P-C4' energy: -122.247
flat angles P-C4'-P energy: -66.803
tors. eta vs tors. theta energy: -157.034
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: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1548.827748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.827748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.827748 (E_RNA)
where:
Base-Base interactions energy: -986.143
where: short stacking energy: -450.675
Base-Backbone interact. energy: -2.109
local terms energy: -560.575750
where:
bonds (distance) C4'-P energy: -113.512
bonds (distance) P-C4' energy: -123.265
flat angles C4'-P-C4' energy: -110.170
flat angles P-C4'-P energy: -88.843
tors. eta vs tors. theta energy: -124.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1201.080981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.080981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.080981 (E_RNA)
where:
Base-Base interactions energy: -758.350
where: short stacking energy: -373.528
Base-Backbone interact. energy: -1.561
local terms energy: -441.170062
where:
bonds (distance) C4'-P energy: -93.351
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -117.789
flat angles P-C4'-P energy: -57.316
tors. eta vs tors. theta energy: -67.629
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: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1041.684707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.684707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.684707 (E_RNA)
where:
Base-Base interactions energy: -625.781
where: short stacking energy: -312.702
Base-Backbone interact. energy: 11.029
local terms energy: -426.932272
where:
bonds (distance) C4'-P energy: -90.313
bonds (distance) P-C4' energy: -94.656
flat angles C4'-P-C4' energy: -103.391
flat angles P-C4'-P energy: -76.761
tors. eta vs tors. theta energy: -61.811
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: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -686.579400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.579400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.579400 (E_RNA)
where:
Base-Base interactions energy: -326.991
where: short stacking energy: -199.391
Base-Backbone interact. energy: -2.253
local terms energy: -357.335324
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -108.323
flat angles C4'-P-C4' energy: -86.672
flat angles P-C4'-P energy: -63.864
tors. eta vs tors. theta energy: 7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -619.973715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.973715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.973715 (E_RNA)
where:
Base-Base interactions energy: -283.339
where: short stacking energy: -168.052
Base-Backbone interact. energy: -0.638
local terms energy: -335.996856
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -98.393
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: 22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2184.319360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.319360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.319360 (E_RNA)
where:
Base-Base interactions energy: -1495.350
where: short stacking energy: -656.216
Base-Backbone interact. energy: -1.237
local terms energy: -687.732608
where:
bonds (distance) C4'-P energy: -127.461
bonds (distance) P-C4' energy: -113.691
flat angles C4'-P-C4' energy: -147.060
flat angles P-C4'-P energy: -98.866
tors. eta vs tors. theta energy: -200.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2067.713426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.713426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.713426 (E_RNA)
where:
Base-Base interactions energy: -1439.005
where: short stacking energy: -590.919
Base-Backbone interact. energy: -2.997
local terms energy: -625.711663
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -119.172
flat angles C4'-P-C4' energy: -142.101
flat angles P-C4'-P energy: -66.386
tors. eta vs tors. theta energy: -176.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1983.357011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.357011 (E_RNA)
where:
Base-Base interactions energy: -1390.329
where: short stacking energy: -555.101
Base-Backbone interact. energy: -0.772
local terms energy: -592.256682
where:
bonds (distance) C4'-P energy: -106.079
bonds (distance) P-C4' energy: -111.637
flat angles C4'-P-C4' energy: -136.520
flat angles P-C4'-P energy: -91.655
tors. eta vs tors. theta energy: -146.365
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: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1921.836199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.836199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.836199 (E_RNA)
where:
Base-Base interactions energy: -1322.521
where: short stacking energy: -571.618
Base-Backbone interact. energy: -1.226
local terms energy: -598.089562
where:
bonds (distance) C4'-P energy: -108.796
bonds (distance) P-C4' energy: -111.300
flat angles C4'-P-C4' energy: -136.105
flat angles P-C4'-P energy: -86.147
tors. eta vs tors. theta energy: -155.741
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: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1884.937945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.937945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.937945 (E_RNA)
where:
Base-Base interactions energy: -1289.239
where: short stacking energy: -534.128
Base-Backbone interact. energy: -5.214
local terms energy: -590.485334
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -112.171
flat angles C4'-P-C4' energy: -134.841
flat angles P-C4'-P energy: -82.076
tors. eta vs tors. theta energy: -157.080
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1538.898458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.898458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.898458 (E_RNA)
where:
Base-Base interactions energy: -1010.980
where: short stacking energy: -469.365
Base-Backbone interact. energy: -0.069
local terms energy: -527.848943
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -107.999
flat angles C4'-P-C4' energy: -116.315
flat angles P-C4'-P energy: -64.927
tors. eta vs tors. theta energy: -121.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1180.580301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.580301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.580301 (E_RNA)
where:
Base-Base interactions energy: -711.340
where: short stacking energy: -339.931
Base-Backbone interact. energy: -1.420
local terms energy: -467.820414
where:
bonds (distance) C4'-P energy: -110.102
bonds (distance) P-C4' energy: -120.639
flat angles C4'-P-C4' energy: -111.857
flat angles P-C4'-P energy: -62.651
tors. eta vs tors. theta energy: -62.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -993.981615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.981615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.981615 (E_RNA)
where:
Base-Base interactions energy: -601.056
where: short stacking energy: -308.358
Base-Backbone interact. energy: -2.772
local terms energy: -390.153512
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -113.621
flat angles C4'-P-C4' energy: -99.005
flat angles P-C4'-P energy: -51.185
tors. eta vs tors. theta energy: -35.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -715.255703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.255703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.255703 (E_RNA)
where:
Base-Base interactions energy: -358.472
where: short stacking energy: -213.598
Base-Backbone interact. energy: -2.447
local terms energy: -354.336956
where:
bonds (distance) C4'-P energy: -92.691
bonds (distance) P-C4' energy: -96.024
flat angles C4'-P-C4' energy: -101.092
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -593.025580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.025580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.025580 (E_RNA)
where:
Base-Base interactions energy: -269.847
where: short stacking energy: -187.558
Base-Backbone interact. energy: 0.784
local terms energy: -323.962964
where:
bonds (distance) C4'-P energy: -101.089
bonds (distance) P-C4' energy: -106.366
flat angles C4'-P-C4' energy: -87.010
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: 11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2200.876125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.876125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.876125 (E_RNA)
where:
Base-Base interactions energy: -1474.613
where: short stacking energy: -645.591
Base-Backbone interact. energy: -2.367
local terms energy: -723.895811
where:
bonds (distance) C4'-P energy: -121.876
bonds (distance) P-C4' energy: -135.549
flat angles C4'-P-C4' energy: -144.795
flat angles P-C4'-P energy: -116.675
tors. eta vs tors. theta energy: -205.002
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: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2060.080445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.080445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.080445 (E_RNA)
where:
Base-Base interactions energy: -1420.846
where: short stacking energy: -577.138
Base-Backbone interact. energy: -4.370
local terms energy: -634.864816
where:
bonds (distance) C4'-P energy: -146.229
bonds (distance) P-C4' energy: -116.330
flat angles C4'-P-C4' energy: -127.558
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: -164.797
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: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2009.706889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.706889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.706889 (E_RNA)
where:
Base-Base interactions energy: -1427.035
where: short stacking energy: -605.720
Base-Backbone interact. energy: -4.000
local terms energy: -578.672205
where:
bonds (distance) C4'-P energy: -118.113
bonds (distance) P-C4' energy: -107.434
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -148.168
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: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1876.817986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.817986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.817986 (E_RNA)
where:
Base-Base interactions energy: -1289.626
where: short stacking energy: -568.506
Base-Backbone interact. energy: -1.332
local terms energy: -585.859342
where:
bonds (distance) C4'-P energy: -105.265
bonds (distance) P-C4' energy: -105.710
flat angles C4'-P-C4' energy: -138.786
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -154.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1914.959448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.959448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.959448 (E_RNA)
where:
Base-Base interactions energy: -1317.923
where: short stacking energy: -550.872
Base-Backbone interact. energy: -6.082
local terms energy: -590.954223
where:
bonds (distance) C4'-P energy: -104.898
bonds (distance) P-C4' energy: -118.919
flat angles C4'-P-C4' energy: -123.139
flat angles P-C4'-P energy: -79.340
tors. eta vs tors. theta energy: -164.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1632.857996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.857996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.857996 (E_RNA)
where:
Base-Base interactions energy: -1067.191
where: short stacking energy: -474.935
Base-Backbone interact. energy: -1.902
local terms energy: -563.765274
where:
bonds (distance) C4'-P energy: -111.204
bonds (distance) P-C4' energy: -112.550
flat angles C4'-P-C4' energy: -126.387
flat angles P-C4'-P energy: -71.908
tors. eta vs tors. theta energy: -141.716
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: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1203.984370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.984370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.984370 (E_RNA)
where:
Base-Base interactions energy: -731.823
where: short stacking energy: -368.230
Base-Backbone interact. energy: 0.047
local terms energy: -472.208746
where:
bonds (distance) C4'-P energy: -108.525
bonds (distance) P-C4' energy: -102.029
flat angles C4'-P-C4' energy: -110.377
flat angles P-C4'-P energy: -72.773
tors. eta vs tors. theta energy: -78.505
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: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1000.895660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.895660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.895660 (E_RNA)
where:
Base-Base interactions energy: -573.755
where: short stacking energy: -288.175
Base-Backbone interact. energy: -0.440
local terms energy: -426.700370
where:
bonds (distance) C4'-P energy: -96.506
bonds (distance) P-C4' energy: -104.340
flat angles C4'-P-C4' energy: -118.395
flat angles P-C4'-P energy: -64.937
tors. eta vs tors. theta energy: -42.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -734.012039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.012039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.012039 (E_RNA)
where:
Base-Base interactions energy: -375.225
where: short stacking energy: -234.214
Base-Backbone interact. energy: -0.291
local terms energy: -358.495956
where:
bonds (distance) C4'-P energy: -90.057
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -82.725
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -629.446389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.446389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.446389 (E_RNA)
where:
Base-Base interactions energy: -282.993
where: short stacking energy: -182.360
Base-Backbone interact. energy: 2.413
local terms energy: -348.866628
where:
bonds (distance) C4'-P energy: -105.887
bonds (distance) P-C4' energy: -94.779
flat angles C4'-P-C4' energy: -88.082
flat angles P-C4'-P energy: -49.150
tors. eta vs tors. theta energy: -10.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2221.477674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.477674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.477674 (E_RNA)
where:
Base-Base interactions energy: -1501.580
where: short stacking energy: -658.984
Base-Backbone interact. energy: -2.832
local terms energy: -717.065392
where:
bonds (distance) C4'-P energy: -128.823
bonds (distance) P-C4' energy: -142.845
flat angles C4'-P-C4' energy: -151.940
flat angles P-C4'-P energy: -84.183
tors. eta vs tors. theta energy: -209.274
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: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2067.099413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.099413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.099413 (E_RNA)
where:
Base-Base interactions energy: -1423.166
where: short stacking energy: -604.731
Base-Backbone interact. energy: 1.068
local terms energy: -645.001519
where:
bonds (distance) C4'-P energy: -135.715
bonds (distance) P-C4' energy: -120.931
flat angles C4'-P-C4' energy: -135.413
flat angles P-C4'-P energy: -80.220
tors. eta vs tors. theta energy: -172.723
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2006.954982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.954982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.954982 (E_RNA)
where:
Base-Base interactions energy: -1411.592
where: short stacking energy: -571.472
Base-Backbone interact. energy: -0.153
local terms energy: -595.209740
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -115.605
flat angles C4'-P-C4' energy: -125.162
flat angles P-C4'-P energy: -81.735
tors. eta vs tors. theta energy: -147.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1908.974687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.974687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.974687 (E_RNA)
where:
Base-Base interactions energy: -1317.003
where: short stacking energy: -556.487
Base-Backbone interact. energy: -3.201
local terms energy: -588.770310
where:
bonds (distance) C4'-P energy: -107.082
bonds (distance) P-C4' energy: -101.984
flat angles C4'-P-C4' energy: -135.874
flat angles P-C4'-P energy: -86.964
tors. eta vs tors. theta energy: -156.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1824.461189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.461189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.461189 (E_RNA)
where:
Base-Base interactions energy: -1259.575
where: short stacking energy: -527.243
Base-Backbone interact. energy: -2.830
local terms energy: -562.056299
where:
bonds (distance) C4'-P energy: -108.167
bonds (distance) P-C4' energy: -107.109
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -149.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1595.672091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.672091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.672091 (E_RNA)
where:
Base-Base interactions energy: -1052.584
where: short stacking energy: -504.971
Base-Backbone interact. energy: -3.623
local terms energy: -539.465140
where:
bonds (distance) C4'-P energy: -102.564
bonds (distance) P-C4' energy: -117.487
flat angles C4'-P-C4' energy: -104.999
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -136.487
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: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1226.977575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.977575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.977575 (E_RNA)
where:
Base-Base interactions energy: -773.931
where: short stacking energy: -352.795
Base-Backbone interact. energy: -0.498
local terms energy: -452.548727
where:
bonds (distance) C4'-P energy: -105.461
bonds (distance) P-C4' energy: -106.518
flat angles C4'-P-C4' energy: -110.363
flat angles P-C4'-P energy: -66.677
tors. eta vs tors. theta energy: -63.529
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: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1029.500330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.500330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.500330 (E_RNA)
where:
Base-Base interactions energy: -630.090
where: short stacking energy: -305.035
Base-Backbone interact. energy: 0.444
local terms energy: -399.853921
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -122.915
flat angles C4'-P-C4' energy: -87.071
flat angles P-C4'-P energy: -53.285
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: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -749.652705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.652705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.652705 (E_RNA)
where:
Base-Base interactions energy: -357.540
where: short stacking energy: -210.048
Base-Backbone interact. energy: -3.555
local terms energy: -388.557853
where:
bonds (distance) C4'-P energy: -102.879
bonds (distance) P-C4' energy: -125.463
flat angles C4'-P-C4' energy: -86.194
flat angles P-C4'-P energy: -61.549
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -576.350067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.350067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.350067 (E_RNA)
where:
Base-Base interactions energy: -249.617
where: short stacking energy: -162.039
Base-Backbone interact. energy: 1.936
local terms energy: -328.668837
where:
bonds (distance) C4'-P energy: -91.994
bonds (distance) P-C4' energy: -101.362
flat angles C4'-P-C4' energy: -101.533
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2207.085180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.085180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.085180 (E_RNA)
where:
Base-Base interactions energy: -1492.562
where: short stacking energy: -657.991
Base-Backbone interact. energy: -1.509
local terms energy: -713.014323
where:
bonds (distance) C4'-P energy: -122.644
bonds (distance) P-C4' energy: -136.218
flat angles C4'-P-C4' energy: -153.083
flat angles P-C4'-P energy: -100.131
tors. eta vs tors. theta energy: -200.938
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: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2102.964913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.964913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.964913 (E_RNA)
where:
Base-Base interactions energy: -1439.582
where: short stacking energy: -611.651
Base-Backbone interact. energy: -2.063
local terms energy: -661.319521
where:
bonds (distance) C4'-P energy: -118.431
bonds (distance) P-C4' energy: -138.596
flat angles C4'-P-C4' energy: -148.679
flat angles P-C4'-P energy: -78.797
tors. eta vs tors. theta energy: -176.816
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: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1998.297189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.297189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.297189 (E_RNA)
where:
Base-Base interactions energy: -1384.733
where: short stacking energy: -581.944
Base-Backbone interact. energy: 2.366
local terms energy: -615.930027
where:
bonds (distance) C4'-P energy: -122.140
bonds (distance) P-C4' energy: -127.219
flat angles C4'-P-C4' energy: -127.763
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -158.240
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: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1913.358481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.358481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.358481 (E_RNA)
where:
Base-Base interactions energy: -1315.461
where: short stacking energy: -554.779
Base-Backbone interact. energy: -4.066
local terms energy: -593.831653
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -116.832
flat angles C4'-P-C4' energy: -129.217
flat angles P-C4'-P energy: -71.851
tors. eta vs tors. theta energy: -161.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1877.522265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.522265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.522265 (E_RNA)
where:
Base-Base interactions energy: -1311.647
where: short stacking energy: -526.030
Base-Backbone interact. energy: -1.462
local terms energy: -564.413270
where:
bonds (distance) C4'-P energy: -107.578
bonds (distance) P-C4' energy: -86.473
flat angles C4'-P-C4' energy: -127.542
flat angles P-C4'-P energy: -91.728
tors. eta vs tors. theta energy: -151.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1569.389116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.389116 (E_RNA)
where:
Base-Base interactions energy: -1039.161
where: short stacking energy: -469.845
Base-Backbone interact. energy: -2.355
local terms energy: -527.873207
where:
bonds (distance) C4'-P energy: -102.870
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -116.515
flat angles P-C4'-P energy: -71.412
tors. eta vs tors. theta energy: -130.755
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: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1226.023014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.023014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.023014 (E_RNA)
where:
Base-Base interactions energy: -726.410
where: short stacking energy: -376.626
Base-Backbone interact. energy: -2.266
local terms energy: -497.346848
where:
bonds (distance) C4'-P energy: -97.203
bonds (distance) P-C4' energy: -116.316
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -75.526
tors. eta vs tors. theta energy: -90.967
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: 354
Temperature: 1.250000
Total energy: -1006.291751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.291751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.291751 (E_RNA)
where:
Base-Base interactions energy: -569.510
where: short stacking energy: -290.167
Base-Backbone interact. energy: -1.241
local terms energy: -435.540522
where:
bonds (distance) C4'-P energy: -97.795
bonds (distance) P-C4' energy: -102.909
flat angles C4'-P-C4' energy: -113.693
flat angles P-C4'-P energy: -68.347
tors. eta vs tors. theta energy: -52.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -760.898647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.898647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.898647 (E_RNA)
where:
Base-Base interactions energy: -407.519
where: short stacking energy: -201.464
Base-Backbone interact. energy: -3.580
local terms energy: -349.799494
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -80.695
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -4.710
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: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -608.260299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.260299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.260299 (E_RNA)
where:
Base-Base interactions energy: -256.760
where: short stacking energy: -190.794
Base-Backbone interact. energy: 4.504
local terms energy: -356.003574
where:
bonds (distance) C4'-P energy: -95.249
bonds (distance) P-C4' energy: -110.487
flat angles C4'-P-C4' energy: -85.220
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2187.920065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.920065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.920065 (E_RNA)
where:
Base-Base interactions energy: -1488.473
where: short stacking energy: -675.897
Base-Backbone interact. energy: -0.975
local terms energy: -698.471993
where:
bonds (distance) C4'-P energy: -134.829
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -152.111
flat angles P-C4'-P energy: -91.294
tors. eta vs tors. theta energy: -204.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2082.251562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.251562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.251562 (E_RNA)
where:
Base-Base interactions energy: -1442.086
where: short stacking energy: -603.077
Base-Backbone interact. energy: -2.038
local terms energy: -638.127179
where:
bonds (distance) C4'-P energy: -117.049
bonds (distance) P-C4' energy: -135.957
flat angles C4'-P-C4' energy: -126.157
flat angles P-C4'-P energy: -88.564
tors. eta vs tors. theta energy: -170.401
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: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1972.677434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.677434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.677434 (E_RNA)
where:
Base-Base interactions energy: -1383.542
where: short stacking energy: -563.214
Base-Backbone interact. energy: -2.248
local terms energy: -586.887632
where:
bonds (distance) C4'-P energy: -112.985
bonds (distance) P-C4' energy: -118.994
flat angles C4'-P-C4' energy: -131.150
flat angles P-C4'-P energy: -87.559
tors. eta vs tors. theta energy: -136.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1913.723281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.723281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.723281 (E_RNA)
where:
Base-Base interactions energy: -1335.932
where: short stacking energy: -560.370
Base-Backbone interact. energy: -1.407
local terms energy: -576.384456
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -112.901
flat angles C4'-P-C4' energy: -129.972
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -154.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1834.521653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.521653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.521653 (E_RNA)
where:
Base-Base interactions energy: -1244.343
where: short stacking energy: -519.936
Base-Backbone interact. energy: -0.891
local terms energy: -589.287428
where:
bonds (distance) C4'-P energy: -130.534
bonds (distance) P-C4' energy: -114.607
flat angles C4'-P-C4' energy: -125.924
flat angles P-C4'-P energy: -74.852
tors. eta vs tors. theta energy: -143.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1606.354978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.354978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.354978 (E_RNA)
where:
Base-Base interactions energy: -1057.514
where: short stacking energy: -486.167
Base-Backbone interact. energy: -4.092
local terms energy: -544.748024
where:
bonds (distance) C4'-P energy: -108.937
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -117.972
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -132.730
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1213.587566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.587566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.587566 (E_RNA)
where:
Base-Base interactions energy: -743.683
where: short stacking energy: -371.509
Base-Backbone interact. energy: 0.762
local terms energy: -470.667000
where:
bonds (distance) C4'-P energy: -98.941
bonds (distance) P-C4' energy: -110.109
flat angles C4'-P-C4' energy: -111.165
flat angles P-C4'-P energy: -60.593
tors. eta vs tors. theta energy: -89.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -966.033983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.033983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.033983 (E_RNA)
where:
Base-Base interactions energy: -549.477
where: short stacking energy: -305.642
Base-Backbone interact. energy: 0.806
local terms energy: -417.362589
where:
bonds (distance) C4'-P energy: -110.675
bonds (distance) P-C4' energy: -105.579
flat angles C4'-P-C4' energy: -112.337
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -37.952
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: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -769.797022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.797022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.797022 (E_RNA)
where:
Base-Base interactions energy: -392.922
where: short stacking energy: -221.733
Base-Backbone interact. energy: 1.124
local terms energy: -377.998954
where:
bonds (distance) C4'-P energy: -93.907
bonds (distance) P-C4' energy: -97.948
flat angles C4'-P-C4' energy: -95.479
flat angles P-C4'-P energy: -77.824
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -626.894213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.894213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.894213 (E_RNA)
where:
Base-Base interactions energy: -293.231
where: short stacking energy: -175.062
Base-Backbone interact. energy: -0.660
local terms energy: -333.002873
where:
bonds (distance) C4'-P energy: -98.987
bonds (distance) P-C4' energy: -116.557
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -44.417
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2197.761483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.761483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.761483 (E_RNA)
where:
Base-Base interactions energy: -1511.456
where: short stacking energy: -683.831
Base-Backbone interact. energy: 2.216
local terms energy: -688.521575
where:
bonds (distance) C4'-P energy: -123.921
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -142.700
flat angles P-C4'-P energy: -102.191
tors. eta vs tors. theta energy: -209.050
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: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2112.202908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.202908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.202908 (E_RNA)
where:
Base-Base interactions energy: -1459.632
where: short stacking energy: -590.373
Base-Backbone interact. energy: -2.524
local terms energy: -650.047157
where:
bonds (distance) C4'-P energy: -129.258
bonds (distance) P-C4' energy: -135.208
flat angles C4'-P-C4' energy: -134.560
flat angles P-C4'-P energy: -86.574
tors. eta vs tors. theta energy: -164.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1964.885756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.885756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.885756 (E_RNA)
where:
Base-Base interactions energy: -1378.122
where: short stacking energy: -581.777
Base-Backbone interact. energy: -1.499
local terms energy: -585.264312
where:
bonds (distance) C4'-P energy: -105.408
bonds (distance) P-C4' energy: -118.737
flat angles C4'-P-C4' energy: -120.396
flat angles P-C4'-P energy: -89.208
tors. eta vs tors. theta energy: -151.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1888.276812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.276812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.276812 (E_RNA)
where:
Base-Base interactions energy: -1276.481
where: short stacking energy: -535.570
Base-Backbone interact. energy: -3.010
local terms energy: -608.785985
where:
bonds (distance) C4'-P energy: -111.708
bonds (distance) P-C4' energy: -120.721
flat angles C4'-P-C4' energy: -139.683
flat angles P-C4'-P energy: -77.438
tors. eta vs tors. theta energy: -159.236
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: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1865.554061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.554061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.554061 (E_RNA)
where:
Base-Base interactions energy: -1283.421
where: short stacking energy: -547.407
Base-Backbone interact. energy: -0.908
local terms energy: -581.224746
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -110.338
flat angles C4'-P-C4' energy: -140.982
flat angles P-C4'-P energy: -77.242
tors. eta vs tors. theta energy: -155.822
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: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1617.396358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.396358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.396358 (E_RNA)
where:
Base-Base interactions energy: -1087.260
where: short stacking energy: -501.598
Base-Backbone interact. energy: -1.495
local terms energy: -528.641498
where:
bonds (distance) C4'-P energy: -110.153
bonds (distance) P-C4' energy: -111.816
flat angles C4'-P-C4' energy: -112.302
flat angles P-C4'-P energy: -66.882
tors. eta vs tors. theta energy: -127.489
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: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1186.060226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.060226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.060226 (E_RNA)
where:
Base-Base interactions energy: -728.901
where: short stacking energy: -346.965
Base-Backbone interact. energy: -0.073
local terms energy: -457.086337
where:
bonds (distance) C4'-P energy: -93.352
bonds (distance) P-C4' energy: -112.698
flat angles C4'-P-C4' energy: -112.872
flat angles P-C4'-P energy: -68.496
tors. eta vs tors. theta energy: -69.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -955.524703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.524703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.524703 (E_RNA)
where:
Base-Base interactions energy: -543.362
where: short stacking energy: -267.766
Base-Backbone interact. energy: 0.310
local terms energy: -412.472603
where:
bonds (distance) C4'-P energy: -110.547
bonds (distance) P-C4' energy: -104.222
flat angles C4'-P-C4' energy: -101.240
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -27.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -718.129701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.129701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.129701 (E_RNA)
where:
Base-Base interactions energy: -393.556
where: short stacking energy: -235.496
Base-Backbone interact. energy: 2.998
local terms energy: -327.571913
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -110.638
flat angles C4'-P-C4' energy: -92.005
flat angles P-C4'-P energy: -34.285
tors. eta vs tors. theta energy: 4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -614.460956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.460956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.460956 (E_RNA)
where:
Base-Base interactions energy: -294.670
where: short stacking energy: -188.123
Base-Backbone interact. energy: 0.194
local terms energy: -319.984969
where:
bonds (distance) C4'-P energy: -106.408
bonds (distance) P-C4' energy: -97.751
flat angles C4'-P-C4' energy: -90.586
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: 19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2173.028167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.028167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.028167 (E_RNA)
where:
Base-Base interactions energy: -1470.967
where: short stacking energy: -670.398
Base-Backbone interact. energy: -4.120
local terms energy: -697.940802
where:
bonds (distance) C4'-P energy: -112.928
bonds (distance) P-C4' energy: -126.165
flat angles C4'-P-C4' energy: -146.616
flat angles P-C4'-P energy: -104.330
tors. eta vs tors. theta energy: -207.902
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: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2088.564727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.564727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.564727 (E_RNA)
where:
Base-Base interactions energy: -1457.587
where: short stacking energy: -615.143
Base-Backbone interact. energy: -6.368
local terms energy: -624.609531
where:
bonds (distance) C4'-P energy: -111.553
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -130.425
flat angles P-C4'-P energy: -85.176
tors. eta vs tors. theta energy: -175.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1992.355746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.355746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.355746 (E_RNA)
where:
Base-Base interactions energy: -1374.712
where: short stacking energy: -562.555
Base-Backbone interact. energy: -0.119
local terms energy: -617.524954
where:
bonds (distance) C4'-P energy: -110.114
bonds (distance) P-C4' energy: -120.445
flat angles C4'-P-C4' energy: -145.542
flat angles P-C4'-P energy: -87.883
tors. eta vs tors. theta energy: -153.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1920.407700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.407700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.407700 (E_RNA)
where:
Base-Base interactions energy: -1345.079
where: short stacking energy: -540.696
Base-Backbone interact. energy: -1.030
local terms energy: -574.298907
where:
bonds (distance) C4'-P energy: -98.882
bonds (distance) P-C4' energy: -117.075
flat angles C4'-P-C4' energy: -135.482
flat angles P-C4'-P energy: -69.628
tors. eta vs tors. theta energy: -153.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1849.755107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.755107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.755107 (E_RNA)
where:
Base-Base interactions energy: -1267.692
where: short stacking energy: -539.551
Base-Backbone interact. energy: -2.378
local terms energy: -579.685013
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -105.756
flat angles C4'-P-C4' energy: -121.066
flat angles P-C4'-P energy: -86.287
tors. eta vs tors. theta energy: -151.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1625.001097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.001097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.001097 (E_RNA)
where:
Base-Base interactions energy: -1088.620
where: short stacking energy: -480.686
Base-Backbone interact. energy: -0.148
local terms energy: -536.233020
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -112.596
flat angles C4'-P-C4' energy: -121.099
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -133.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1201.387033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.387033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.387033 (E_RNA)
where:
Base-Base interactions energy: -733.423
where: short stacking energy: -368.128
Base-Backbone interact. energy: 3.674
local terms energy: -471.638000
where:
bonds (distance) C4'-P energy: -115.820
bonds (distance) P-C4' energy: -129.579
flat angles C4'-P-C4' energy: -108.285
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: -64.125
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: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -982.861520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.861520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.861520 (E_RNA)
where:
Base-Base interactions energy: -571.101
where: short stacking energy: -275.479
Base-Backbone interact. energy: 6.991
local terms energy: -418.751334
where:
bonds (distance) C4'-P energy: -103.398
bonds (distance) P-C4' energy: -106.162
flat angles C4'-P-C4' energy: -117.339
flat angles P-C4'-P energy: -66.103
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -751.762905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.762905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.762905 (E_RNA)
where:
Base-Base interactions energy: -406.621
where: short stacking energy: -243.720
Base-Backbone interact. energy: 1.143
local terms energy: -346.284819
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -107.257
flat angles C4'-P-C4' energy: -92.684
flat angles P-C4'-P energy: -53.244
tors. eta vs tors. theta energy: -13.156
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: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -589.308115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.308115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.308115 (E_RNA)
where:
Base-Base interactions energy: -277.703
where: short stacking energy: -194.751
Base-Backbone interact. energy: -1.872
local terms energy: -309.732939
where:
bonds (distance) C4'-P energy: -108.257
bonds (distance) P-C4' energy: -91.941
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: 12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2151.817253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.817253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.817253 (E_RNA)
where:
Base-Base interactions energy: -1468.026
where: short stacking energy: -672.370
Base-Backbone interact. energy: 0.658
local terms energy: -684.449950
where:
bonds (distance) C4'-P energy: -127.199
bonds (distance) P-C4' energy: -114.350
flat angles C4'-P-C4' energy: -138.533
flat angles P-C4'-P energy: -96.910
tors. eta vs tors. theta energy: -207.458
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: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2086.704102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.704102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.704102 (E_RNA)
where:
Base-Base interactions energy: -1429.553
where: short stacking energy: -589.427
Base-Backbone interact. energy: -5.244
local terms energy: -651.907464
where:
bonds (distance) C4'-P energy: -116.705
bonds (distance) P-C4' energy: -138.713
flat angles C4'-P-C4' energy: -143.423
flat angles P-C4'-P energy: -89.828
tors. eta vs tors. theta energy: -163.238
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: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2000.963929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.963929 (E_RNA)
where:
Base-Base interactions energy: -1376.865
where: short stacking energy: -559.646
Base-Backbone interact. energy: -3.877
local terms energy: -620.221695
where:
bonds (distance) C4'-P energy: -120.570
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -140.135
flat angles P-C4'-P energy: -82.997
tors. eta vs tors. theta energy: -152.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1930.516032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.516032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.516032 (E_RNA)
where:
Base-Base interactions energy: -1315.919
where: short stacking energy: -559.317
Base-Backbone interact. energy: -0.174
local terms energy: -614.423575
where:
bonds (distance) C4'-P energy: -112.295
bonds (distance) P-C4' energy: -120.606
flat angles C4'-P-C4' energy: -130.322
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -168.965
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1828.674980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.674980 (E_RNA)
where:
Base-Base interactions energy: -1244.303
where: short stacking energy: -521.893
Base-Backbone interact. energy: -3.372
local terms energy: -580.999357
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -119.007
flat angles C4'-P-C4' energy: -123.107
flat angles P-C4'-P energy: -77.120
tors. eta vs tors. theta energy: -148.802
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: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1646.198963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.198963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.198963 (E_RNA)
where:
Base-Base interactions energy: -1096.098
where: short stacking energy: -456.511
Base-Backbone interact. energy: -0.555
local terms energy: -549.545822
where:
bonds (distance) C4'-P energy: -99.641
bonds (distance) P-C4' energy: -102.593
flat angles C4'-P-C4' energy: -116.462
flat angles P-C4'-P energy: -93.494
tors. eta vs tors. theta energy: -137.356
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: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1182.516281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.516281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.516281 (E_RNA)
where:
Base-Base interactions energy: -731.494
where: short stacking energy: -358.596
Base-Backbone interact. energy: -0.980
local terms energy: -450.042555
where:
bonds (distance) C4'-P energy: -111.057
bonds (distance) P-C4' energy: -107.251
flat angles C4'-P-C4' energy: -98.643
flat angles P-C4'-P energy: -67.178
tors. eta vs tors. theta energy: -65.914
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -985.835758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.835758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.835758 (E_RNA)
where:
Base-Base interactions energy: -583.293
where: short stacking energy: -281.864
Base-Backbone interact. energy: -2.303
local terms energy: -400.239403
where:
bonds (distance) C4'-P energy: -85.780
bonds (distance) P-C4' energy: -118.739
flat angles C4'-P-C4' energy: -103.320
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -35.135
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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -818.675015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.675015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.675015 (E_RNA)
where:
Base-Base interactions energy: -454.965
where: short stacking energy: -239.587
Base-Backbone interact. energy: -1.687
local terms energy: -362.022613
where:
bonds (distance) C4'-P energy: -86.408
bonds (distance) P-C4' energy: -106.274
flat angles C4'-P-C4' energy: -96.116
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -651.564408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.564408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.564408 (E_RNA)
where:
Base-Base interactions energy: -276.220
where: short stacking energy: -180.981
Base-Backbone interact. energy: 3.745
local terms energy: -379.089107
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -105.701
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2157.633118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.633118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.633118 (E_RNA)
where:
Base-Base interactions energy: -1459.319
where: short stacking energy: -635.574
Base-Backbone interact. energy: -1.183
local terms energy: -697.131588
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -131.726
flat angles C4'-P-C4' energy: -141.732
flat angles P-C4'-P energy: -102.692
tors. eta vs tors. theta energy: -196.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2060.512201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.512201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.512201 (E_RNA)
where:
Base-Base interactions energy: -1420.482
where: short stacking energy: -593.118
Base-Backbone interact. energy: 1.146
local terms energy: -641.175747
where:
bonds (distance) C4'-P energy: -129.394
bonds (distance) P-C4' energy: -126.894
flat angles C4'-P-C4' energy: -134.014
flat angles P-C4'-P energy: -104.225
tors. eta vs tors. theta energy: -146.648
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2025.933931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.933931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.933931 (E_RNA)
where:
Base-Base interactions energy: -1418.458
where: short stacking energy: -577.399
Base-Backbone interact. energy: -1.470
local terms energy: -606.006090
where:
bonds (distance) C4'-P energy: -107.862
bonds (distance) P-C4' energy: -121.133
flat angles C4'-P-C4' energy: -138.613
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -162.350
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: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1905.458482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.458482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.458482 (E_RNA)
where:
Base-Base interactions energy: -1307.375
where: short stacking energy: -548.414
Base-Backbone interact. energy: 0.604
local terms energy: -598.687830
where:
bonds (distance) C4'-P energy: -121.465
bonds (distance) P-C4' energy: -125.952
flat angles C4'-P-C4' energy: -129.610
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -160.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1842.275653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.275653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.275653 (E_RNA)
where:
Base-Base interactions energy: -1267.424
where: short stacking energy: -514.945
Base-Backbone interact. energy: 0.158
local terms energy: -575.009828
where:
bonds (distance) C4'-P energy: -116.944
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -126.978
flat angles P-C4'-P energy: -72.639
tors. eta vs tors. theta energy: -143.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1639.705809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.705809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.705809 (E_RNA)
where:
Base-Base interactions energy: -1085.353
where: short stacking energy: -451.518
Base-Backbone interact. energy: -5.414
local terms energy: -548.938679
where:
bonds (distance) C4'-P energy: -128.219
bonds (distance) P-C4' energy: -103.527
flat angles C4'-P-C4' energy: -126.226
flat angles P-C4'-P energy: -61.704
tors. eta vs tors. theta energy: -129.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1185.703058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.703058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.703058 (E_RNA)
where:
Base-Base interactions energy: -714.369
where: short stacking energy: -342.716
Base-Backbone interact. energy: -3.784
local terms energy: -467.549590
where:
bonds (distance) C4'-P energy: -106.338
bonds (distance) P-C4' energy: -126.550
flat angles C4'-P-C4' energy: -108.378
flat angles P-C4'-P energy: -76.268
tors. eta vs tors. theta energy: -50.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -965.972915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.972915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.972915 (E_RNA)
where:
Base-Base interactions energy: -566.418
where: short stacking energy: -266.262
Base-Backbone interact. energy: -2.201
local terms energy: -397.353596
where:
bonds (distance) C4'-P energy: -82.940
bonds (distance) P-C4' energy: -112.555
flat angles C4'-P-C4' energy: -97.182
flat angles P-C4'-P energy: -68.523
tors. eta vs tors. theta energy: -36.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -783.106652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.106652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.106652 (E_RNA)
where:
Base-Base interactions energy: -411.833
where: short stacking energy: -236.345
Base-Backbone interact. energy: -0.923
local terms energy: -370.351295
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -115.282
flat angles C4'-P-C4' energy: -105.535
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -610.558338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.558338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.558338 (E_RNA)
where:
Base-Base interactions energy: -287.498
where: short stacking energy: -175.318
Base-Backbone interact. energy: -0.888
local terms energy: -322.172154
where:
bonds (distance) C4'-P energy: -97.246
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -92.139
flat angles P-C4'-P energy: -52.494
tors. eta vs tors. theta energy: 15.482
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2163.117790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.117790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.117790 (E_RNA)
where:
Base-Base interactions energy: -1490.786
where: short stacking energy: -668.608
Base-Backbone interact. energy: 0.693
local terms energy: -673.024715
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -126.133
flat angles C4'-P-C4' energy: -148.187
flat angles P-C4'-P energy: -85.294
tors. eta vs tors. theta energy: -200.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2073.640086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.640086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.640086 (E_RNA)
where:
Base-Base interactions energy: -1448.006
where: short stacking energy: -607.027
Base-Backbone interact. energy: 0.707
local terms energy: -626.341953
where:
bonds (distance) C4'-P energy: -113.171
bonds (distance) P-C4' energy: -120.729
flat angles C4'-P-C4' energy: -130.915
flat angles P-C4'-P energy: -95.188
tors. eta vs tors. theta energy: -166.339
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: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2035.577962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.577962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.577962 (E_RNA)
where:
Base-Base interactions energy: -1400.572
where: short stacking energy: -581.173
Base-Backbone interact. energy: -2.840
local terms energy: -632.165871
where:
bonds (distance) C4'-P energy: -127.463
bonds (distance) P-C4' energy: -118.659
flat angles C4'-P-C4' energy: -132.647
flat angles P-C4'-P energy: -92.136
tors. eta vs tors. theta energy: -161.261
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1868.559398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.559398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.559398 (E_RNA)
where:
Base-Base interactions energy: -1266.839
where: short stacking energy: -534.087
Base-Backbone interact. energy: 6.767
local terms energy: -608.487688
where:
bonds (distance) C4'-P energy: -127.135
bonds (distance) P-C4' energy: -115.408
flat angles C4'-P-C4' energy: -138.094
flat angles P-C4'-P energy: -69.384
tors. eta vs tors. theta energy: -158.467
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: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1874.082783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.082783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.082783 (E_RNA)
where:
Base-Base interactions energy: -1287.693
where: short stacking energy: -555.367
Base-Backbone interact. energy: 4.720
local terms energy: -591.108884
where:
bonds (distance) C4'-P energy: -103.107
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -130.637
flat angles P-C4'-P energy: -71.234
tors. eta vs tors. theta energy: -160.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1625.558601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.558601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.558601 (E_RNA)
where:
Base-Base interactions energy: -1076.033
where: short stacking energy: -447.896
Base-Backbone interact. energy: 4.406
local terms energy: -553.931392
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -121.243
flat angles P-C4'-P energy: -91.224
tors. eta vs tors. theta energy: -123.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1179.497574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.497574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.497574 (E_RNA)
where:
Base-Base interactions energy: -729.934
where: short stacking energy: -349.949
Base-Backbone interact. energy: -1.385
local terms energy: -448.178971
where:
bonds (distance) C4'-P energy: -108.249
bonds (distance) P-C4' energy: -103.847
flat angles C4'-P-C4' energy: -102.267
flat angles P-C4'-P energy: -67.831
tors. eta vs tors. theta energy: -65.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -967.519734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.519734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.519734 (E_RNA)
where:
Base-Base interactions energy: -558.977
where: short stacking energy: -283.659
Base-Backbone interact. energy: -1.421
local terms energy: -407.122051
where:
bonds (distance) C4'-P energy: -105.241
bonds (distance) P-C4' energy: -101.137
flat angles C4'-P-C4' energy: -99.142
flat angles P-C4'-P energy: -61.149
tors. eta vs tors. theta energy: -40.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -778.906181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.906181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.906181 (E_RNA)
where:
Base-Base interactions energy: -414.840
where: short stacking energy: -225.366
Base-Backbone interact. energy: -1.484
local terms energy: -362.581807
where:
bonds (distance) C4'-P energy: -100.622
bonds (distance) P-C4' energy: -101.719
flat angles C4'-P-C4' energy: -92.999
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -605.155011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.155011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.155011 (E_RNA)
where:
Base-Base interactions energy: -269.816
where: short stacking energy: -188.873
Base-Backbone interact. energy: 9.281
local terms energy: -344.620147
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -86.006
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2166.905053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.905053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.905053 (E_RNA)
where:
Base-Base interactions energy: -1464.797
where: short stacking energy: -648.604
Base-Backbone interact. energy: -1.991
local terms energy: -700.117332
where:
bonds (distance) C4'-P energy: -121.955
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -143.472
flat angles P-C4'-P energy: -107.008
tors. eta vs tors. theta energy: -205.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2060.551952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.551952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.551952 (E_RNA)
where:
Base-Base interactions energy: -1446.012
where: short stacking energy: -564.820
Base-Backbone interact. energy: -6.565
local terms energy: -607.974281
where:
bonds (distance) C4'-P energy: -122.126
bonds (distance) P-C4' energy: -118.860
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -82.128
tors. eta vs tors. theta energy: -160.166
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2003.427239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.427239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.427239 (E_RNA)
where:
Base-Base interactions energy: -1394.502
where: short stacking energy: -584.334
Base-Backbone interact. energy: -2.481
local terms energy: -606.444577
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -129.583
flat angles P-C4'-P energy: -84.126
tors. eta vs tors. theta energy: -151.567
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1918.325546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.325546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.325546 (E_RNA)
where:
Base-Base interactions energy: -1306.630
where: short stacking energy: -549.550
Base-Backbone interact. energy: -4.082
local terms energy: -607.613059
where:
bonds (distance) C4'-P energy: -101.663
bonds (distance) P-C4' energy: -121.371
flat angles C4'-P-C4' energy: -127.365
flat angles P-C4'-P energy: -94.775
tors. eta vs tors. theta energy: -162.438
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: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1835.025619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.025619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.025619 (E_RNA)
where:
Base-Base interactions energy: -1266.497
where: short stacking energy: -514.189
Base-Backbone interact. energy: -2.588
local terms energy: -565.940359
where:
bonds (distance) C4'-P energy: -96.847
bonds (distance) P-C4' energy: -113.078
flat angles C4'-P-C4' energy: -125.408
flat angles P-C4'-P energy: -78.986
tors. eta vs tors. theta energy: -151.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1629.254996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.254996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.254996 (E_RNA)
where:
Base-Base interactions energy: -1103.092
where: short stacking energy: -479.305
Base-Backbone interact. energy: -1.326
local terms energy: -524.836692
where:
bonds (distance) C4'-P energy: -97.339
bonds (distance) P-C4' energy: -112.284
flat angles C4'-P-C4' energy: -114.073
flat angles P-C4'-P energy: -68.226
tors. eta vs tors. theta energy: -132.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1154.336775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.336775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.336775 (E_RNA)
where:
Base-Base interactions energy: -702.272
where: short stacking energy: -348.659
Base-Backbone interact. energy: 4.233
local terms energy: -456.297398
where:
bonds (distance) C4'-P energy: -107.932
bonds (distance) P-C4' energy: -111.189
flat angles C4'-P-C4' energy: -97.600
flat angles P-C4'-P energy: -65.595
tors. eta vs tors. theta energy: -73.982
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: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1011.152240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.152240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.152240 (E_RNA)
where:
Base-Base interactions energy: -579.005
where: short stacking energy: -297.089
Base-Backbone interact. energy: -2.642
local terms energy: -429.504981
where:
bonds (distance) C4'-P energy: -114.675
bonds (distance) P-C4' energy: -116.051
flat angles C4'-P-C4' energy: -106.307
flat angles P-C4'-P energy: -51.618
tors. eta vs tors. theta energy: -40.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -716.371961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.371961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.371961 (E_RNA)
where:
Base-Base interactions energy: -363.876
where: short stacking energy: -209.136
Base-Backbone interact. energy: 0.390
local terms energy: -352.885734
where:
bonds (distance) C4'-P energy: -78.763
bonds (distance) P-C4' energy: -105.257
flat angles C4'-P-C4' energy: -97.965
flat angles P-C4'-P energy: -60.406
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -655.317374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.317374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.317374 (E_RNA)
where:
Base-Base interactions energy: -329.167
where: short stacking energy: -202.823
Base-Backbone interact. energy: -3.393
local terms energy: -322.757392
where:
bonds (distance) C4'-P energy: -79.915
bonds (distance) P-C4' energy: -113.031
flat angles C4'-P-C4' energy: -86.452
flat angles P-C4'-P energy: -45.829
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2203.354881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.354881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.354881 (E_RNA)
where:
Base-Base interactions energy: -1497.220
where: short stacking energy: -673.697
Base-Backbone interact. energy: -2.619
local terms energy: -703.516019
where:
bonds (distance) C4'-P energy: -130.894
bonds (distance) P-C4' energy: -118.419
flat angles C4'-P-C4' energy: -159.383
flat angles P-C4'-P energy: -89.115
tors. eta vs tors. theta energy: -205.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2063.259765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.259765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.259765 (E_RNA)
where:
Base-Base interactions energy: -1437.339
where: short stacking energy: -601.535
Base-Backbone interact. energy: -4.926
local terms energy: -620.994941
where:
bonds (distance) C4'-P energy: -95.930
bonds (distance) P-C4' energy: -119.463
flat angles C4'-P-C4' energy: -141.463
flat angles P-C4'-P energy: -89.726
tors. eta vs tors. theta energy: -174.413
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: 362
Temperature: 1.000000
Total energy: -2028.153317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.153317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.153317 (E_RNA)
where:
Base-Base interactions energy: -1429.547
where: short stacking energy: -605.673
Base-Backbone interact. energy: -3.021
local terms energy: -595.585060
where:
bonds (distance) C4'-P energy: -106.007
bonds (distance) P-C4' energy: -110.256
flat angles C4'-P-C4' energy: -137.985
flat angles P-C4'-P energy: -87.900
tors. eta vs tors. theta energy: -153.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1940.165722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.165722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.165722 (E_RNA)
where:
Base-Base interactions energy: -1320.009
where: short stacking energy: -580.393
Base-Backbone interact. energy: 1.253
local terms energy: -621.409762
where:
bonds (distance) C4'-P energy: -107.033
bonds (distance) P-C4' energy: -117.583
flat angles C4'-P-C4' energy: -137.386
flat angles P-C4'-P energy: -88.172
tors. eta vs tors. theta energy: -171.236
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: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1820.598989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.598989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.598989 (E_RNA)
where:
Base-Base interactions energy: -1234.118
where: short stacking energy: -525.019
Base-Backbone interact. energy: -3.088
local terms energy: -583.393027
where:
bonds (distance) C4'-P energy: -106.942
bonds (distance) P-C4' energy: -118.614
flat angles C4'-P-C4' energy: -132.241
flat angles P-C4'-P energy: -73.818
tors. eta vs tors. theta energy: -151.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1675.496551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.496551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.496551 (E_RNA)
where:
Base-Base interactions energy: -1112.077
where: short stacking energy: -499.777
Base-Backbone interact. energy: 1.425
local terms energy: -564.844476
where:
bonds (distance) C4'-P energy: -108.679
bonds (distance) P-C4' energy: -120.222
flat angles C4'-P-C4' energy: -125.062
flat angles P-C4'-P energy: -76.906
tors. eta vs tors. theta energy: -133.976
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: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1200.497419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.497419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.497419 (E_RNA)
where:
Base-Base interactions energy: -751.185
where: short stacking energy: -362.204
Base-Backbone interact. energy: -1.099
local terms energy: -448.213850
where:
bonds (distance) C4'-P energy: -106.662
bonds (distance) P-C4' energy: -109.076
flat angles C4'-P-C4' energy: -96.026
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -65.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -998.823256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.823256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.823256 (E_RNA)
where:
Base-Base interactions energy: -589.133
where: short stacking energy: -293.559
Base-Backbone interact. energy: 0.558
local terms energy: -410.248108
where:
bonds (distance) C4'-P energy: -117.143
bonds (distance) P-C4' energy: -108.761
flat angles C4'-P-C4' energy: -101.687
flat angles P-C4'-P energy: -38.065
tors. eta vs tors. theta energy: -44.591
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: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -759.825442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.825442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.825442 (E_RNA)
where:
Base-Base interactions energy: -375.147
where: short stacking energy: -223.229
Base-Backbone interact. energy: 0.574
local terms energy: -385.252532
where:
bonds (distance) C4'-P energy: -102.110
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -10.343
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: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -655.960013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.960013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.960013 (E_RNA)
where:
Base-Base interactions energy: -331.134
where: short stacking energy: -184.245
Base-Backbone interact. energy: 5.941
local terms energy: -330.767034
where:
bonds (distance) C4'-P energy: -101.644
bonds (distance) P-C4' energy: -104.257
flat angles C4'-P-C4' energy: -80.066
flat angles P-C4'-P energy: -52.170
tors. eta vs tors. theta energy: 7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2175.153169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.153169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.153169 (E_RNA)
where:
Base-Base interactions energy: -1459.245
where: short stacking energy: -679.845
Base-Backbone interact. energy: -1.894
local terms energy: -714.014375
where:
bonds (distance) C4'-P energy: -135.484
bonds (distance) P-C4' energy: -125.304
flat angles C4'-P-C4' energy: -149.039
flat angles P-C4'-P energy: -101.751
tors. eta vs tors. theta energy: -202.436
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: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2039.850322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.850322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.850322 (E_RNA)
where:
Base-Base interactions energy: -1404.792
where: short stacking energy: -589.446
Base-Backbone interact. energy: -2.027
local terms energy: -633.030560
where:
bonds (distance) C4'-P energy: -126.790
bonds (distance) P-C4' energy: -110.008
flat angles C4'-P-C4' energy: -127.411
flat angles P-C4'-P energy: -99.039
tors. eta vs tors. theta energy: -169.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2036.340104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.340104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.340104 (E_RNA)
where:
Base-Base interactions energy: -1394.824
where: short stacking energy: -591.821
Base-Backbone interact. energy: -1.105
local terms energy: -640.411038
where:
bonds (distance) C4'-P energy: -128.187
bonds (distance) P-C4' energy: -112.485
flat angles C4'-P-C4' energy: -146.570
flat angles P-C4'-P energy: -93.799
tors. eta vs tors. theta energy: -159.371
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1925.103131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.103131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.103131 (E_RNA)
where:
Base-Base interactions energy: -1288.974
where: short stacking energy: -533.739
Base-Backbone interact. energy: -1.941
local terms energy: -634.188440
where:
bonds (distance) C4'-P energy: -117.812
bonds (distance) P-C4' energy: -121.453
flat angles C4'-P-C4' energy: -132.092
flat angles P-C4'-P energy: -92.740
tors. eta vs tors. theta energy: -170.092
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1847.319513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.319513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.319513 (E_RNA)
where:
Base-Base interactions energy: -1243.177
where: short stacking energy: -510.272
Base-Backbone interact. energy: -0.663
local terms energy: -603.479931
where:
bonds (distance) C4'-P energy: -112.890
bonds (distance) P-C4' energy: -110.571
flat angles C4'-P-C4' energy: -148.255
flat angles P-C4'-P energy: -83.585
tors. eta vs tors. theta energy: -148.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1666.911976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.911976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.911976 (E_RNA)
where:
Base-Base interactions energy: -1128.334
where: short stacking energy: -496.296
Base-Backbone interact. energy: -2.191
local terms energy: -536.386552
where:
bonds (distance) C4'-P energy: -111.254
bonds (distance) P-C4' energy: -118.024
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -45.380
tors. eta vs tors. theta energy: -136.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1245.127531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.127531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.127531 (E_RNA)
where:
Base-Base interactions energy: -787.312
where: short stacking energy: -397.983
Base-Backbone interact. energy: -2.584
local terms energy: -455.232135
where:
bonds (distance) C4'-P energy: -95.324
bonds (distance) P-C4' energy: -114.501
flat angles C4'-P-C4' energy: -113.505
flat angles P-C4'-P energy: -50.646
tors. eta vs tors. theta energy: -81.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1050.440211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.440211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.440211 (E_RNA)
where:
Base-Base interactions energy: -608.570
where: short stacking energy: -307.627
Base-Backbone interact. energy: 1.393
local terms energy: -443.263448
where:
bonds (distance) C4'-P energy: -93.573
bonds (distance) P-C4' energy: -119.099
flat angles C4'-P-C4' energy: -117.786
flat angles P-C4'-P energy: -69.990
tors. eta vs tors. theta energy: -42.815
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -727.391119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.391119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.391119 (E_RNA)
where:
Base-Base interactions energy: -363.372
where: short stacking energy: -192.084
Base-Backbone interact. energy: -1.963
local terms energy: -362.055825
where:
bonds (distance) C4'-P energy: -102.341
bonds (distance) P-C4' energy: -100.040
flat angles C4'-P-C4' energy: -115.899
flat angles P-C4'-P energy: -48.383
tors. eta vs tors. theta energy: 4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -606.756386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.756386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.756386 (E_RNA)
where:
Base-Base interactions energy: -269.884
where: short stacking energy: -159.555
Base-Backbone interact. energy: -1.353
local terms energy: -335.519281
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -106.809
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: 11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2158.225348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.225348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.225348 (E_RNA)
where:
Base-Base interactions energy: -1460.548
where: short stacking energy: -666.439
Base-Backbone interact. energy: -0.817
local terms energy: -696.860383
where:
bonds (distance) C4'-P energy: -121.758
bonds (distance) P-C4' energy: -130.233
flat angles C4'-P-C4' energy: -145.840
flat angles P-C4'-P energy: -98.080
tors. eta vs tors. theta energy: -200.949
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: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2062.510031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.510031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.510031 (E_RNA)
where:
Base-Base interactions energy: -1424.813
where: short stacking energy: -599.752
Base-Backbone interact. energy: -5.247
local terms energy: -632.449791
where:
bonds (distance) C4'-P energy: -121.882
bonds (distance) P-C4' energy: -124.443
flat angles C4'-P-C4' energy: -133.045
flat angles P-C4'-P energy: -90.328
tors. eta vs tors. theta energy: -162.751
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: 364
Temperature: 1.000000
Total energy: -1949.677577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.677577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.677577 (E_RNA)
where:
Base-Base interactions energy: -1313.485
where: short stacking energy: -575.823
Base-Backbone interact. energy: -3.118
local terms energy: -633.074630
where:
bonds (distance) C4'-P energy: -120.241
bonds (distance) P-C4' energy: -123.670
flat angles C4'-P-C4' energy: -130.541
flat angles P-C4'-P energy: -85.436
tors. eta vs tors. theta energy: -173.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1964.252994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.252994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.252994 (E_RNA)
where:
Base-Base interactions energy: -1385.237
where: short stacking energy: -559.820
Base-Backbone interact. energy: 3.683
local terms energy: -582.698762
where:
bonds (distance) C4'-P energy: -118.094
bonds (distance) P-C4' energy: -104.601
flat angles C4'-P-C4' energy: -129.634
flat angles P-C4'-P energy: -88.023
tors. eta vs tors. theta energy: -142.347
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: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1808.701041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.701041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.701041 (E_RNA)
where:
Base-Base interactions energy: -1239.868
where: short stacking energy: -524.312
Base-Backbone interact. energy: 1.391
local terms energy: -570.224148
where:
bonds (distance) C4'-P energy: -95.127
bonds (distance) P-C4' energy: -111.308
flat angles C4'-P-C4' energy: -123.233
flat angles P-C4'-P energy: -92.698
tors. eta vs tors. theta energy: -147.858
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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1655.391018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.391018 (E_RNA)
where:
Base-Base interactions energy: -1108.864
where: short stacking energy: -486.848
Base-Backbone interact. energy: -3.550
local terms energy: -542.977299
where:
bonds (distance) C4'-P energy: -94.126
bonds (distance) P-C4' energy: -110.165
flat angles C4'-P-C4' energy: -137.561
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -130.522
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: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1162.934095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.934095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.934095 (E_RNA)
where:
Base-Base interactions energy: -693.831
where: short stacking energy: -323.015
Base-Backbone interact. energy: -1.838
local terms energy: -467.265314
where:
bonds (distance) C4'-P energy: -105.636
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -105.757
flat angles P-C4'-P energy: -76.146
tors. eta vs tors. theta energy: -52.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -990.586649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.586649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.586649 (E_RNA)
where:
Base-Base interactions energy: -569.703
where: short stacking energy: -304.352
Base-Backbone interact. energy: -1.468
local terms energy: -419.415366
where:
bonds (distance) C4'-P energy: -107.573
bonds (distance) P-C4' energy: -102.780
flat angles C4'-P-C4' energy: -103.279
flat angles P-C4'-P energy: -58.976
tors. eta vs tors. theta energy: -46.808
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: 364
Temperature: 1.300000
Total energy: -743.113579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.113579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.113579 (E_RNA)
where:
Base-Base interactions energy: -379.655
where: short stacking energy: -214.181
Base-Backbone interact. energy: 0.053
local terms energy: -363.511844
where:
bonds (distance) C4'-P energy: -110.132
bonds (distance) P-C4' energy: -92.789
flat angles C4'-P-C4' energy: -104.655
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -614.775426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.775426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.775426 (E_RNA)
where:
Base-Base interactions energy: -284.899
where: short stacking energy: -185.404
Base-Backbone interact. energy: -2.850
local terms energy: -327.026472
where:
bonds (distance) C4'-P energy: -93.720
bonds (distance) P-C4' energy: -94.323
flat angles C4'-P-C4' energy: -97.264
flat angles P-C4'-P energy: -43.356
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2167.098140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.098140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.098140 (E_RNA)
where:
Base-Base interactions energy: -1471.307
where: short stacking energy: -676.237
Base-Backbone interact. energy: -1.204
local terms energy: -694.587501
where:
bonds (distance) C4'-P energy: -122.880
bonds (distance) P-C4' energy: -131.087
flat angles C4'-P-C4' energy: -149.250
flat angles P-C4'-P energy: -90.070
tors. eta vs tors. theta energy: -201.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2084.647282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.647282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.647282 (E_RNA)
where:
Base-Base interactions energy: -1451.153
where: short stacking energy: -608.539
Base-Backbone interact. energy: -5.589
local terms energy: -627.905781
where:
bonds (distance) C4'-P energy: -121.570
bonds (distance) P-C4' energy: -117.513
flat angles C4'-P-C4' energy: -139.515
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -166.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1968.115771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.115771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.115771 (E_RNA)
where:
Base-Base interactions energy: -1357.555
where: short stacking energy: -553.618
Base-Backbone interact. energy: -0.149
local terms energy: -610.411878
where:
bonds (distance) C4'-P energy: -109.801
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -121.630
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -181.124
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: 365
Temperature: 1.050000
Total energy: -2001.744365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.744365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.744365 (E_RNA)
where:
Base-Base interactions energy: -1404.367
where: short stacking energy: -583.567
Base-Backbone interact. energy: -1.263
local terms energy: -596.114323
where:
bonds (distance) C4'-P energy: -104.361
bonds (distance) P-C4' energy: -126.069
flat angles C4'-P-C4' energy: -126.840
flat angles P-C4'-P energy: -92.206
tors. eta vs tors. theta energy: -146.639
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: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1851.965621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.965621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.965621 (E_RNA)
where:
Base-Base interactions energy: -1260.638
where: short stacking energy: -514.220
Base-Backbone interact. energy: -3.271
local terms energy: -588.057215
where:
bonds (distance) C4'-P energy: -123.029
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -125.097
flat angles P-C4'-P energy: -90.455
tors. eta vs tors. theta energy: -146.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1619.912088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.912088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.912088 (E_RNA)
where:
Base-Base interactions energy: -1064.821
where: short stacking energy: -457.293
Base-Backbone interact. energy: -0.824
local terms energy: -554.267352
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -127.114
flat angles P-C4'-P energy: -86.932
tors. eta vs tors. theta energy: -121.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1205.595142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.595142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.595142 (E_RNA)
where:
Base-Base interactions energy: -752.001
where: short stacking energy: -344.916
Base-Backbone interact. energy: 1.147
local terms energy: -454.740682
where:
bonds (distance) C4'-P energy: -95.990
bonds (distance) P-C4' energy: -110.164
flat angles C4'-P-C4' energy: -104.372
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -69.175
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: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1038.296589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.296589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.296589 (E_RNA)
where:
Base-Base interactions energy: -641.429
where: short stacking energy: -307.095
Base-Backbone interact. energy: 0.030
local terms energy: -396.897107
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -97.811
flat angles C4'-P-C4' energy: -99.068
flat angles P-C4'-P energy: -64.639
tors. eta vs tors. theta energy: -42.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -739.561037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.561037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.561037 (E_RNA)
where:
Base-Base interactions energy: -377.230
where: short stacking energy: -218.840
Base-Backbone interact. energy: -2.941
local terms energy: -359.389588
where:
bonds (distance) C4'-P energy: -99.865
bonds (distance) P-C4' energy: -111.768
flat angles C4'-P-C4' energy: -89.401
flat angles P-C4'-P energy: -47.306
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -598.559916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.559916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.559916 (E_RNA)
where:
Base-Base interactions energy: -251.594
where: short stacking energy: -156.223
Base-Backbone interact. energy: -4.871
local terms energy: -342.094536
where:
bonds (distance) C4'-P energy: -114.056
bonds (distance) P-C4' energy: -98.390
flat angles C4'-P-C4' energy: -74.209
flat angles P-C4'-P energy: -54.512
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2163.278334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.278334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.278334 (E_RNA)
where:
Base-Base interactions energy: -1453.823
where: short stacking energy: -642.862
Base-Backbone interact. energy: -1.803
local terms energy: -707.652116
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -139.019
flat angles C4'-P-C4' energy: -144.373
flat angles P-C4'-P energy: -102.715
tors. eta vs tors. theta energy: -205.921
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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2060.035902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.035902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.035902 (E_RNA)
where:
Base-Base interactions energy: -1446.001
where: short stacking energy: -605.734
Base-Backbone interact. energy: -1.233
local terms energy: -612.801869
where:
bonds (distance) C4'-P energy: -110.491
bonds (distance) P-C4' energy: -115.288
flat angles C4'-P-C4' energy: -133.252
flat angles P-C4'-P energy: -85.414
tors. eta vs tors. theta energy: -168.357
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: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2026.585892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.585892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.585892 (E_RNA)
where:
Base-Base interactions energy: -1426.793
where: short stacking energy: -588.271
Base-Backbone interact. energy: -0.727
local terms energy: -599.066440
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -109.951
flat angles C4'-P-C4' energy: -129.183
flat angles P-C4'-P energy: -91.607
tors. eta vs tors. theta energy: -156.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1985.857363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.857363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.857363 (E_RNA)
where:
Base-Base interactions energy: -1376.472
where: short stacking energy: -584.317
Base-Backbone interact. energy: -3.731
local terms energy: -605.654652
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -109.889
flat angles C4'-P-C4' energy: -124.921
flat angles P-C4'-P energy: -79.932
tors. eta vs tors. theta energy: -173.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1832.526507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.526507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.526507 (E_RNA)
where:
Base-Base interactions energy: -1262.183
where: short stacking energy: -551.294
Base-Backbone interact. energy: -4.895
local terms energy: -565.448286
where:
bonds (distance) C4'-P energy: -110.044
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -123.467
flat angles P-C4'-P energy: -56.258
tors. eta vs tors. theta energy: -154.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1621.315543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.315543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.315543 (E_RNA)
where:
Base-Base interactions energy: -1096.588
where: short stacking energy: -466.249
Base-Backbone interact. energy: -0.890
local terms energy: -523.837744
where:
bonds (distance) C4'-P energy: -116.197
bonds (distance) P-C4' energy: -101.777
flat angles C4'-P-C4' energy: -131.751
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -112.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1208.583876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.583876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.583876 (E_RNA)
where:
Base-Base interactions energy: -735.357
where: short stacking energy: -351.035
Base-Backbone interact. energy: -2.149
local terms energy: -471.077771
where:
bonds (distance) C4'-P energy: -111.510
bonds (distance) P-C4' energy: -109.806
flat angles C4'-P-C4' energy: -105.378
flat angles P-C4'-P energy: -72.096
tors. eta vs tors. theta energy: -72.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1048.510918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.510918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.510918 (E_RNA)
where:
Base-Base interactions energy: -644.320
where: short stacking energy: -307.449
Base-Backbone interact. energy: -1.807
local terms energy: -402.383812
where:
bonds (distance) C4'-P energy: -99.802
bonds (distance) P-C4' energy: -101.084
flat angles C4'-P-C4' energy: -97.573
flat angles P-C4'-P energy: -70.556
tors. eta vs tors. theta energy: -33.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -745.840040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.840040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.840040 (E_RNA)
where:
Base-Base interactions energy: -362.454
where: short stacking energy: -200.960
Base-Backbone interact. energy: -3.362
local terms energy: -380.023738
where:
bonds (distance) C4'-P energy: -120.531
bonds (distance) P-C4' energy: -105.131
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -60.537
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -671.153065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.153065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.153065 (E_RNA)
where:
Base-Base interactions energy: -324.222
where: short stacking energy: -164.639
Base-Backbone interact. energy: -0.265
local terms energy: -346.665331
where:
bonds (distance) C4'-P energy: -81.917
bonds (distance) P-C4' energy: -103.813
flat angles C4'-P-C4' energy: -94.560
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: 11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2169.777393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.777393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.777393 (E_RNA)
where:
Base-Base interactions energy: -1462.742
where: short stacking energy: -653.023
Base-Backbone interact. energy: -1.791
local terms energy: -705.244787
where:
bonds (distance) C4'-P energy: -125.122
bonds (distance) P-C4' energy: -122.645
flat angles C4'-P-C4' energy: -147.676
flat angles P-C4'-P energy: -96.125
tors. eta vs tors. theta energy: -213.677
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2073.921100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.921100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.921100 (E_RNA)
where:
Base-Base interactions energy: -1435.557
where: short stacking energy: -587.241
Base-Backbone interact. energy: -1.568
local terms energy: -636.795813
where:
bonds (distance) C4'-P energy: -121.915
bonds (distance) P-C4' energy: -131.203
flat angles C4'-P-C4' energy: -127.991
flat angles P-C4'-P energy: -89.047
tors. eta vs tors. theta energy: -166.640
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2003.450528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.450528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.450528 (E_RNA)
where:
Base-Base interactions energy: -1352.846
where: short stacking energy: -556.398
Base-Backbone interact. energy: -2.919
local terms energy: -647.685432
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -136.298
flat angles C4'-P-C4' energy: -147.762
flat angles P-C4'-P energy: -86.549
tors. eta vs tors. theta energy: -167.450
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: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2003.536978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.536978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.536978 (E_RNA)
where:
Base-Base interactions energy: -1390.469
where: short stacking energy: -587.409
Base-Backbone interact. energy: 1.598
local terms energy: -614.665569
where:
bonds (distance) C4'-P energy: -112.816
bonds (distance) P-C4' energy: -104.291
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -93.038
tors. eta vs tors. theta energy: -179.883
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: 367
Temperature: 1.100000
Total energy: -1826.643325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.643325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.643325 (E_RNA)
where:
Base-Base interactions energy: -1238.013
where: short stacking energy: -519.036
Base-Backbone interact. energy: -4.125
local terms energy: -584.505845
where:
bonds (distance) C4'-P energy: -101.260
bonds (distance) P-C4' energy: -108.263
flat angles C4'-P-C4' energy: -137.177
flat angles P-C4'-P energy: -86.075
tors. eta vs tors. theta energy: -151.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1608.181959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.181959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.181959 (E_RNA)
where:
Base-Base interactions energy: -1055.713
where: short stacking energy: -461.147
Base-Backbone interact. energy: 0.461
local terms energy: -552.929842
where:
bonds (distance) C4'-P energy: -110.640
bonds (distance) P-C4' energy: -122.395
flat angles C4'-P-C4' energy: -109.827
flat angles P-C4'-P energy: -77.030
tors. eta vs tors. theta energy: -133.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1210.004539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.004539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.004539 (E_RNA)
where:
Base-Base interactions energy: -752.300
where: short stacking energy: -350.216
Base-Backbone interact. energy: 2.752
local terms energy: -460.456447
where:
bonds (distance) C4'-P energy: -107.431
bonds (distance) P-C4' energy: -122.297
flat angles C4'-P-C4' energy: -103.833
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -59.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -922.334839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.334839 (E_RNA)
where:
Base-Base interactions energy: -501.682
where: short stacking energy: -269.546
Base-Backbone interact. energy: 3.650
local terms energy: -424.303004
where:
bonds (distance) C4'-P energy: -106.749
bonds (distance) P-C4' energy: -111.510
flat angles C4'-P-C4' energy: -111.503
flat angles P-C4'-P energy: -60.273
tors. eta vs tors. theta energy: -34.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -741.231605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.231605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.231605 (E_RNA)
where:
Base-Base interactions energy: -394.004
where: short stacking energy: -220.422
Base-Backbone interact. energy: 4.460
local terms energy: -351.688332
where:
bonds (distance) C4'-P energy: -76.276
bonds (distance) P-C4' energy: -119.900
flat angles C4'-P-C4' energy: -98.573
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: 4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -613.995709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.995709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.995709 (E_RNA)
where:
Base-Base interactions energy: -295.052
where: short stacking energy: -198.513
Base-Backbone interact. energy: 3.235
local terms energy: -322.179179
where:
bonds (distance) C4'-P energy: -91.559
bonds (distance) P-C4' energy: -107.920
flat angles C4'-P-C4' energy: -78.542
flat angles P-C4'-P energy: -45.603
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2183.690917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.690917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.690917 (E_RNA)
where:
Base-Base interactions energy: -1485.554
where: short stacking energy: -692.931
Base-Backbone interact. energy: -2.984
local terms energy: -695.152830
where:
bonds (distance) C4'-P energy: -115.239
bonds (distance) P-C4' energy: -120.127
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -92.490
tors. eta vs tors. theta energy: -214.629
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: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2092.130805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.130805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.130805 (E_RNA)
where:
Base-Base interactions energy: -1447.449
where: short stacking energy: -594.713
Base-Backbone interact. energy: -2.259
local terms energy: -642.422880
where:
bonds (distance) C4'-P energy: -127.627
bonds (distance) P-C4' energy: -125.944
flat angles C4'-P-C4' energy: -136.267
flat angles P-C4'-P energy: -90.834
tors. eta vs tors. theta energy: -161.751
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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1959.362058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.362058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.362058 (E_RNA)
where:
Base-Base interactions energy: -1382.175
where: short stacking energy: -545.690
Base-Backbone interact. energy: -2.039
local terms energy: -575.148719
where:
bonds (distance) C4'-P energy: -119.381
bonds (distance) P-C4' energy: -101.337
flat angles C4'-P-C4' energy: -134.500
flat angles P-C4'-P energy: -93.855
tors. eta vs tors. theta energy: -126.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1944.162823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.162823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.162823 (E_RNA)
where:
Base-Base interactions energy: -1360.806
where: short stacking energy: -562.874
Base-Backbone interact. energy: -5.106
local terms energy: -578.251062
where:
bonds (distance) C4'-P energy: -109.975
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -119.103
flat angles P-C4'-P energy: -75.515
tors. eta vs tors. theta energy: -161.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1787.967581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.967581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.967581 (E_RNA)
where:
Base-Base interactions energy: -1210.963
where: short stacking energy: -506.628
Base-Backbone interact. energy: -1.817
local terms energy: -575.187833
where:
bonds (distance) C4'-P energy: -106.163
bonds (distance) P-C4' energy: -109.951
flat angles C4'-P-C4' energy: -136.116
flat angles P-C4'-P energy: -67.582
tors. eta vs tors. theta energy: -155.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1661.061214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.061214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.061214 (E_RNA)
where:
Base-Base interactions energy: -1116.889
where: short stacking energy: -495.149
Base-Backbone interact. energy: -1.584
local terms energy: -542.587957
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -103.533
flat angles C4'-P-C4' energy: -105.328
flat angles P-C4'-P energy: -79.166
tors. eta vs tors. theta energy: -142.926
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1242.172284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.172284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.172284 (E_RNA)
where:
Base-Base interactions energy: -802.672
where: short stacking energy: -364.143
Base-Backbone interact. energy: 2.792
local terms energy: -442.291799
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -100.357
flat angles C4'-P-C4' energy: -109.892
flat angles P-C4'-P energy: -65.834
tors. eta vs tors. theta energy: -62.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -939.795898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.795898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.795898 (E_RNA)
where:
Base-Base interactions energy: -539.982
where: short stacking energy: -255.680
Base-Backbone interact. energy: 1.351
local terms energy: -401.164731
where:
bonds (distance) C4'-P energy: -91.424
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -102.681
flat angles P-C4'-P energy: -58.483
tors. eta vs tors. theta energy: -33.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -671.150973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.150973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.150973 (E_RNA)
where:
Base-Base interactions energy: -285.581
where: short stacking energy: -193.820
Base-Backbone interact. energy: 5.568
local terms energy: -391.137958
where:
bonds (distance) C4'-P energy: -92.136
bonds (distance) P-C4' energy: -134.057
flat angles C4'-P-C4' energy: -98.534
flat angles P-C4'-P energy: -63.221
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -699.575937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.575937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.575937 (E_RNA)
where:
Base-Base interactions energy: -389.892
where: short stacking energy: -218.079
Base-Backbone interact. energy: 0.075
local terms energy: -309.759229
where:
bonds (distance) C4'-P energy: -73.456
bonds (distance) P-C4' energy: -102.449
flat angles C4'-P-C4' energy: -83.886
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -9.073
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: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2205.009288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.009288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.009288 (E_RNA)
where:
Base-Base interactions energy: -1504.110
where: short stacking energy: -679.908
Base-Backbone interact. energy: -3.906
local terms energy: -696.993352
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -136.134
flat angles C4'-P-C4' energy: -140.478
flat angles P-C4'-P energy: -83.170
tors. eta vs tors. theta energy: -213.261
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: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2093.021527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.021527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.021527 (E_RNA)
where:
Base-Base interactions energy: -1436.787
where: short stacking energy: -605.383
Base-Backbone interact. energy: -4.830
local terms energy: -651.404398
where:
bonds (distance) C4'-P energy: -118.013
bonds (distance) P-C4' energy: -128.368
flat angles C4'-P-C4' energy: -136.943
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -179.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1988.373679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.373679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.373679 (E_RNA)
where:
Base-Base interactions energy: -1410.864
where: short stacking energy: -551.359
Base-Backbone interact. energy: 0.001
local terms energy: -577.511320
where:
bonds (distance) C4'-P energy: -108.962
bonds (distance) P-C4' energy: -121.721
flat angles C4'-P-C4' energy: -129.614
flat angles P-C4'-P energy: -83.560
tors. eta vs tors. theta energy: -133.655
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: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1962.032922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.032922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.032922 (E_RNA)
where:
Base-Base interactions energy: -1344.758
where: short stacking energy: -577.456
Base-Backbone interact. energy: -2.174
local terms energy: -615.100779
where:
bonds (distance) C4'-P energy: -113.057
bonds (distance) P-C4' energy: -121.782
flat angles C4'-P-C4' energy: -127.553
flat angles P-C4'-P energy: -85.570
tors. eta vs tors. theta energy: -167.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1803.272453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.272453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.272453 (E_RNA)
where:
Base-Base interactions energy: -1221.227
where: short stacking energy: -528.462
Base-Backbone interact. energy: -2.460
local terms energy: -579.585771
where:
bonds (distance) C4'-P energy: -118.321
bonds (distance) P-C4' energy: -114.042
flat angles C4'-P-C4' energy: -125.529
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: -152.925
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: 369
Temperature: 1.150000
Total energy: -1660.898118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.898118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.898118 (E_RNA)
where:
Base-Base interactions energy: -1111.570
where: short stacking energy: -498.241
Base-Backbone interact. energy: -1.866
local terms energy: -547.461778
where:
bonds (distance) C4'-P energy: -102.707
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -118.641
flat angles P-C4'-P energy: -78.533
tors. eta vs tors. theta energy: -136.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1310.268841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.268841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.268841 (E_RNA)
where:
Base-Base interactions energy: -807.558
where: short stacking energy: -385.593
Base-Backbone interact. energy: 0.406
local terms energy: -503.117245
where:
bonds (distance) C4'-P energy: -104.966
bonds (distance) P-C4' energy: -122.988
flat angles C4'-P-C4' energy: -127.761
flat angles P-C4'-P energy: -67.685
tors. eta vs tors. theta energy: -79.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -927.863570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.863570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.863570 (E_RNA)
where:
Base-Base interactions energy: -507.072
where: short stacking energy: -275.355
Base-Backbone interact. energy: 0.345
local terms energy: -421.136431
where:
bonds (distance) C4'-P energy: -103.821
bonds (distance) P-C4' energy: -111.458
flat angles C4'-P-C4' energy: -112.659
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -654.921080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.921080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.921080 (E_RNA)
where:
Base-Base interactions energy: -284.397
where: short stacking energy: -174.229
Base-Backbone interact. energy: 1.067
local terms energy: -371.590644
where:
bonds (distance) C4'-P energy: -85.462
bonds (distance) P-C4' energy: -127.909
flat angles C4'-P-C4' energy: -94.685
flat angles P-C4'-P energy: -64.267
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -743.685862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.685862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.685862 (E_RNA)
where:
Base-Base interactions energy: -394.388
where: short stacking energy: -204.437
Base-Backbone interact. energy: 1.768
local terms energy: -351.065366
where:
bonds (distance) C4'-P energy: -96.354
bonds (distance) P-C4' energy: -95.650
flat angles C4'-P-C4' energy: -92.327
flat angles P-C4'-P energy: -54.214
tors. eta vs tors. theta energy: -12.520
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2195.122775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.122775 (E_RNA)
where:
Base-Base interactions energy: -1492.307
where: short stacking energy: -686.410
Base-Backbone interact. energy: -2.885
local terms energy: -699.930429
where:
bonds (distance) C4'-P energy: -125.840
bonds (distance) P-C4' energy: -129.985
flat angles C4'-P-C4' energy: -136.827
flat angles P-C4'-P energy: -100.252
tors. eta vs tors. theta energy: -207.026
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2081.148262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.148262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.148262 (E_RNA)
where:
Base-Base interactions energy: -1433.770
where: short stacking energy: -602.125
Base-Backbone interact. energy: -0.957
local terms energy: -646.421639
where:
bonds (distance) C4'-P energy: -128.188
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -142.968
flat angles P-C4'-P energy: -87.191
tors. eta vs tors. theta energy: -170.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1983.324292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.324292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.324292 (E_RNA)
where:
Base-Base interactions energy: -1373.842
where: short stacking energy: -564.128
Base-Backbone interact. energy: -2.272
local terms energy: -607.210023
where:
bonds (distance) C4'-P energy: -115.252
bonds (distance) P-C4' energy: -127.185
flat angles C4'-P-C4' energy: -138.590
flat angles P-C4'-P energy: -88.471
tors. eta vs tors. theta energy: -137.713
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: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1948.968056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.968056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.968056 (E_RNA)
where:
Base-Base interactions energy: -1316.500
where: short stacking energy: -547.764
Base-Backbone interact. energy: -4.558
local terms energy: -627.909847
where:
bonds (distance) C4'-P energy: -114.675
bonds (distance) P-C4' energy: -109.954
flat angles C4'-P-C4' energy: -143.376
flat angles P-C4'-P energy: -95.764
tors. eta vs tors. theta energy: -164.142
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: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1821.743550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.743550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.743550 (E_RNA)
where:
Base-Base interactions energy: -1244.385
where: short stacking energy: -540.996
Base-Backbone interact. energy: -1.111
local terms energy: -576.247354
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -119.795
flat angles C4'-P-C4' energy: -120.522
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -157.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1567.107640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.107640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.107640 (E_RNA)
where:
Base-Base interactions energy: -1039.701
where: short stacking energy: -473.487
Base-Backbone interact. energy: 1.263
local terms energy: -528.669774
where:
bonds (distance) C4'-P energy: -94.406
bonds (distance) P-C4' energy: -110.883
flat angles C4'-P-C4' energy: -123.038
flat angles P-C4'-P energy: -76.037
tors. eta vs tors. theta energy: -124.306
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1278.052169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.052169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.052169 (E_RNA)
where:
Base-Base interactions energy: -791.323
where: short stacking energy: -345.626
Base-Backbone interact. energy: 2.339
local terms energy: -489.068239
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -126.528
flat angles C4'-P-C4' energy: -104.300
flat angles P-C4'-P energy: -65.098
tors. eta vs tors. theta energy: -85.696
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: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -935.824373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.824373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.824373 (E_RNA)
where:
Base-Base interactions energy: -481.353
where: short stacking energy: -243.691
Base-Backbone interact. energy: -1.917
local terms energy: -452.554738
where:
bonds (distance) C4'-P energy: -118.344
bonds (distance) P-C4' energy: -111.300
flat angles C4'-P-C4' energy: -112.276
flat angles P-C4'-P energy: -68.243
tors. eta vs tors. theta energy: -42.391
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: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -778.125796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.125796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.125796 (E_RNA)
where:
Base-Base interactions energy: -422.310
where: short stacking energy: -226.659
Base-Backbone interact. energy: 0.220
local terms energy: -356.035920
where:
bonds (distance) C4'-P energy: -96.165
bonds (distance) P-C4' energy: -108.362
flat angles C4'-P-C4' energy: -94.327
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: -12.490
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: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -605.161313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.161313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.161313 (E_RNA)
where:
Base-Base interactions energy: -291.838
where: short stacking energy: -187.349
Base-Backbone interact. energy: 2.355
local terms energy: -315.678177
where:
bonds (distance) C4'-P energy: -96.972
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -92.887
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: 14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2179.787239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.787239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.787239 (E_RNA)
where:
Base-Base interactions energy: -1471.573
where: short stacking energy: -668.032
Base-Backbone interact. energy: -1.181
local terms energy: -707.033501
where:
bonds (distance) C4'-P energy: -130.870
bonds (distance) P-C4' energy: -134.475
flat angles C4'-P-C4' energy: -138.775
flat angles P-C4'-P energy: -96.019
tors. eta vs tors. theta energy: -206.894
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: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2066.515661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.515661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.515661 (E_RNA)
where:
Base-Base interactions energy: -1443.286
where: short stacking energy: -590.918
Base-Backbone interact. energy: -0.099
local terms energy: -623.130820
where:
bonds (distance) C4'-P energy: -111.022
bonds (distance) P-C4' energy: -118.122
flat angles C4'-P-C4' energy: -139.223
flat angles P-C4'-P energy: -101.809
tors. eta vs tors. theta energy: -152.954
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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2018.234759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.234759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.234759 (E_RNA)
where:
Base-Base interactions energy: -1426.107
where: short stacking energy: -557.818
Base-Backbone interact. energy: -1.223
local terms energy: -590.903869
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -120.226
flat angles C4'-P-C4' energy: -128.557
flat angles P-C4'-P energy: -86.857
tors. eta vs tors. theta energy: -137.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1919.491087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.491087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.491087 (E_RNA)
where:
Base-Base interactions energy: -1286.706
where: short stacking energy: -530.881
Base-Backbone interact. energy: -5.210
local terms energy: -627.574900
where:
bonds (distance) C4'-P energy: -118.070
bonds (distance) P-C4' energy: -113.567
flat angles C4'-P-C4' energy: -150.877
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -163.873
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: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1800.100515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.100515 (E_RNA)
where:
Base-Base interactions energy: -1211.712
where: short stacking energy: -538.731
Base-Backbone interact. energy: 0.885
local terms energy: -589.273718
where:
bonds (distance) C4'-P energy: -115.380
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -138.822
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -148.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1540.029831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.029831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.029831 (E_RNA)
where:
Base-Base interactions energy: -988.635
where: short stacking energy: -456.198
Base-Backbone interact. energy: -0.932
local terms energy: -550.462539
where:
bonds (distance) C4'-P energy: -118.621
bonds (distance) P-C4' energy: -107.185
flat angles C4'-P-C4' energy: -122.988
flat angles P-C4'-P energy: -81.045
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: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1280.779035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.779035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.779035 (E_RNA)
where:
Base-Base interactions energy: -792.884
where: short stacking energy: -363.048
Base-Backbone interact. energy: 6.239
local terms energy: -494.133506
where:
bonds (distance) C4'-P energy: -105.262
bonds (distance) P-C4' energy: -122.568
flat angles C4'-P-C4' energy: -110.655
flat angles P-C4'-P energy: -78.752
tors. eta vs tors. theta energy: -76.896
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: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -897.808639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.808639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.808639 (E_RNA)
where:
Base-Base interactions energy: -481.599
where: short stacking energy: -274.737
Base-Backbone interact. energy: 1.658
local terms energy: -417.867918
where:
bonds (distance) C4'-P energy: -96.326
bonds (distance) P-C4' energy: -117.636
flat angles C4'-P-C4' energy: -101.102
flat angles P-C4'-P energy: -61.567
tors. eta vs tors. theta energy: -41.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -771.155972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.155972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.155972 (E_RNA)
where:
Base-Base interactions energy: -378.610
where: short stacking energy: -231.870
Base-Backbone interact. energy: 0.277
local terms energy: -392.822334
where:
bonds (distance) C4'-P energy: -112.089
bonds (distance) P-C4' energy: -107.290
flat angles C4'-P-C4' energy: -94.959
flat angles P-C4'-P energy: -57.895
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -637.964683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.964683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.964683 (E_RNA)
where:
Base-Base interactions energy: -284.578
where: short stacking energy: -174.513
Base-Backbone interact. energy: 0.990
local terms energy: -354.376962
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -121.703
flat angles C4'-P-C4' energy: -78.938
flat angles P-C4'-P energy: -53.532
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2188.156016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.156016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.156016 (E_RNA)
where:
Base-Base interactions energy: -1502.231
where: short stacking energy: -668.441
Base-Backbone interact. energy: -1.217
local terms energy: -684.707735
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -117.861
flat angles C4'-P-C4' energy: -136.387
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -211.995
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: 372
Temperature: 0.950000
Total energy: -2061.869811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.869811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.869811 (E_RNA)
where:
Base-Base interactions energy: -1408.847
where: short stacking energy: -581.312
Base-Backbone interact. energy: -3.652
local terms energy: -649.370451
where:
bonds (distance) C4'-P energy: -115.591
bonds (distance) P-C4' energy: -131.723
flat angles C4'-P-C4' energy: -138.946
flat angles P-C4'-P energy: -93.147
tors. eta vs tors. theta energy: -169.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2000.998870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.998870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.998870 (E_RNA)
where:
Base-Base interactions energy: -1388.702
where: short stacking energy: -546.204
Base-Backbone interact. energy: 3.096
local terms energy: -615.392774
where:
bonds (distance) C4'-P energy: -115.851
bonds (distance) P-C4' energy: -130.756
flat angles C4'-P-C4' energy: -138.242
flat angles P-C4'-P energy: -89.680
tors. eta vs tors. theta energy: -140.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1921.667228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.667228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.667228 (E_RNA)
where:
Base-Base interactions energy: -1311.689
where: short stacking energy: -569.460
Base-Backbone interact. energy: -2.288
local terms energy: -607.690709
where:
bonds (distance) C4'-P energy: -92.863
bonds (distance) P-C4' energy: -116.903
flat angles C4'-P-C4' energy: -136.600
flat angles P-C4'-P energy: -84.944
tors. eta vs tors. theta energy: -176.381
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: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1783.890042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.890042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.890042 (E_RNA)
where:
Base-Base interactions energy: -1208.815
where: short stacking energy: -557.052
Base-Backbone interact. energy: 1.560
local terms energy: -576.635492
where:
bonds (distance) C4'-P energy: -97.936
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -126.293
flat angles P-C4'-P energy: -80.111
tors. eta vs tors. theta energy: -156.651
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1513.574832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.574832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.574832 (E_RNA)
where:
Base-Base interactions energy: -997.638
where: short stacking energy: -450.296
Base-Backbone interact. energy: 0.306
local terms energy: -516.242828
where:
bonds (distance) C4'-P energy: -90.409
bonds (distance) P-C4' energy: -109.965
flat angles C4'-P-C4' energy: -128.141
flat angles P-C4'-P energy: -73.270
tors. eta vs tors. theta energy: -114.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1293.567528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.567528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.567528 (E_RNA)
where:
Base-Base interactions energy: -833.134
where: short stacking energy: -399.191
Base-Backbone interact. energy: 0.158
local terms energy: -460.591707
where:
bonds (distance) C4'-P energy: -102.281
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -114.446
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -80.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1010.029637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.029637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.029637 (E_RNA)
where:
Base-Base interactions energy: -566.384
where: short stacking energy: -288.779
Base-Backbone interact. energy: -1.638
local terms energy: -442.007456
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -118.755
flat angles C4'-P-C4' energy: -111.334
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -44.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -813.875175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.875175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.875175 (E_RNA)
where:
Base-Base interactions energy: -442.919
where: short stacking energy: -240.010
Base-Backbone interact. energy: 3.642
local terms energy: -374.598112
where:
bonds (distance) C4'-P energy: -102.989
bonds (distance) P-C4' energy: -84.591
flat angles C4'-P-C4' energy: -102.572
flat angles P-C4'-P energy: -49.652
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -601.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.313624 (E_RNA)
where:
Base-Base interactions energy: -259.820
where: short stacking energy: -169.057
Base-Backbone interact. energy: 3.906
local terms energy: -345.399989
where:
bonds (distance) C4'-P energy: -100.426
bonds (distance) P-C4' energy: -115.540
flat angles C4'-P-C4' energy: -83.908
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: -4.260
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2176.858522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.858522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.858522 (E_RNA)
where:
Base-Base interactions energy: -1485.539
where: short stacking energy: -638.272
Base-Backbone interact. energy: -3.459
local terms energy: -687.860638
where:
bonds (distance) C4'-P energy: -121.867
bonds (distance) P-C4' energy: -118.384
flat angles C4'-P-C4' energy: -145.633
flat angles P-C4'-P energy: -94.672
tors. eta vs tors. theta energy: -207.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2057.725382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.725382 (E_RNA)
where:
Base-Base interactions energy: -1410.575
where: short stacking energy: -594.141
Base-Backbone interact. energy: -0.432
local terms energy: -646.718252
where:
bonds (distance) C4'-P energy: -127.953
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -133.182
flat angles P-C4'-P energy: -87.902
tors. eta vs tors. theta energy: -169.375
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: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1996.675990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.675990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.675990 (E_RNA)
where:
Base-Base interactions energy: -1385.467
where: short stacking energy: -566.340
Base-Backbone interact. energy: -0.660
local terms energy: -610.549452
where:
bonds (distance) C4'-P energy: -107.395
bonds (distance) P-C4' energy: -121.669
flat angles C4'-P-C4' energy: -135.359
flat angles P-C4'-P energy: -91.450
tors. eta vs tors. theta energy: -154.677
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: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1916.913715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.913715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.913715 (E_RNA)
where:
Base-Base interactions energy: -1292.191
where: short stacking energy: -562.100
Base-Backbone interact. energy: -1.183
local terms energy: -623.539970
where:
bonds (distance) C4'-P energy: -121.313
bonds (distance) P-C4' energy: -116.676
flat angles C4'-P-C4' energy: -140.137
flat angles P-C4'-P energy: -85.138
tors. eta vs tors. theta energy: -160.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1790.814026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.814026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.814026 (E_RNA)
where:
Base-Base interactions energy: -1220.884
where: short stacking energy: -534.217
Base-Backbone interact. energy: 1.343
local terms energy: -571.273333
where:
bonds (distance) C4'-P energy: -97.361
bonds (distance) P-C4' energy: -111.426
flat angles C4'-P-C4' energy: -136.356
flat angles P-C4'-P energy: -80.623
tors. eta vs tors. theta energy: -145.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1556.656496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.656496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.656496 (E_RNA)
where:
Base-Base interactions energy: -988.225
where: short stacking energy: -465.069
Base-Backbone interact. energy: -4.605
local terms energy: -563.825945
where:
bonds (distance) C4'-P energy: -101.322
bonds (distance) P-C4' energy: -124.265
flat angles C4'-P-C4' energy: -126.918
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -131.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1296.232028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.232028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.232028 (E_RNA)
where:
Base-Base interactions energy: -800.546
where: short stacking energy: -359.417
Base-Backbone interact. energy: -0.612
local terms energy: -495.074062
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -105.774
flat angles C4'-P-C4' energy: -125.657
flat angles P-C4'-P energy: -78.901
tors. eta vs tors. theta energy: -73.041
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: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -950.446731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.446731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.446731 (E_RNA)
where:
Base-Base interactions energy: -550.233
where: short stacking energy: -259.624
Base-Backbone interact. energy: 1.250
local terms energy: -401.463520
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -120.097
flat angles C4'-P-C4' energy: -95.842
flat angles P-C4'-P energy: -64.608
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -772.481702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.481702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.481702 (E_RNA)
where:
Base-Base interactions energy: -395.184
where: short stacking energy: -214.332
Base-Backbone interact. energy: -1.029
local terms energy: -376.268256
where:
bonds (distance) C4'-P energy: -104.025
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -82.829
flat angles P-C4'-P energy: -64.953
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -571.332535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.332535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.332535 (E_RNA)
where:
Base-Base interactions energy: -282.541
where: short stacking energy: -180.670
Base-Backbone interact. energy: 0.317
local terms energy: -289.108246
where:
bonds (distance) C4'-P energy: -91.106
bonds (distance) P-C4' energy: -105.756
flat angles C4'-P-C4' energy: -76.183
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2167.949672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.949672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.949672 (E_RNA)
where:
Base-Base interactions energy: -1498.645
where: short stacking energy: -642.585
Base-Backbone interact. energy: -3.303
local terms energy: -666.001222
where:
bonds (distance) C4'-P energy: -113.019
bonds (distance) P-C4' energy: -124.902
flat angles C4'-P-C4' energy: -142.098
flat angles P-C4'-P energy: -91.104
tors. eta vs tors. theta energy: -194.878
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: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2088.501803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.501803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.501803 (E_RNA)
where:
Base-Base interactions energy: -1424.198
where: short stacking energy: -607.990
Base-Backbone interact. energy: -3.432
local terms energy: -660.871945
where:
bonds (distance) C4'-P energy: -133.009
bonds (distance) P-C4' energy: -130.160
flat angles C4'-P-C4' energy: -142.328
flat angles P-C4'-P energy: -88.972
tors. eta vs tors. theta energy: -166.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1991.697851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.697851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.697851 (E_RNA)
where:
Base-Base interactions energy: -1401.024
where: short stacking energy: -569.995
Base-Backbone interact. energy: -4.035
local terms energy: -586.639352
where:
bonds (distance) C4'-P energy: -125.674
bonds (distance) P-C4' energy: -114.445
flat angles C4'-P-C4' energy: -131.262
flat angles P-C4'-P energy: -80.052
tors. eta vs tors. theta energy: -135.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1955.287635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.287635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.287635 (E_RNA)
where:
Base-Base interactions energy: -1341.124
where: short stacking energy: -547.946
Base-Backbone interact. energy: -3.779
local terms energy: -610.384110
where:
bonds (distance) C4'-P energy: -113.781
bonds (distance) P-C4' energy: -121.619
flat angles C4'-P-C4' energy: -130.855
flat angles P-C4'-P energy: -81.924
tors. eta vs tors. theta energy: -162.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1752.726635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.726635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.726635 (E_RNA)
where:
Base-Base interactions energy: -1165.201
where: short stacking energy: -509.638
Base-Backbone interact. energy: 0.997
local terms energy: -588.522938
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -126.267
flat angles C4'-P-C4' energy: -129.186
flat angles P-C4'-P energy: -62.198
tors. eta vs tors. theta energy: -142.624
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: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1556.667321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.667321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.667321 (E_RNA)
where:
Base-Base interactions energy: -1030.378
where: short stacking energy: -454.473
Base-Backbone interact. energy: 3.268
local terms energy: -529.558064
where:
bonds (distance) C4'-P energy: -101.283
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -112.393
flat angles P-C4'-P energy: -90.474
tors. eta vs tors. theta energy: -122.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1280.601187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.601187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.601187 (E_RNA)
where:
Base-Base interactions energy: -821.912
where: short stacking energy: -389.276
Base-Backbone interact. energy: 0.130
local terms energy: -458.819847
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -112.931
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -60.343
tors. eta vs tors. theta energy: -67.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -971.580123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.580123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.580123 (E_RNA)
where:
Base-Base interactions energy: -570.443
where: short stacking energy: -304.745
Base-Backbone interact. energy: 1.215
local terms energy: -402.351263
where:
bonds (distance) C4'-P energy: -97.055
bonds (distance) P-C4' energy: -103.151
flat angles C4'-P-C4' energy: -91.059
flat angles P-C4'-P energy: -70.805
tors. eta vs tors. theta energy: -40.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -798.333001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.333001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.333001 (E_RNA)
where:
Base-Base interactions energy: -436.102
where: short stacking energy: -236.957
Base-Backbone interact. energy: 2.534
local terms energy: -364.765496
where:
bonds (distance) C4'-P energy: -101.838
bonds (distance) P-C4' energy: -109.873
flat angles C4'-P-C4' energy: -95.591
flat angles P-C4'-P energy: -53.422
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -606.093327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.093327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.093327 (E_RNA)
where:
Base-Base interactions energy: -289.913
where: short stacking energy: -170.802
Base-Backbone interact. energy: 2.627
local terms energy: -318.807661
where:
bonds (distance) C4'-P energy: -88.798
bonds (distance) P-C4' energy: -114.956
flat angles C4'-P-C4' energy: -80.697
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: 12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2174.190112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.190112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.190112 (E_RNA)
where:
Base-Base interactions energy: -1479.516
where: short stacking energy: -656.921
Base-Backbone interact. energy: -2.420
local terms energy: -692.253707
where:
bonds (distance) C4'-P energy: -119.846
bonds (distance) P-C4' energy: -129.168
flat angles C4'-P-C4' energy: -149.342
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -199.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2053.456572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.456572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.456572 (E_RNA)
where:
Base-Base interactions energy: -1407.244
where: short stacking energy: -602.066
Base-Backbone interact. energy: -4.607
local terms energy: -641.605737
where:
bonds (distance) C4'-P energy: -119.279
bonds (distance) P-C4' energy: -131.471
flat angles C4'-P-C4' energy: -143.641
flat angles P-C4'-P energy: -78.264
tors. eta vs tors. theta energy: -168.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2027.874733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.874733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.874733 (E_RNA)
where:
Base-Base interactions energy: -1393.176
where: short stacking energy: -546.714
Base-Backbone interact. energy: -3.375
local terms energy: -631.323634
where:
bonds (distance) C4'-P energy: -122.721
bonds (distance) P-C4' energy: -133.018
flat angles C4'-P-C4' energy: -146.248
flat angles P-C4'-P energy: -84.494
tors. eta vs tors. theta energy: -144.844
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: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1914.662370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.662370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.662370 (E_RNA)
where:
Base-Base interactions energy: -1300.317
where: short stacking energy: -565.670
Base-Backbone interact. energy: -2.517
local terms energy: -611.828748
where:
bonds (distance) C4'-P energy: -117.839
bonds (distance) P-C4' energy: -120.244
flat angles C4'-P-C4' energy: -123.543
flat angles P-C4'-P energy: -91.043
tors. eta vs tors. theta energy: -159.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1804.981658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.981658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.981658 (E_RNA)
where:
Base-Base interactions energy: -1251.688
where: short stacking energy: -531.545
Base-Backbone interact. energy: -2.887
local terms energy: -550.406659
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -99.405
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -81.263
tors. eta vs tors. theta energy: -156.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1535.917034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.917034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.917034 (E_RNA)
where:
Base-Base interactions energy: -984.131
where: short stacking energy: -463.433
Base-Backbone interact. energy: -2.034
local terms energy: -549.751691
where:
bonds (distance) C4'-P energy: -100.223
bonds (distance) P-C4' energy: -117.910
flat angles C4'-P-C4' energy: -119.350
flat angles P-C4'-P energy: -81.671
tors. eta vs tors. theta energy: -130.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1333.879175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.879175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.879175 (E_RNA)
where:
Base-Base interactions energy: -830.728
where: short stacking energy: -386.740
Base-Backbone interact. energy: 0.553
local terms energy: -503.704560
where:
bonds (distance) C4'-P energy: -109.672
bonds (distance) P-C4' energy: -111.351
flat angles C4'-P-C4' energy: -102.934
flat angles P-C4'-P energy: -84.212
tors. eta vs tors. theta energy: -95.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -934.243873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.243873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.243873 (E_RNA)
where:
Base-Base interactions energy: -512.110
where: short stacking energy: -280.007
Base-Backbone interact. energy: 2.555
local terms energy: -424.688102
where:
bonds (distance) C4'-P energy: -111.518
bonds (distance) P-C4' energy: -97.348
flat angles C4'-P-C4' energy: -115.243
flat angles P-C4'-P energy: -61.662
tors. eta vs tors. theta energy: -38.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -745.414939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.414939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.414939 (E_RNA)
where:
Base-Base interactions energy: -405.604
where: short stacking energy: -224.100
Base-Backbone interact. energy: 2.045
local terms energy: -341.855126
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -112.186
flat angles C4'-P-C4' energy: -89.033
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -593.370460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.370460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.370460 (E_RNA)
where:
Base-Base interactions energy: -302.174
where: short stacking energy: -174.166
Base-Backbone interact. energy: 4.587
local terms energy: -295.783016
where:
bonds (distance) C4'-P energy: -94.371
bonds (distance) P-C4' energy: -103.602
flat angles C4'-P-C4' energy: -72.621
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: 8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2215.525473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.525473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.525473 (E_RNA)
where:
Base-Base interactions energy: -1527.062
where: short stacking energy: -688.280
Base-Backbone interact. energy: -1.872
local terms energy: -686.591320
where:
bonds (distance) C4'-P energy: -119.602
bonds (distance) P-C4' energy: -112.082
flat angles C4'-P-C4' energy: -147.098
flat angles P-C4'-P energy: -98.379
tors. eta vs tors. theta energy: -209.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2119.964540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.964540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.964540 (E_RNA)
where:
Base-Base interactions energy: -1460.579
where: short stacking energy: -603.221
Base-Backbone interact. energy: -0.926
local terms energy: -658.459654
where:
bonds (distance) C4'-P energy: -127.353
bonds (distance) P-C4' energy: -125.208
flat angles C4'-P-C4' energy: -151.508
flat angles P-C4'-P energy: -89.816
tors. eta vs tors. theta energy: -164.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1985.986509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.986509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.986509 (E_RNA)
where:
Base-Base interactions energy: -1396.748
where: short stacking energy: -567.394
Base-Backbone interact. energy: -1.938
local terms energy: -587.300633
where:
bonds (distance) C4'-P energy: -113.894
bonds (distance) P-C4' energy: -114.322
flat angles C4'-P-C4' energy: -132.107
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -141.956
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: 376
Temperature: 1.050000
Total energy: -1946.246818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.246818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.246818 (E_RNA)
where:
Base-Base interactions energy: -1336.009
where: short stacking energy: -570.031
Base-Backbone interact. energy: -3.306
local terms energy: -606.931212
where:
bonds (distance) C4'-P energy: -117.938
bonds (distance) P-C4' energy: -115.829
flat angles C4'-P-C4' energy: -139.989
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -158.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1794.363848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.363848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.363848 (E_RNA)
where:
Base-Base interactions energy: -1206.473
where: short stacking energy: -540.222
Base-Backbone interact. energy: -0.361
local terms energy: -587.530090
where:
bonds (distance) C4'-P energy: -110.288
bonds (distance) P-C4' energy: -116.345
flat angles C4'-P-C4' energy: -127.444
flat angles P-C4'-P energy: -81.262
tors. eta vs tors. theta energy: -152.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1584.375452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.375452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.375452 (E_RNA)
where:
Base-Base interactions energy: -1047.797
where: short stacking energy: -456.521
Base-Backbone interact. energy: -3.040
local terms energy: -533.538287
where:
bonds (distance) C4'-P energy: -91.502
bonds (distance) P-C4' energy: -112.395
flat angles C4'-P-C4' energy: -126.974
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -125.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1365.687988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.687988 (E_RNA)
where:
Base-Base interactions energy: -882.168
where: short stacking energy: -415.276
Base-Backbone interact. energy: -0.951
local terms energy: -482.568384
where:
bonds (distance) C4'-P energy: -92.721
bonds (distance) P-C4' energy: -112.355
flat angles C4'-P-C4' energy: -105.762
flat angles P-C4'-P energy: -71.592
tors. eta vs tors. theta energy: -100.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -955.413768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.413768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.413768 (E_RNA)
where:
Base-Base interactions energy: -511.215
where: short stacking energy: -266.814
Base-Backbone interact. energy: -0.458
local terms energy: -443.740954
where:
bonds (distance) C4'-P energy: -95.162
bonds (distance) P-C4' energy: -121.093
flat angles C4'-P-C4' energy: -110.081
flat angles P-C4'-P energy: -86.757
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -725.495472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.495472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.495472 (E_RNA)
where:
Base-Base interactions energy: -354.029
where: short stacking energy: -213.608
Base-Backbone interact. energy: 7.110
local terms energy: -378.576722
where:
bonds (distance) C4'-P energy: -98.962
bonds (distance) P-C4' energy: -98.682
flat angles C4'-P-C4' energy: -121.124
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -11.418
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: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -605.817427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.817427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.817427 (E_RNA)
where:
Base-Base interactions energy: -294.066
where: short stacking energy: -191.797
Base-Backbone interact. energy: 0.499
local terms energy: -312.250469
where:
bonds (distance) C4'-P energy: -100.401
bonds (distance) P-C4' energy: -102.718
flat angles C4'-P-C4' energy: -78.559
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: 17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2233.724159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.724159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.724159 (E_RNA)
where:
Base-Base interactions energy: -1519.596
where: short stacking energy: -666.321
Base-Backbone interact. energy: -2.892
local terms energy: -711.235752
where:
bonds (distance) C4'-P energy: -122.839
bonds (distance) P-C4' energy: -132.087
flat angles C4'-P-C4' energy: -151.816
flat angles P-C4'-P energy: -105.969
tors. eta vs tors. theta energy: -198.526
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: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2086.778428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.778428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.778428 (E_RNA)
where:
Base-Base interactions energy: -1469.583
where: short stacking energy: -631.939
Base-Backbone interact. energy: -4.415
local terms energy: -612.780584
where:
bonds (distance) C4'-P energy: -116.956
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -128.246
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -171.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2012.444295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.444295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.444295 (E_RNA)
where:
Base-Base interactions energy: -1392.253
where: short stacking energy: -564.227
Base-Backbone interact. energy: -4.431
local terms energy: -615.760495
where:
bonds (distance) C4'-P energy: -129.297
bonds (distance) P-C4' energy: -122.489
flat angles C4'-P-C4' energy: -130.033
flat angles P-C4'-P energy: -87.389
tors. eta vs tors. theta energy: -146.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1948.136352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.136352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.136352 (E_RNA)
where:
Base-Base interactions energy: -1325.403
where: short stacking energy: -596.361
Base-Backbone interact. energy: -0.667
local terms energy: -622.066730
where:
bonds (distance) C4'-P energy: -113.973
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -139.587
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -173.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1814.091989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.091989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.091989 (E_RNA)
where:
Base-Base interactions energy: -1213.922
where: short stacking energy: -522.634
Base-Backbone interact. energy: -1.167
local terms energy: -599.003289
where:
bonds (distance) C4'-P energy: -104.438
bonds (distance) P-C4' energy: -123.232
flat angles C4'-P-C4' energy: -137.605
flat angles P-C4'-P energy: -78.523
tors. eta vs tors. theta energy: -155.204
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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1587.846785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.846785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.846785 (E_RNA)
where:
Base-Base interactions energy: -1071.658
where: short stacking energy: -459.199
Base-Backbone interact. energy: -3.019
local terms energy: -513.169764
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -102.352
flat angles C4'-P-C4' energy: -114.640
flat angles P-C4'-P energy: -77.584
tors. eta vs tors. theta energy: -116.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1249.376147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.376147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.376147 (E_RNA)
where:
Base-Base interactions energy: -804.227
where: short stacking energy: -378.882
Base-Backbone interact. energy: 0.059
local terms energy: -445.208460
where:
bonds (distance) C4'-P energy: -124.451
bonds (distance) P-C4' energy: -97.720
flat angles C4'-P-C4' energy: -108.777
flat angles P-C4'-P energy: -46.487
tors. eta vs tors. theta energy: -67.774
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: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -951.371111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.371111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.371111 (E_RNA)
where:
Base-Base interactions energy: -508.299
where: short stacking energy: -274.287
Base-Backbone interact. energy: -0.303
local terms energy: -442.769176
where:
bonds (distance) C4'-P energy: -110.588
bonds (distance) P-C4' energy: -117.309
flat angles C4'-P-C4' energy: -99.115
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -43.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -798.272468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.272468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.272468 (E_RNA)
where:
Base-Base interactions energy: -436.063
where: short stacking energy: -270.393
Base-Backbone interact. energy: -1.491
local terms energy: -360.718596
where:
bonds (distance) C4'-P energy: -96.204
bonds (distance) P-C4' energy: -86.709
flat angles C4'-P-C4' energy: -96.695
flat angles P-C4'-P energy: -55.671
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: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -609.289930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.289930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.289930 (E_RNA)
where:
Base-Base interactions energy: -271.951
where: short stacking energy: -161.113
Base-Backbone interact. energy: -2.102
local terms energy: -335.237210
where:
bonds (distance) C4'-P energy: -77.709
bonds (distance) P-C4' energy: -109.958
flat angles C4'-P-C4' energy: -93.126
flat angles P-C4'-P energy: -59.967
tors. eta vs tors. theta energy: 5.523
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: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2209.331155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.331155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.331155 (E_RNA)
where:
Base-Base interactions energy: -1501.463
where: short stacking energy: -672.382
Base-Backbone interact. energy: -2.538
local terms energy: -705.330889
where:
bonds (distance) C4'-P energy: -130.329
bonds (distance) P-C4' energy: -132.645
flat angles C4'-P-C4' energy: -139.640
flat angles P-C4'-P energy: -92.060
tors. eta vs tors. theta energy: -210.657
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2072.646952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.646952 (E_RNA)
where:
Base-Base interactions energy: -1413.406
where: short stacking energy: -601.147
Base-Backbone interact. energy: -3.186
local terms energy: -656.055144
where:
bonds (distance) C4'-P energy: -121.425
bonds (distance) P-C4' energy: -117.162
flat angles C4'-P-C4' energy: -144.930
flat angles P-C4'-P energy: -98.852
tors. eta vs tors. theta energy: -173.687
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: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1983.516987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.516987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.516987 (E_RNA)
where:
Base-Base interactions energy: -1390.178
where: short stacking energy: -549.765
Base-Backbone interact. energy: -1.132
local terms energy: -592.207403
where:
bonds (distance) C4'-P energy: -103.504
bonds (distance) P-C4' energy: -115.274
flat angles C4'-P-C4' energy: -139.590
flat angles P-C4'-P energy: -84.840
tors. eta vs tors. theta energy: -148.999
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: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1965.649993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.649993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.649993 (E_RNA)
where:
Base-Base interactions energy: -1337.516
where: short stacking energy: -580.104
Base-Backbone interact. energy: -4.126
local terms energy: -624.008053
where:
bonds (distance) C4'-P energy: -107.913
bonds (distance) P-C4' energy: -120.956
flat angles C4'-P-C4' energy: -134.964
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -180.329
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: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1820.335627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.335627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.335627 (E_RNA)
where:
Base-Base interactions energy: -1239.137
where: short stacking energy: -521.886
Base-Backbone interact. energy: 0.248
local terms energy: -581.447004
where:
bonds (distance) C4'-P energy: -112.294
bonds (distance) P-C4' energy: -99.504
flat angles C4'-P-C4' energy: -124.272
flat angles P-C4'-P energy: -84.793
tors. eta vs tors. theta energy: -160.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1615.833183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.833183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.833183 (E_RNA)
where:
Base-Base interactions energy: -1062.698
where: short stacking energy: -469.671
Base-Backbone interact. energy: 1.101
local terms energy: -554.236434
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -118.728
flat angles P-C4'-P energy: -86.487
tors. eta vs tors. theta energy: -149.103
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: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1312.654672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.654672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.654672 (E_RNA)
where:
Base-Base interactions energy: -857.239
where: short stacking energy: -407.434
Base-Backbone interact. energy: -2.649
local terms energy: -452.766466
where:
bonds (distance) C4'-P energy: -105.075
bonds (distance) P-C4' energy: -106.999
flat angles C4'-P-C4' energy: -87.039
flat angles P-C4'-P energy: -59.279
tors. eta vs tors. theta energy: -94.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -968.782424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.782424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.782424 (E_RNA)
where:
Base-Base interactions energy: -566.115
where: short stacking energy: -306.653
Base-Backbone interact. energy: -1.268
local terms energy: -401.399238
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -103.274
flat angles P-C4'-P energy: -58.009
tors. eta vs tors. theta energy: -38.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -751.259681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.259681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.259681 (E_RNA)
where:
Base-Base interactions energy: -404.760
where: short stacking energy: -215.301
Base-Backbone interact. energy: -2.506
local terms energy: -343.994175
where:
bonds (distance) C4'-P energy: -95.083
bonds (distance) P-C4' energy: -104.102
flat angles C4'-P-C4' energy: -88.122
flat angles P-C4'-P energy: -49.068
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: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -619.059443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.059443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.059443 (E_RNA)
where:
Base-Base interactions energy: -302.652
where: short stacking energy: -195.441
Base-Backbone interact. energy: 1.379
local terms energy: -317.786623
where:
bonds (distance) C4'-P energy: -91.140
bonds (distance) P-C4' energy: -97.165
flat angles C4'-P-C4' energy: -98.440
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: 10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2232.125053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.125053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.125053 (E_RNA)
where:
Base-Base interactions energy: -1526.944
where: short stacking energy: -663.076
Base-Backbone interact. energy: 0.141
local terms energy: -705.321573
where:
bonds (distance) C4'-P energy: -126.270
bonds (distance) P-C4' energy: -128.435
flat angles C4'-P-C4' energy: -156.848
flat angles P-C4'-P energy: -80.603
tors. eta vs tors. theta energy: -213.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2098.777452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.777452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.777452 (E_RNA)
where:
Base-Base interactions energy: -1451.168
where: short stacking energy: -600.758
Base-Backbone interact. energy: 0.626
local terms energy: -648.235616
where:
bonds (distance) C4'-P energy: -112.541
bonds (distance) P-C4' energy: -124.246
flat angles C4'-P-C4' energy: -138.481
flat angles P-C4'-P energy: -100.603
tors. eta vs tors. theta energy: -172.364
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2042.472168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.472168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.472168 (E_RNA)
where:
Base-Base interactions energy: -1420.474
where: short stacking energy: -596.669
Base-Backbone interact. energy: -3.206
local terms energy: -618.792446
where:
bonds (distance) C4'-P energy: -113.271
bonds (distance) P-C4' energy: -106.196
flat angles C4'-P-C4' energy: -137.303
flat angles P-C4'-P energy: -104.800
tors. eta vs tors. theta energy: -157.222
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: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1960.715186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.715186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.715186 (E_RNA)
where:
Base-Base interactions energy: -1357.278
where: short stacking energy: -577.645
Base-Backbone interact. energy: -0.010
local terms energy: -603.427086
where:
bonds (distance) C4'-P energy: -83.555
bonds (distance) P-C4' energy: -122.747
flat angles C4'-P-C4' energy: -145.317
flat angles P-C4'-P energy: -87.090
tors. eta vs tors. theta energy: -164.718
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: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1791.760744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.760744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.760744 (E_RNA)
where:
Base-Base interactions energy: -1245.631
where: short stacking energy: -536.896
Base-Backbone interact. energy: 0.366
local terms energy: -546.495811
where:
bonds (distance) C4'-P energy: -117.932
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -115.794
flat angles P-C4'-P energy: -63.957
tors. eta vs tors. theta energy: -144.023
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: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1589.679233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.679233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.679233 (E_RNA)
where:
Base-Base interactions energy: -1033.309
where: short stacking energy: -491.428
Base-Backbone interact. energy: -0.715
local terms energy: -555.656015
where:
bonds (distance) C4'-P energy: -94.756
bonds (distance) P-C4' energy: -122.816
flat angles C4'-P-C4' energy: -129.052
flat angles P-C4'-P energy: -80.827
tors. eta vs tors. theta energy: -128.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1294.008712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.008712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.008712 (E_RNA)
where:
Base-Base interactions energy: -819.543
where: short stacking energy: -398.783
Base-Backbone interact. energy: -1.860
local terms energy: -472.605677
where:
bonds (distance) C4'-P energy: -98.337
bonds (distance) P-C4' energy: -103.165
flat angles C4'-P-C4' energy: -115.095
flat angles P-C4'-P energy: -71.357
tors. eta vs tors. theta energy: -84.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -981.568793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.568793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.568793 (E_RNA)
where:
Base-Base interactions energy: -558.590
where: short stacking energy: -302.440
Base-Backbone interact. energy: -1.348
local terms energy: -421.629939
where:
bonds (distance) C4'-P energy: -99.986
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -49.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -783.248753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.248753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.248753 (E_RNA)
where:
Base-Base interactions energy: -404.332
where: short stacking energy: -228.512
Base-Backbone interact. energy: 2.978
local terms energy: -381.894437
where:
bonds (distance) C4'-P energy: -102.493
bonds (distance) P-C4' energy: -106.460
flat angles C4'-P-C4' energy: -98.132
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -601.452543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.452543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.452543 (E_RNA)
where:
Base-Base interactions energy: -277.482
where: short stacking energy: -187.686
Base-Backbone interact. energy: -1.286
local terms energy: -322.684407
where:
bonds (distance) C4'-P energy: -101.547
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -76.719
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: 12.618
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2186.114198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.114198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.114198 (E_RNA)
where:
Base-Base interactions energy: -1508.425
where: short stacking energy: -684.929
Base-Backbone interact. energy: -0.753
local terms energy: -676.936155
where:
bonds (distance) C4'-P energy: -129.078
bonds (distance) P-C4' energy: -115.842
flat angles C4'-P-C4' energy: -139.684
flat angles P-C4'-P energy: -94.382
tors. eta vs tors. theta energy: -197.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2121.273101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.273101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.273101 (E_RNA)
where:
Base-Base interactions energy: -1473.357
where: short stacking energy: -622.325
Base-Backbone interact. energy: -2.313
local terms energy: -645.602965
where:
bonds (distance) C4'-P energy: -120.017
bonds (distance) P-C4' energy: -124.920
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -86.326
tors. eta vs tors. theta energy: -178.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2001.661201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.661201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.661201 (E_RNA)
where:
Base-Base interactions energy: -1413.537
where: short stacking energy: -576.788
Base-Backbone interact. energy: -5.934
local terms energy: -582.189917
where:
bonds (distance) C4'-P energy: -112.328
bonds (distance) P-C4' energy: -119.350
flat angles C4'-P-C4' energy: -129.665
flat angles P-C4'-P energy: -81.297
tors. eta vs tors. theta energy: -139.550
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1946.540721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.540721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.540721 (E_RNA)
where:
Base-Base interactions energy: -1346.761
where: short stacking energy: -561.691
Base-Backbone interact. energy: -3.384
local terms energy: -596.396218
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -117.883
flat angles C4'-P-C4' energy: -123.512
flat angles P-C4'-P energy: -77.120
tors. eta vs tors. theta energy: -164.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1800.471671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.471671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.471671 (E_RNA)
where:
Base-Base interactions energy: -1227.274
where: short stacking energy: -528.446
Base-Backbone interact. energy: -0.147
local terms energy: -573.050127
where:
bonds (distance) C4'-P energy: -116.856
bonds (distance) P-C4' energy: -115.470
flat angles C4'-P-C4' energy: -125.300
flat angles P-C4'-P energy: -65.856
tors. eta vs tors. theta energy: -149.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1514.298823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.298823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.298823 (E_RNA)
where:
Base-Base interactions energy: -984.264
where: short stacking energy: -449.217
Base-Backbone interact. energy: -2.261
local terms energy: -527.774418
where:
bonds (distance) C4'-P energy: -86.632
bonds (distance) P-C4' energy: -119.656
flat angles C4'-P-C4' energy: -114.997
flat angles P-C4'-P energy: -92.540
tors. eta vs tors. theta energy: -113.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1317.781351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.781351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.781351 (E_RNA)
where:
Base-Base interactions energy: -838.937
where: short stacking energy: -401.688
Base-Backbone interact. energy: -2.221
local terms energy: -476.623635
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -102.763
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -102.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -945.162771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.162771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.162771 (E_RNA)
where:
Base-Base interactions energy: -553.391
where: short stacking energy: -289.303
Base-Backbone interact. energy: 3.638
local terms energy: -395.409259
where:
bonds (distance) C4'-P energy: -112.154
bonds (distance) P-C4' energy: -98.881
flat angles C4'-P-C4' energy: -96.132
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -30.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -780.872329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.872329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.872329 (E_RNA)
where:
Base-Base interactions energy: -406.853
where: short stacking energy: -231.686
Base-Backbone interact. energy: 4.283
local terms energy: -378.302978
where:
bonds (distance) C4'-P energy: -105.366
bonds (distance) P-C4' energy: -116.453
flat angles C4'-P-C4' energy: -96.409
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -608.829345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.829345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.829345 (E_RNA)
where:
Base-Base interactions energy: -287.498
where: short stacking energy: -179.954
Base-Backbone interact. energy: -0.913
local terms energy: -320.418226
where:
bonds (distance) C4'-P energy: -92.800
bonds (distance) P-C4' energy: -100.828
flat angles C4'-P-C4' energy: -91.927
flat angles P-C4'-P energy: -57.917
tors. eta vs tors. theta energy: 23.055
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: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2215.616629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.616629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.616629 (E_RNA)
where:
Base-Base interactions energy: -1491.430
where: short stacking energy: -651.081
Base-Backbone interact. energy: -4.179
local terms energy: -720.007611
where:
bonds (distance) C4'-P energy: -116.804
bonds (distance) P-C4' energy: -132.908
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -112.986
tors. eta vs tors. theta energy: -210.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2128.114540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.114540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.114540 (E_RNA)
where:
Base-Base interactions energy: -1456.642
where: short stacking energy: -615.037
Base-Backbone interact. energy: -4.322
local terms energy: -667.151082
where:
bonds (distance) C4'-P energy: -129.322
bonds (distance) P-C4' energy: -125.146
flat angles C4'-P-C4' energy: -136.742
flat angles P-C4'-P energy: -80.447
tors. eta vs tors. theta energy: -195.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1990.575606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.575606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.575606 (E_RNA)
where:
Base-Base interactions energy: -1385.681
where: short stacking energy: -556.640
Base-Backbone interact. energy: -1.361
local terms energy: -603.533597
where:
bonds (distance) C4'-P energy: -117.206
bonds (distance) P-C4' energy: -130.397
flat angles C4'-P-C4' energy: -127.797
flat angles P-C4'-P energy: -96.720
tors. eta vs tors. theta energy: -131.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1955.936022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.936022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.936022 (E_RNA)
where:
Base-Base interactions energy: -1341.547
where: short stacking energy: -568.834
Base-Backbone interact. energy: -1.514
local terms energy: -612.874246
where:
bonds (distance) C4'-P energy: -117.330
bonds (distance) P-C4' energy: -115.378
flat angles C4'-P-C4' energy: -135.098
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -171.076
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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1792.551074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.551074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.551074 (E_RNA)
where:
Base-Base interactions energy: -1205.877
where: short stacking energy: -544.521
Base-Backbone interact. energy: 0.944
local terms energy: -587.617960
where:
bonds (distance) C4'-P energy: -107.875
bonds (distance) P-C4' energy: -111.279
flat angles C4'-P-C4' energy: -129.417
flat angles P-C4'-P energy: -84.589
tors. eta vs tors. theta energy: -154.458
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: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1514.205502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.205502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.205502 (E_RNA)
where:
Base-Base interactions energy: -983.265
where: short stacking energy: -460.742
Base-Backbone interact. energy: -1.438
local terms energy: -529.502967
where:
bonds (distance) C4'-P energy: -102.829
bonds (distance) P-C4' energy: -114.870
flat angles C4'-P-C4' energy: -118.396
flat angles P-C4'-P energy: -71.157
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1234.356270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.356270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.356270 (E_RNA)
where:
Base-Base interactions energy: -764.751
where: short stacking energy: -364.492
Base-Backbone interact. energy: -1.515
local terms energy: -468.091046
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -115.975
flat angles C4'-P-C4' energy: -109.297
flat angles P-C4'-P energy: -67.534
tors. eta vs tors. theta energy: -81.042
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: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -964.843384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.843384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.843384 (E_RNA)
where:
Base-Base interactions energy: -542.724
where: short stacking energy: -272.722
Base-Backbone interact. energy: 1.963
local terms energy: -424.082568
where:
bonds (distance) C4'-P energy: -99.830
bonds (distance) P-C4' energy: -109.925
flat angles C4'-P-C4' energy: -102.006
flat angles P-C4'-P energy: -79.194
tors. eta vs tors. theta energy: -33.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -810.132135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.132135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.132135 (E_RNA)
where:
Base-Base interactions energy: -426.440
where: short stacking energy: -231.476
Base-Backbone interact. energy: -1.363
local terms energy: -382.328789
where:
bonds (distance) C4'-P energy: -106.312
bonds (distance) P-C4' energy: -111.940
flat angles C4'-P-C4' energy: -103.520
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -614.691475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.691475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.691475 (E_RNA)
where:
Base-Base interactions energy: -290.556
where: short stacking energy: -191.312
Base-Backbone interact. energy: -1.765
local terms energy: -322.370181
where:
bonds (distance) C4'-P energy: -98.139
bonds (distance) P-C4' energy: -98.600
flat angles C4'-P-C4' energy: -97.076
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: 11.748
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: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2217.556384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.556384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.556384 (E_RNA)
where:
Base-Base interactions energy: -1495.848
where: short stacking energy: -670.460
Base-Backbone interact. energy: -1.948
local terms energy: -719.760699
where:
bonds (distance) C4'-P energy: -140.696
bonds (distance) P-C4' energy: -108.577
flat angles C4'-P-C4' energy: -159.753
flat angles P-C4'-P energy: -103.281
tors. eta vs tors. theta energy: -207.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2121.526992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.526992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.526992 (E_RNA)
where:
Base-Base interactions energy: -1457.915
where: short stacking energy: -612.843
Base-Backbone interact. energy: -2.858
local terms energy: -660.754243
where:
bonds (distance) C4'-P energy: -124.357
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -143.393
flat angles P-C4'-P energy: -82.782
tors. eta vs tors. theta energy: -180.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2011.436903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.436903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.436903 (E_RNA)
where:
Base-Base interactions energy: -1352.958
where: short stacking energy: -584.896
Base-Backbone interact. energy: -4.288
local terms energy: -654.190579
where:
bonds (distance) C4'-P energy: -129.288
bonds (distance) P-C4' energy: -117.887
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -93.851
tors. eta vs tors. theta energy: -174.906
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: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1950.379081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.379081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.379081 (E_RNA)
where:
Base-Base interactions energy: -1353.730
where: short stacking energy: -535.163
Base-Backbone interact. energy: -1.276
local terms energy: -595.372117
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -111.457
flat angles C4'-P-C4' energy: -136.328
flat angles P-C4'-P energy: -102.239
tors. eta vs tors. theta energy: -134.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1738.375969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.375969 (E_RNA)
where:
Base-Base interactions energy: -1161.243
where: short stacking energy: -503.079
Base-Backbone interact. energy: -0.664
local terms energy: -576.468596
where:
bonds (distance) C4'-P energy: -116.430
bonds (distance) P-C4' energy: -109.660
flat angles C4'-P-C4' energy: -118.596
flat angles P-C4'-P energy: -96.927
tors. eta vs tors. theta energy: -134.855
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: 382
Temperature: 1.150000
Total energy: -1517.568709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.568709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.568709 (E_RNA)
where:
Base-Base interactions energy: -975.255
where: short stacking energy: -466.669
Base-Backbone interact. energy: 1.086
local terms energy: -543.399889
where:
bonds (distance) C4'-P energy: -127.769
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -123.520
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -115.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1253.270350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.270350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.270350 (E_RNA)
where:
Base-Base interactions energy: -802.677
where: short stacking energy: -369.847
Base-Backbone interact. energy: -1.958
local terms energy: -448.635370
where:
bonds (distance) C4'-P energy: -108.256
bonds (distance) P-C4' energy: -90.784
flat angles C4'-P-C4' energy: -107.212
flat angles P-C4'-P energy: -61.356
tors. eta vs tors. theta energy: -81.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -976.800363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.800363 (E_RNA)
where:
Base-Base interactions energy: -553.616
where: short stacking energy: -277.362
Base-Backbone interact. energy: -2.158
local terms energy: -421.026783
where:
bonds (distance) C4'-P energy: -111.407
bonds (distance) P-C4' energy: -122.443
flat angles C4'-P-C4' energy: -109.053
flat angles P-C4'-P energy: -52.035
tors. eta vs tors. theta energy: -26.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -762.629227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.629227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.629227 (E_RNA)
where:
Base-Base interactions energy: -409.092
where: short stacking energy: -218.169
Base-Backbone interact. energy: 1.730
local terms energy: -355.267486
where:
bonds (distance) C4'-P energy: -94.991
bonds (distance) P-C4' energy: -102.192
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -54.094
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -605.466219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.466219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.466219 (E_RNA)
where:
Base-Base interactions energy: -280.223
where: short stacking energy: -197.427
Base-Backbone interact. energy: -1.746
local terms energy: -323.497252
where:
bonds (distance) C4'-P energy: -86.628
bonds (distance) P-C4' energy: -90.754
flat angles C4'-P-C4' energy: -94.773
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: 5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2228.287349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.287349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.287349 (E_RNA)
where:
Base-Base interactions energy: -1485.541
where: short stacking energy: -675.772
Base-Backbone interact. energy: -2.820
local terms energy: -739.926410
where:
bonds (distance) C4'-P energy: -131.506
bonds (distance) P-C4' energy: -139.187
flat angles C4'-P-C4' energy: -151.004
flat angles P-C4'-P energy: -115.122
tors. eta vs tors. theta energy: -203.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2090.983369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.983369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.983369 (E_RNA)
where:
Base-Base interactions energy: -1474.639
where: short stacking energy: -595.549
Base-Backbone interact. energy: -3.130
local terms energy: -613.214650
where:
bonds (distance) C4'-P energy: -114.195
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -142.642
flat angles P-C4'-P energy: -81.465
tors. eta vs tors. theta energy: -166.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2013.513748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.513748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.513748 (E_RNA)
where:
Base-Base interactions energy: -1373.751
where: short stacking energy: -587.459
Base-Backbone interact. energy: -2.578
local terms energy: -637.185326
where:
bonds (distance) C4'-P energy: -122.560
bonds (distance) P-C4' energy: -119.165
flat angles C4'-P-C4' energy: -140.402
flat angles P-C4'-P energy: -92.445
tors. eta vs tors. theta energy: -162.613
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: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1981.839033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.839033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.839033 (E_RNA)
where:
Base-Base interactions energy: -1394.506
where: short stacking energy: -575.376
Base-Backbone interact. energy: 3.676
local terms energy: -591.009037
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -124.316
flat angles C4'-P-C4' energy: -127.722
flat angles P-C4'-P energy: -86.812
tors. eta vs tors. theta energy: -144.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1799.103397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.103397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.103397 (E_RNA)
where:
Base-Base interactions energy: -1209.523
where: short stacking energy: -488.603
Base-Backbone interact. energy: -4.290
local terms energy: -585.289523
where:
bonds (distance) C4'-P energy: -123.745
bonds (distance) P-C4' energy: -132.523
flat angles C4'-P-C4' energy: -125.519
flat angles P-C4'-P energy: -63.208
tors. eta vs tors. theta energy: -140.295
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: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1532.469159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.469159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.469159 (E_RNA)
where:
Base-Base interactions energy: -1006.014
where: short stacking energy: -482.602
Base-Backbone interact. energy: 1.093
local terms energy: -527.548018
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -103.607
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -78.452
tors. eta vs tors. theta energy: -119.499
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: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1208.777855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.777855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.777855 (E_RNA)
where:
Base-Base interactions energy: -740.347
where: short stacking energy: -358.092
Base-Backbone interact. energy: -4.260
local terms energy: -464.170718
where:
bonds (distance) C4'-P energy: -109.510
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -98.453
flat angles P-C4'-P energy: -78.642
tors. eta vs tors. theta energy: -74.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -933.385057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.385057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.385057 (E_RNA)
where:
Base-Base interactions energy: -512.582
where: short stacking energy: -286.965
Base-Backbone interact. energy: -3.935
local terms energy: -416.868270
where:
bonds (distance) C4'-P energy: -96.150
bonds (distance) P-C4' energy: -123.683
flat angles C4'-P-C4' energy: -94.576
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -39.673
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: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -822.030622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.030622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.030622 (E_RNA)
where:
Base-Base interactions energy: -443.635
where: short stacking energy: -236.479
Base-Backbone interact. energy: 1.019
local terms energy: -379.414434
where:
bonds (distance) C4'-P energy: -88.366
bonds (distance) P-C4' energy: -108.911
flat angles C4'-P-C4' energy: -104.524
flat angles P-C4'-P energy: -57.836
tors. eta vs tors. theta energy: -19.778
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: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -665.993151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.993151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.993151 (E_RNA)
where:
Base-Base interactions energy: -321.596
where: short stacking energy: -214.900
Base-Backbone interact. energy: 0.064
local terms energy: -344.461464
where:
bonds (distance) C4'-P energy: -92.427
bonds (distance) P-C4' energy: -114.432
flat angles C4'-P-C4' energy: -85.234
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2206.499022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.499022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.499022 (E_RNA)
where:
Base-Base interactions energy: -1492.347
where: short stacking energy: -667.821
Base-Backbone interact. energy: -2.809
local terms energy: -711.342711
where:
bonds (distance) C4'-P energy: -125.116
bonds (distance) P-C4' energy: -122.232
flat angles C4'-P-C4' energy: -157.430
flat angles P-C4'-P energy: -93.758
tors. eta vs tors. theta energy: -212.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2073.961099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.961099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.961099 (E_RNA)
where:
Base-Base interactions energy: -1447.094
where: short stacking energy: -630.046
Base-Backbone interact. energy: -4.910
local terms energy: -621.957477
where:
bonds (distance) C4'-P energy: -105.879
bonds (distance) P-C4' energy: -123.679
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -174.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1993.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.297787 (E_RNA)
where:
Base-Base interactions energy: -1377.820
where: short stacking energy: -590.798
Base-Backbone interact. energy: -1.909
local terms energy: -613.569151
where:
bonds (distance) C4'-P energy: -106.942
bonds (distance) P-C4' energy: -119.766
flat angles C4'-P-C4' energy: -139.361
flat angles P-C4'-P energy: -80.750
tors. eta vs tors. theta energy: -166.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1938.184181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.184181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.184181 (E_RNA)
where:
Base-Base interactions energy: -1338.006
where: short stacking energy: -557.936
Base-Backbone interact. energy: 0.446
local terms energy: -600.624522
where:
bonds (distance) C4'-P energy: -112.686
bonds (distance) P-C4' energy: -116.279
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -89.804
tors. eta vs tors. theta energy: -145.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1763.158514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.158514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.158514 (E_RNA)
where:
Base-Base interactions energy: -1181.548
where: short stacking energy: -502.039
Base-Backbone interact. energy: -7.231
local terms energy: -574.379959
where:
bonds (distance) C4'-P energy: -100.077
bonds (distance) P-C4' energy: -116.303
flat angles C4'-P-C4' energy: -138.061
flat angles P-C4'-P energy: -74.590
tors. eta vs tors. theta energy: -145.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1540.111437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.111437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.111437 (E_RNA)
where:
Base-Base interactions energy: -975.761
where: short stacking energy: -457.698
Base-Backbone interact. energy: -1.939
local terms energy: -562.411001
where:
bonds (distance) C4'-P energy: -116.834
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -120.087
flat angles P-C4'-P energy: -82.627
tors. eta vs tors. theta energy: -123.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1204.050751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.050751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.050751 (E_RNA)
where:
Base-Base interactions energy: -728.363
where: short stacking energy: -338.501
Base-Backbone interact. energy: -4.817
local terms energy: -470.870676
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -117.487
flat angles C4'-P-C4' energy: -109.015
flat angles P-C4'-P energy: -62.410
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: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -935.283154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.283154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.283154 (E_RNA)
where:
Base-Base interactions energy: -568.780
where: short stacking energy: -304.427
Base-Backbone interact. energy: -0.272
local terms energy: -366.231925
where:
bonds (distance) C4'-P energy: -85.342
bonds (distance) P-C4' energy: -97.085
flat angles C4'-P-C4' energy: -109.737
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -24.708
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: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -813.590893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.590893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.590893 (E_RNA)
where:
Base-Base interactions energy: -432.558
where: short stacking energy: -229.382
Base-Backbone interact. energy: -3.164
local terms energy: -377.868944
where:
bonds (distance) C4'-P energy: -112.259
bonds (distance) P-C4' energy: -110.795
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -76.415
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -691.931661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.931661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.931661 (E_RNA)
where:
Base-Base interactions energy: -316.483
where: short stacking energy: -198.923
Base-Backbone interact. energy: -0.653
local terms energy: -374.795462
where:
bonds (distance) C4'-P energy: -124.924
bonds (distance) P-C4' energy: -122.132
flat angles C4'-P-C4' energy: -97.364
flat angles P-C4'-P energy: -30.259
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2211.765333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.765333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.765333 (E_RNA)
where:
Base-Base interactions energy: -1500.053
where: short stacking energy: -675.068
Base-Backbone interact. energy: -0.418
local terms energy: -711.294327
where:
bonds (distance) C4'-P energy: -120.643
bonds (distance) P-C4' energy: -132.609
flat angles C4'-P-C4' energy: -148.438
flat angles P-C4'-P energy: -102.067
tors. eta vs tors. theta energy: -207.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2038.884022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.884022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.884022 (E_RNA)
where:
Base-Base interactions energy: -1401.614
where: short stacking energy: -593.564
Base-Backbone interact. energy: -6.192
local terms energy: -631.077876
where:
bonds (distance) C4'-P energy: -110.211
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -144.844
flat angles P-C4'-P energy: -100.820
tors. eta vs tors. theta energy: -158.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1978.182081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.182081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.182081 (E_RNA)
where:
Base-Base interactions energy: -1369.670
where: short stacking energy: -583.046
Base-Backbone interact. energy: -1.491
local terms energy: -607.020718
where:
bonds (distance) C4'-P energy: -101.552
bonds (distance) P-C4' energy: -113.804
flat angles C4'-P-C4' energy: -128.789
flat angles P-C4'-P energy: -86.168
tors. eta vs tors. theta energy: -176.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1912.889825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.889825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.889825 (E_RNA)
where:
Base-Base interactions energy: -1322.546
where: short stacking energy: -536.454
Base-Backbone interact. energy: -3.806
local terms energy: -586.537706
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -121.959
flat angles C4'-P-C4' energy: -137.520
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -129.520
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: 385
Temperature: 1.100000
Total energy: -1751.632192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.632192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.632192 (E_RNA)
where:
Base-Base interactions energy: -1196.143
where: short stacking energy: -525.388
Base-Backbone interact. energy: 1.919
local terms energy: -557.408542
where:
bonds (distance) C4'-P energy: -103.003
bonds (distance) P-C4' energy: -106.624
flat angles C4'-P-C4' energy: -118.596
flat angles P-C4'-P energy: -78.854
tors. eta vs tors. theta energy: -150.331
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1522.341872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.341872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.341872 (E_RNA)
where:
Base-Base interactions energy: -985.991
where: short stacking energy: -473.852
Base-Backbone interact. energy: -4.351
local terms energy: -532.000252
where:
bonds (distance) C4'-P energy: -103.491
bonds (distance) P-C4' energy: -116.479
flat angles C4'-P-C4' energy: -117.055
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: -129.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1198.717136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.717136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.717136 (E_RNA)
where:
Base-Base interactions energy: -735.069
where: short stacking energy: -343.642
Base-Backbone interact. energy: 0.240
local terms energy: -463.887756
where:
bonds (distance) C4'-P energy: -113.354
bonds (distance) P-C4' energy: -94.305
flat angles C4'-P-C4' energy: -116.313
flat angles P-C4'-P energy: -81.059
tors. eta vs tors. theta energy: -58.856
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: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -959.743804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.743804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.743804 (E_RNA)
where:
Base-Base interactions energy: -562.650
where: short stacking energy: -301.165
Base-Backbone interact. energy: 0.472
local terms energy: -397.566205
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -87.028
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -45.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -899.117677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.117677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.117677 (E_RNA)
where:
Base-Base interactions energy: -509.883
where: short stacking energy: -267.176
Base-Backbone interact. energy: 0.188
local terms energy: -389.422907
where:
bonds (distance) C4'-P energy: -107.354
bonds (distance) P-C4' energy: -102.624
flat angles C4'-P-C4' energy: -104.430
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -30.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -658.492814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.492814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.492814 (E_RNA)
where:
Base-Base interactions energy: -299.252
where: short stacking energy: -193.437
Base-Backbone interact. energy: 0.346
local terms energy: -359.585970
where:
bonds (distance) C4'-P energy: -105.233
bonds (distance) P-C4' energy: -110.381
flat angles C4'-P-C4' energy: -89.555
flat angles P-C4'-P energy: -63.429
tors. eta vs tors. theta energy: 9.012
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: 8
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2227.815525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.815525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.815525 (E_RNA)
where:
Base-Base interactions energy: -1515.481
where: short stacking energy: -670.116
Base-Backbone interact. energy: -2.050
local terms energy: -710.284613
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -128.893
flat angles C4'-P-C4' energy: -147.873
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -207.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2053.677448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.677448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.677448 (E_RNA)
where:
Base-Base interactions energy: -1412.767
where: short stacking energy: -608.520
Base-Backbone interact. energy: -1.483
local terms energy: -639.426995
where:
bonds (distance) C4'-P energy: -119.993
bonds (distance) P-C4' energy: -105.140
flat angles C4'-P-C4' energy: -141.038
flat angles P-C4'-P energy: -95.473
tors. eta vs tors. theta energy: -177.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2001.233182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.233182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.233182 (E_RNA)
where:
Base-Base interactions energy: -1357.055
where: short stacking energy: -600.815
Base-Backbone interact. energy: -3.220
local terms energy: -640.958345
where:
bonds (distance) C4'-P energy: -114.881
bonds (distance) P-C4' energy: -115.373
flat angles C4'-P-C4' energy: -140.652
flat angles P-C4'-P energy: -87.871
tors. eta vs tors. theta energy: -182.182
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: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1921.438733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.438733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.438733 (E_RNA)
where:
Base-Base interactions energy: -1341.817
where: short stacking energy: -574.277
Base-Backbone interact. energy: -3.173
local terms energy: -576.448403
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -129.217
flat angles C4'-P-C4' energy: -124.577
flat angles P-C4'-P energy: -78.518
tors. eta vs tors. theta energy: -144.988
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: 386
Temperature: 1.100000
Total energy: -1711.704259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.704259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.704259 (E_RNA)
where:
Base-Base interactions energy: -1133.938
where: short stacking energy: -487.984
Base-Backbone interact. energy: -1.430
local terms energy: -576.336694
where:
bonds (distance) C4'-P energy: -111.813
bonds (distance) P-C4' energy: -117.557
flat angles C4'-P-C4' energy: -110.200
flat angles P-C4'-P energy: -81.621
tors. eta vs tors. theta energy: -155.146
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: 386
Temperature: 1.150000
Total energy: -1527.711143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.711143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.711143 (E_RNA)
where:
Base-Base interactions energy: -983.473
where: short stacking energy: -445.668
Base-Backbone interact. energy: -4.020
local terms energy: -540.218300
where:
bonds (distance) C4'-P energy: -95.106
bonds (distance) P-C4' energy: -113.112
flat angles C4'-P-C4' energy: -125.415
flat angles P-C4'-P energy: -91.691
tors. eta vs tors. theta energy: -114.895
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1205.914468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.914468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.914468 (E_RNA)
where:
Base-Base interactions energy: -733.782
where: short stacking energy: -358.966
Base-Backbone interact. energy: -1.551
local terms energy: -470.581535
where:
bonds (distance) C4'-P energy: -89.188
bonds (distance) P-C4' energy: -126.460
flat angles C4'-P-C4' energy: -106.249
flat angles P-C4'-P energy: -77.096
tors. eta vs tors. theta energy: -71.589
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: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -965.943036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.943036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.943036 (E_RNA)
where:
Base-Base interactions energy: -581.698
where: short stacking energy: -287.994
Base-Backbone interact. energy: -3.144
local terms energy: -381.101385
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -96.455
flat angles C4'-P-C4' energy: -102.478
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -22.685
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -931.459989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.459989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.459989 (E_RNA)
where:
Base-Base interactions energy: -543.259
where: short stacking energy: -236.931
Base-Backbone interact. energy: 2.157
local terms energy: -390.357861
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -107.071
flat angles C4'-P-C4' energy: -109.024
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -614.300915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.300915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.300915 (E_RNA)
where:
Base-Base interactions energy: -283.623
where: short stacking energy: -168.498
Base-Backbone interact. energy: -1.728
local terms energy: -328.949825
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -116.872
flat angles C4'-P-C4' energy: -84.317
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: 7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2174.247158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.247158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.247158 (E_RNA)
where:
Base-Base interactions energy: -1460.937
where: short stacking energy: -660.695
Base-Backbone interact. energy: -0.811
local terms energy: -712.498988
where:
bonds (distance) C4'-P energy: -127.808
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -149.801
flat angles P-C4'-P energy: -107.317
tors. eta vs tors. theta energy: -206.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2067.078719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.078719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.078719 (E_RNA)
where:
Base-Base interactions energy: -1455.724
where: short stacking energy: -612.882
Base-Backbone interact. energy: 0.298
local terms energy: -611.653350
where:
bonds (distance) C4'-P energy: -122.059
bonds (distance) P-C4' energy: -98.771
flat angles C4'-P-C4' energy: -129.547
flat angles P-C4'-P energy: -81.288
tors. eta vs tors. theta energy: -179.988
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: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2005.465138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.465138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.465138 (E_RNA)
where:
Base-Base interactions energy: -1369.639
where: short stacking energy: -563.064
Base-Backbone interact. energy: -3.625
local terms energy: -632.201160
where:
bonds (distance) C4'-P energy: -121.787
bonds (distance) P-C4' energy: -111.848
flat angles C4'-P-C4' energy: -135.883
flat angles P-C4'-P energy: -100.569
tors. eta vs tors. theta energy: -162.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1813.132362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.132362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.132362 (E_RNA)
where:
Base-Base interactions energy: -1209.934
where: short stacking energy: -520.040
Base-Backbone interact. energy: -4.036
local terms energy: -599.162233
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -119.885
flat angles C4'-P-C4' energy: -133.391
flat angles P-C4'-P energy: -84.483
tors. eta vs tors. theta energy: -152.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1847.341210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.341210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.341210 (E_RNA)
where:
Base-Base interactions energy: -1319.853
where: short stacking energy: -526.974
Base-Backbone interact. energy: -1.131
local terms energy: -526.358087
where:
bonds (distance) C4'-P energy: -97.783
bonds (distance) P-C4' energy: -92.040
flat angles C4'-P-C4' energy: -132.522
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -133.432
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: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1484.592083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.592083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.592083 (E_RNA)
where:
Base-Base interactions energy: -952.044
where: short stacking energy: -478.407
Base-Backbone interact. energy: -1.991
local terms energy: -530.556450
where:
bonds (distance) C4'-P energy: -107.695
bonds (distance) P-C4' energy: -119.381
flat angles C4'-P-C4' energy: -131.460
flat angles P-C4'-P energy: -54.496
tors. eta vs tors. theta energy: -117.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1262.257970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.257970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.257970 (E_RNA)
where:
Base-Base interactions energy: -788.140
where: short stacking energy: -391.720
Base-Backbone interact. energy: 0.390
local terms energy: -474.507922
where:
bonds (distance) C4'-P energy: -116.992
bonds (distance) P-C4' energy: -110.220
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -70.789
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1023.820181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.820181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.820181 (E_RNA)
where:
Base-Base interactions energy: -584.020
where: short stacking energy: -265.866
Base-Backbone interact. energy: -1.125
local terms energy: -438.675188
where:
bonds (distance) C4'-P energy: -110.737
bonds (distance) P-C4' energy: -103.646
flat angles C4'-P-C4' energy: -117.502
flat angles P-C4'-P energy: -68.298
tors. eta vs tors. theta energy: -38.492
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: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -900.319990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.319990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.319990 (E_RNA)
where:
Base-Base interactions energy: -540.297
where: short stacking energy: -271.560
Base-Backbone interact. energy: 1.794
local terms energy: -361.816985
where:
bonds (distance) C4'-P energy: -96.991
bonds (distance) P-C4' energy: -109.922
flat angles C4'-P-C4' energy: -82.958
flat angles P-C4'-P energy: -43.238
tors. eta vs tors. theta energy: -28.708
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: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -577.755448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.755448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.755448 (E_RNA)
where:
Base-Base interactions energy: -254.908
where: short stacking energy: -170.337
Base-Backbone interact. energy: -3.744
local terms energy: -319.103025
where:
bonds (distance) C4'-P energy: -101.034
bonds (distance) P-C4' energy: -112.409
flat angles C4'-P-C4' energy: -93.937
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: 32.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2219.030466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.030466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.030466 (E_RNA)
where:
Base-Base interactions energy: -1499.553
where: short stacking energy: -688.827
Base-Backbone interact. energy: -3.561
local terms energy: -715.916381
where:
bonds (distance) C4'-P energy: -134.277
bonds (distance) P-C4' energy: -119.872
flat angles C4'-P-C4' energy: -151.399
flat angles P-C4'-P energy: -103.336
tors. eta vs tors. theta energy: -207.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2112.017352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.017352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.017352 (E_RNA)
where:
Base-Base interactions energy: -1447.195
where: short stacking energy: -618.129
Base-Backbone interact. energy: -6.188
local terms energy: -658.634499
where:
bonds (distance) C4'-P energy: -110.999
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -129.961
flat angles P-C4'-P energy: -102.596
tors. eta vs tors. theta energy: -180.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1992.725308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.725308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.725308 (E_RNA)
where:
Base-Base interactions energy: -1366.249
where: short stacking energy: -577.986
Base-Backbone interact. energy: -3.949
local terms energy: -622.527730
where:
bonds (distance) C4'-P energy: -106.758
bonds (distance) P-C4' energy: -128.521
flat angles C4'-P-C4' energy: -138.630
flat angles P-C4'-P energy: -83.418
tors. eta vs tors. theta energy: -165.201
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: 388
Temperature: 1.050000
Total energy: -1817.684030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.684030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.684030 (E_RNA)
where:
Base-Base interactions energy: -1222.773
where: short stacking energy: -527.181
Base-Backbone interact. energy: 2.238
local terms energy: -597.149289
where:
bonds (distance) C4'-P energy: -112.112
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -120.852
flat angles P-C4'-P energy: -72.256
tors. eta vs tors. theta energy: -161.716
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: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1838.726725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.726725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.726725 (E_RNA)
where:
Base-Base interactions energy: -1255.297
where: short stacking energy: -534.355
Base-Backbone interact. energy: -1.768
local terms energy: -581.661247
where:
bonds (distance) C4'-P energy: -123.143
bonds (distance) P-C4' energy: -128.236
flat angles C4'-P-C4' energy: -130.779
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -131.925
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: 388
Temperature: 1.150000
Total energy: -1544.740256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.740256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.740256 (E_RNA)
where:
Base-Base interactions energy: -975.941
where: short stacking energy: -447.548
Base-Backbone interact. energy: 0.957
local terms energy: -569.755922
where:
bonds (distance) C4'-P energy: -116.233
bonds (distance) P-C4' energy: -113.722
flat angles C4'-P-C4' energy: -115.020
flat angles P-C4'-P energy: -84.284
tors. eta vs tors. theta energy: -140.498
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: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1306.690227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.690227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.690227 (E_RNA)
where:
Base-Base interactions energy: -845.642
where: short stacking energy: -385.753
Base-Backbone interact. energy: 3.284
local terms energy: -464.331766
where:
bonds (distance) C4'-P energy: -92.868
bonds (distance) P-C4' energy: -115.678
flat angles C4'-P-C4' energy: -100.864
flat angles P-C4'-P energy: -71.712
tors. eta vs tors. theta energy: -83.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -952.570692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.570692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.570692 (E_RNA)
where:
Base-Base interactions energy: -566.744
where: short stacking energy: -298.475
Base-Backbone interact. energy: -1.222
local terms energy: -384.604562
where:
bonds (distance) C4'-P energy: -89.702
bonds (distance) P-C4' energy: -102.701
flat angles C4'-P-C4' energy: -90.454
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -46.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -941.756042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.756042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.756042 (E_RNA)
where:
Base-Base interactions energy: -556.177
where: short stacking energy: -263.489
Base-Backbone interact. energy: -1.543
local terms energy: -384.035734
where:
bonds (distance) C4'-P energy: -100.870
bonds (distance) P-C4' energy: -94.884
flat angles C4'-P-C4' energy: -90.597
flat angles P-C4'-P energy: -57.383
tors. eta vs tors. theta energy: -40.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -613.590706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.590706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.590706 (E_RNA)
where:
Base-Base interactions energy: -297.223
where: short stacking energy: -184.746
Base-Backbone interact. energy: 0.904
local terms energy: -317.271098
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -107.088
flat angles C4'-P-C4' energy: -83.043
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: 6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2198.650211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.650211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.650211 (E_RNA)
where:
Base-Base interactions energy: -1486.706
where: short stacking energy: -676.031
Base-Backbone interact. energy: 0.051
local terms energy: -711.994813
where:
bonds (distance) C4'-P energy: -112.871
bonds (distance) P-C4' energy: -140.389
flat angles C4'-P-C4' energy: -151.978
flat angles P-C4'-P energy: -99.960
tors. eta vs tors. theta energy: -206.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2079.153665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.153665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.153665 (E_RNA)
where:
Base-Base interactions energy: -1439.520
where: short stacking energy: -605.091
Base-Backbone interact. energy: 1.348
local terms energy: -640.981758
where:
bonds (distance) C4'-P energy: -122.738
bonds (distance) P-C4' energy: -119.323
flat angles C4'-P-C4' energy: -151.730
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -171.192
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: 389
Temperature: 1.000000
Total energy: -1966.171077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.171077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.171077 (E_RNA)
where:
Base-Base interactions energy: -1344.477
where: short stacking energy: -573.511
Base-Backbone interact. energy: -4.741
local terms energy: -616.952620
where:
bonds (distance) C4'-P energy: -120.099
bonds (distance) P-C4' energy: -112.026
flat angles C4'-P-C4' energy: -138.592
flat angles P-C4'-P energy: -88.226
tors. eta vs tors. theta energy: -158.010
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1928.543507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.543507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.543507 (E_RNA)
where:
Base-Base interactions energy: -1316.707
where: short stacking energy: -564.784
Base-Backbone interact. energy: -1.811
local terms energy: -610.026404
where:
bonds (distance) C4'-P energy: -102.663
bonds (distance) P-C4' energy: -117.010
flat angles C4'-P-C4' energy: -132.858
flat angles P-C4'-P energy: -84.231
tors. eta vs tors. theta energy: -173.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1841.739213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.739213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.739213 (E_RNA)
where:
Base-Base interactions energy: -1284.717
where: short stacking energy: -507.047
Base-Backbone interact. energy: 2.165
local terms energy: -559.187907
where:
bonds (distance) C4'-P energy: -119.071
bonds (distance) P-C4' energy: -114.402
flat angles C4'-P-C4' energy: -115.084
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -126.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1589.947513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.947513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.947513 (E_RNA)
where:
Base-Base interactions energy: -1009.788
where: short stacking energy: -472.632
Base-Backbone interact. energy: -2.351
local terms energy: -577.808426
where:
bonds (distance) C4'-P energy: -116.068
bonds (distance) P-C4' energy: -105.979
flat angles C4'-P-C4' energy: -138.017
flat angles P-C4'-P energy: -84.109
tors. eta vs tors. theta energy: -133.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1358.837773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.837773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.837773 (E_RNA)
where:
Base-Base interactions energy: -859.040
where: short stacking energy: -403.932
Base-Backbone interact. energy: -4.144
local terms energy: -495.653441
where:
bonds (distance) C4'-P energy: -113.089
bonds (distance) P-C4' energy: -112.692
flat angles C4'-P-C4' energy: -105.698
flat angles P-C4'-P energy: -69.586
tors. eta vs tors. theta energy: -94.589
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: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1025.515977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.515977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.515977 (E_RNA)
where:
Base-Base interactions energy: -580.238
where: short stacking energy: -299.158
Base-Backbone interact. energy: -4.326
local terms energy: -440.952146
where:
bonds (distance) C4'-P energy: -100.158
bonds (distance) P-C4' energy: -114.817
flat angles C4'-P-C4' energy: -96.849
flat angles P-C4'-P energy: -79.404
tors. eta vs tors. theta energy: -49.724
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: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -900.411095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.411095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.411095 (E_RNA)
where:
Base-Base interactions energy: -504.297
where: short stacking energy: -235.477
Base-Backbone interact. energy: 0.736
local terms energy: -396.850854
where:
bonds (distance) C4'-P energy: -100.557
bonds (distance) P-C4' energy: -113.205
flat angles C4'-P-C4' energy: -97.626
flat angles P-C4'-P energy: -65.830
tors. eta vs tors. theta energy: -19.633
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: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -624.109357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.109357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.109357 (E_RNA)
where:
Base-Base interactions energy: -281.117
where: short stacking energy: -177.596
Base-Backbone interact. energy: 6.200
local terms energy: -349.191870
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -85.056
flat angles C4'-P-C4' energy: -107.574
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2218.272645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.272645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.272645 (E_RNA)
where:
Base-Base interactions energy: -1481.470
where: short stacking energy: -660.711
Base-Backbone interact. energy: 0.089
local terms energy: -736.891699
where:
bonds (distance) C4'-P energy: -127.196
bonds (distance) P-C4' energy: -138.864
flat angles C4'-P-C4' energy: -152.777
flat angles P-C4'-P energy: -102.679
tors. eta vs tors. theta energy: -215.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2083.820435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.820435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.820435 (E_RNA)
where:
Base-Base interactions energy: -1429.495
where: short stacking energy: -619.939
Base-Backbone interact. energy: -3.162
local terms energy: -651.162946
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -138.888
flat angles P-C4'-P energy: -99.808
tors. eta vs tors. theta energy: -163.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1967.264922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.264922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.264922 (E_RNA)
where:
Base-Base interactions energy: -1371.594
where: short stacking energy: -592.084
Base-Backbone interact. energy: -3.053
local terms energy: -592.617201
where:
bonds (distance) C4'-P energy: -89.241
bonds (distance) P-C4' energy: -100.843
flat angles C4'-P-C4' energy: -144.453
flat angles P-C4'-P energy: -85.286
tors. eta vs tors. theta energy: -172.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1956.617530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.617530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.617530 (E_RNA)
where:
Base-Base interactions energy: -1337.126
where: short stacking energy: -574.987
Base-Backbone interact. energy: -2.301
local terms energy: -617.190853
where:
bonds (distance) C4'-P energy: -108.297
bonds (distance) P-C4' energy: -119.622
flat angles C4'-P-C4' energy: -138.949
flat angles P-C4'-P energy: -81.834
tors. eta vs tors. theta energy: -168.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1825.774761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.774761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.774761 (E_RNA)
where:
Base-Base interactions energy: -1263.727
where: short stacking energy: -544.129
Base-Backbone interact. energy: -2.447
local terms energy: -559.600092
where:
bonds (distance) C4'-P energy: -103.126
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -114.747
flat angles P-C4'-P energy: -68.627
tors. eta vs tors. theta energy: -149.819
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1515.822331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.822331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.822331 (E_RNA)
where:
Base-Base interactions energy: -996.413
where: short stacking energy: -449.710
Base-Backbone interact. energy: -3.513
local terms energy: -515.895662
where:
bonds (distance) C4'-P energy: -91.991
bonds (distance) P-C4' energy: -109.205
flat angles C4'-P-C4' energy: -122.227
flat angles P-C4'-P energy: -72.227
tors. eta vs tors. theta energy: -120.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1363.898599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.898599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.898599 (E_RNA)
where:
Base-Base interactions energy: -896.929
where: short stacking energy: -418.408
Base-Backbone interact. energy: -0.000
local terms energy: -466.969309
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -101.124
flat angles C4'-P-C4' energy: -107.294
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -101.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1007.922437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.922437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.922437 (E_RNA)
where:
Base-Base interactions energy: -617.641
where: short stacking energy: -290.702
Base-Backbone interact. energy: -0.187
local terms energy: -390.093667
where:
bonds (distance) C4'-P energy: -106.740
bonds (distance) P-C4' energy: -107.259
flat angles C4'-P-C4' energy: -96.866
flat angles P-C4'-P energy: -57.865
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -969.852744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.852744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.852744 (E_RNA)
where:
Base-Base interactions energy: -562.400
where: short stacking energy: -274.133
Base-Backbone interact. energy: -1.511
local terms energy: -405.942179
where:
bonds (distance) C4'-P energy: -87.464
bonds (distance) P-C4' energy: -116.421
flat angles C4'-P-C4' energy: -105.692
flat angles P-C4'-P energy: -58.963
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: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -568.306397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.306397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.306397 (E_RNA)
where:
Base-Base interactions energy: -216.101
where: short stacking energy: -138.013
Base-Backbone interact. energy: -1.422
local terms energy: -350.783457
where:
bonds (distance) C4'-P energy: -108.868
bonds (distance) P-C4' energy: -103.618
flat angles C4'-P-C4' energy: -101.758
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: 11.366
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: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2243.139179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.139179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.139179 (E_RNA)
where:
Base-Base interactions energy: -1506.766
where: short stacking energy: -669.541
Base-Backbone interact. energy: -3.425
local terms energy: -732.947570
where:
bonds (distance) C4'-P energy: -126.043
bonds (distance) P-C4' energy: -137.603
flat angles C4'-P-C4' energy: -154.472
flat angles P-C4'-P energy: -105.242
tors. eta vs tors. theta energy: -209.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2055.957872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.957872 (E_RNA)
where:
Base-Base interactions energy: -1417.881
where: short stacking energy: -593.038
Base-Backbone interact. energy: -7.901
local terms energy: -630.175182
where:
bonds (distance) C4'-P energy: -120.206
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -137.819
flat angles P-C4'-P energy: -96.860
tors. eta vs tors. theta energy: -164.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1951.773785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.773785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.773785 (E_RNA)
where:
Base-Base interactions energy: -1330.380
where: short stacking energy: -578.824
Base-Backbone interact. energy: -2.130
local terms energy: -619.263694
where:
bonds (distance) C4'-P energy: -118.665
bonds (distance) P-C4' energy: -110.274
flat angles C4'-P-C4' energy: -135.803
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -177.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1927.961228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.961228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.961228 (E_RNA)
where:
Base-Base interactions energy: -1317.618
where: short stacking energy: -553.034
Base-Backbone interact. energy: -6.936
local terms energy: -603.407015
where:
bonds (distance) C4'-P energy: -116.148
bonds (distance) P-C4' energy: -116.232
flat angles C4'-P-C4' energy: -117.279
flat angles P-C4'-P energy: -97.167
tors. eta vs tors. theta energy: -156.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1814.489159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.489159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.489159 (E_RNA)
where:
Base-Base interactions energy: -1266.244
where: short stacking energy: -523.876
Base-Backbone interact. energy: -5.299
local terms energy: -542.945908
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -124.852
flat angles C4'-P-C4' energy: -114.342
flat angles P-C4'-P energy: -64.438
tors. eta vs tors. theta energy: -128.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1560.998969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.998969 (E_RNA)
where:
Base-Base interactions energy: -1036.793
where: short stacking energy: -495.521
Base-Backbone interact. energy: 1.024
local terms energy: -525.229761
where:
bonds (distance) C4'-P energy: -110.892
bonds (distance) P-C4' energy: -107.675
flat angles C4'-P-C4' energy: -123.396
flat angles P-C4'-P energy: -57.788
tors. eta vs tors. theta energy: -125.477
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1338.011509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.011509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.011509 (E_RNA)
where:
Base-Base interactions energy: -843.465
where: short stacking energy: -408.123
Base-Backbone interact. energy: -2.702
local terms energy: -491.844334
where:
bonds (distance) C4'-P energy: -94.926
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -124.603
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -97.482
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: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1088.999972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.999972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.999972 (E_RNA)
where:
Base-Base interactions energy: -672.814
where: short stacking energy: -304.711
Base-Backbone interact. energy: 4.803
local terms energy: -420.988608
where:
bonds (distance) C4'-P energy: -97.085
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -93.656
flat angles P-C4'-P energy: -67.068
tors. eta vs tors. theta energy: -50.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -969.293904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.293904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.293904 (E_RNA)
where:
Base-Base interactions energy: -576.361
where: short stacking energy: -280.378
Base-Backbone interact. energy: -1.485
local terms energy: -391.447877
where:
bonds (distance) C4'-P energy: -83.692
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -103.592
flat angles P-C4'-P energy: -56.209
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -550.835925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.835925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.835925 (E_RNA)
where:
Base-Base interactions energy: -262.710
where: short stacking energy: -145.914
Base-Backbone interact. energy: -1.501
local terms energy: -286.624936
where:
bonds (distance) C4'-P energy: -102.102
bonds (distance) P-C4' energy: -92.755
flat angles C4'-P-C4' energy: -65.337
flat angles P-C4'-P energy: -54.298
tors. eta vs tors. theta energy: 27.867
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: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2202.917378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.917378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.917378 (E_RNA)
where:
Base-Base interactions energy: -1517.105
where: short stacking energy: -648.201
Base-Backbone interact. energy: -2.289
local terms energy: -683.523686
where:
bonds (distance) C4'-P energy: -111.714
bonds (distance) P-C4' energy: -136.769
flat angles C4'-P-C4' energy: -147.316
flat angles P-C4'-P energy: -86.028
tors. eta vs tors. theta energy: -201.697
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2106.288863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.288863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.288863 (E_RNA)
where:
Base-Base interactions energy: -1433.426
where: short stacking energy: -591.494
Base-Backbone interact. energy: -4.908
local terms energy: -667.955088
where:
bonds (distance) C4'-P energy: -120.548
bonds (distance) P-C4' energy: -130.924
flat angles C4'-P-C4' energy: -143.281
flat angles P-C4'-P energy: -98.909
tors. eta vs tors. theta energy: -174.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1976.706967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.706967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.706967 (E_RNA)
where:
Base-Base interactions energy: -1346.032
where: short stacking energy: -588.348
Base-Backbone interact. energy: -3.030
local terms energy: -627.645039
where:
bonds (distance) C4'-P energy: -96.886
bonds (distance) P-C4' energy: -119.158
flat angles C4'-P-C4' energy: -140.249
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -164.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1896.919486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.919486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.919486 (E_RNA)
where:
Base-Base interactions energy: -1298.993
where: short stacking energy: -554.470
Base-Backbone interact. energy: -3.072
local terms energy: -594.853969
where:
bonds (distance) C4'-P energy: -105.501
bonds (distance) P-C4' energy: -105.372
flat angles C4'-P-C4' energy: -138.728
flat angles P-C4'-P energy: -81.148
tors. eta vs tors. theta energy: -164.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1822.209663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.209663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.209663 (E_RNA)
where:
Base-Base interactions energy: -1261.957
where: short stacking energy: -493.943
Base-Backbone interact. energy: -3.860
local terms energy: -556.393316
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -123.542
flat angles C4'-P-C4' energy: -136.381
flat angles P-C4'-P energy: -62.730
tors. eta vs tors. theta energy: -122.838
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: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1545.349699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.349699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.349699 (E_RNA)
where:
Base-Base interactions energy: -999.149
where: short stacking energy: -481.777
Base-Backbone interact. energy: -2.700
local terms energy: -543.501225
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -115.418
flat angles C4'-P-C4' energy: -102.237
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -133.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1302.512915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.512915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.512915 (E_RNA)
where:
Base-Base interactions energy: -837.209
where: short stacking energy: -375.247
Base-Backbone interact. energy: 1.977
local terms energy: -467.281532
where:
bonds (distance) C4'-P energy: -113.456
bonds (distance) P-C4' energy: -109.865
flat angles C4'-P-C4' energy: -114.325
flat angles P-C4'-P energy: -69.327
tors. eta vs tors. theta energy: -60.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1103.483309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.483309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.483309 (E_RNA)
where:
Base-Base interactions energy: -673.941
where: short stacking energy: -321.674
Base-Backbone interact. energy: -2.217
local terms energy: -427.325015
where:
bonds (distance) C4'-P energy: -109.558
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -99.801
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -54.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -869.630557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.630557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.630557 (E_RNA)
where:
Base-Base interactions energy: -506.081
where: short stacking energy: -225.961
Base-Backbone interact. energy: -1.511
local terms energy: -362.039040
where:
bonds (distance) C4'-P energy: -79.973
bonds (distance) P-C4' energy: -101.195
flat angles C4'-P-C4' energy: -80.032
flat angles P-C4'-P energy: -71.038
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: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -547.653357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.653357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.653357 (E_RNA)
where:
Base-Base interactions energy: -215.800
where: short stacking energy: -140.891
Base-Backbone interact. energy: -0.960
local terms energy: -330.892630
where:
bonds (distance) C4'-P energy: -111.032
bonds (distance) P-C4' energy: -108.671
flat angles C4'-P-C4' energy: -78.420
flat angles P-C4'-P energy: -58.836
tors. eta vs tors. theta energy: 26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2215.607732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.607732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.607732 (E_RNA)
where:
Base-Base interactions energy: -1504.421
where: short stacking energy: -673.740
Base-Backbone interact. energy: -3.042
local terms energy: -708.144644
where:
bonds (distance) C4'-P energy: -128.385
bonds (distance) P-C4' energy: -141.672
flat angles C4'-P-C4' energy: -141.818
flat angles P-C4'-P energy: -92.337
tors. eta vs tors. theta energy: -203.932
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: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2116.817897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.817897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.817897 (E_RNA)
where:
Base-Base interactions energy: -1490.574
where: short stacking energy: -608.325
Base-Backbone interact. energy: -6.612
local terms energy: -619.632260
where:
bonds (distance) C4'-P energy: -121.598
bonds (distance) P-C4' energy: -115.790
flat angles C4'-P-C4' energy: -132.176
flat angles P-C4'-P energy: -82.453
tors. eta vs tors. theta energy: -167.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2000.606519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.606519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.606519 (E_RNA)
where:
Base-Base interactions energy: -1361.193
where: short stacking energy: -601.129
Base-Backbone interact. energy: -2.584
local terms energy: -636.828767
where:
bonds (distance) C4'-P energy: -121.286
bonds (distance) P-C4' energy: -102.417
flat angles C4'-P-C4' energy: -137.092
flat angles P-C4'-P energy: -96.737
tors. eta vs tors. theta energy: -179.297
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: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1882.143036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.143036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.143036 (E_RNA)
where:
Base-Base interactions energy: -1281.408
where: short stacking energy: -533.131
Base-Backbone interact. energy: -2.831
local terms energy: -597.904822
where:
bonds (distance) C4'-P energy: -101.406
bonds (distance) P-C4' energy: -132.138
flat angles C4'-P-C4' energy: -127.875
flat angles P-C4'-P energy: -78.258
tors. eta vs tors. theta energy: -158.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1831.236841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.236841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.236841 (E_RNA)
where:
Base-Base interactions energy: -1281.792
where: short stacking energy: -534.511
Base-Backbone interact. energy: 3.697
local terms energy: -553.141617
where:
bonds (distance) C4'-P energy: -115.381
bonds (distance) P-C4' energy: -97.372
flat angles C4'-P-C4' energy: -119.408
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -136.703
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: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1548.768942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.768942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.768942 (E_RNA)
where:
Base-Base interactions energy: -1016.504
where: short stacking energy: -453.528
Base-Backbone interact. energy: 0.009
local terms energy: -532.274048
where:
bonds (distance) C4'-P energy: -102.068
bonds (distance) P-C4' energy: -101.596
flat angles C4'-P-C4' energy: -129.111
flat angles P-C4'-P energy: -69.541
tors. eta vs tors. theta energy: -129.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1297.624519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.624519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.624519 (E_RNA)
where:
Base-Base interactions energy: -809.693
where: short stacking energy: -363.473
Base-Backbone interact. energy: -6.594
local terms energy: -481.337632
where:
bonds (distance) C4'-P energy: -112.836
bonds (distance) P-C4' energy: -97.547
flat angles C4'-P-C4' energy: -109.360
flat angles P-C4'-P energy: -75.737
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: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1084.675561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.675561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.675561 (E_RNA)
where:
Base-Base interactions energy: -654.496
where: short stacking energy: -330.123
Base-Backbone interact. energy: 3.051
local terms energy: -433.231059
where:
bonds (distance) C4'-P energy: -85.045
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -99.766
flat angles P-C4'-P energy: -75.985
tors. eta vs tors. theta energy: -60.263
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: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -898.969678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.969678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.969678 (E_RNA)
where:
Base-Base interactions energy: -500.507
where: short stacking energy: -262.469
Base-Backbone interact. energy: 6.979
local terms energy: -405.441466
where:
bonds (distance) C4'-P energy: -114.077
bonds (distance) P-C4' energy: -91.690
flat angles C4'-P-C4' energy: -100.252
flat angles P-C4'-P energy: -72.713
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -496.280121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.280121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.280121 (E_RNA)
where:
Base-Base interactions energy: -208.483
where: short stacking energy: -141.201
Base-Backbone interact. energy: -0.230
local terms energy: -287.567060
where:
bonds (distance) C4'-P energy: -82.559
bonds (distance) P-C4' energy: -104.926
flat angles C4'-P-C4' energy: -80.618
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: 21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2234.796309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.796309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.796309 (E_RNA)
where:
Base-Base interactions energy: -1531.910
where: short stacking energy: -669.581
Base-Backbone interact. energy: -1.899
local terms energy: -700.987736
where:
bonds (distance) C4'-P energy: -129.361
bonds (distance) P-C4' energy: -123.846
flat angles C4'-P-C4' energy: -147.210
flat angles P-C4'-P energy: -98.337
tors. eta vs tors. theta energy: -202.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2072.373947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.373947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.373947 (E_RNA)
where:
Base-Base interactions energy: -1404.822
where: short stacking energy: -596.177
Base-Backbone interact. energy: -5.217
local terms energy: -662.335280
where:
bonds (distance) C4'-P energy: -131.049
bonds (distance) P-C4' energy: -115.099
flat angles C4'-P-C4' energy: -151.652
flat angles P-C4'-P energy: -87.497
tors. eta vs tors. theta energy: -177.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2000.636360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.636360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.636360 (E_RNA)
where:
Base-Base interactions energy: -1398.442
where: short stacking energy: -601.516
Base-Backbone interact. energy: -0.987
local terms energy: -601.207810
where:
bonds (distance) C4'-P energy: -115.226
bonds (distance) P-C4' energy: -107.729
flat angles C4'-P-C4' energy: -125.321
flat angles P-C4'-P energy: -91.587
tors. eta vs tors. theta energy: -161.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1926.891082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.891082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.891082 (E_RNA)
where:
Base-Base interactions energy: -1319.349
where: short stacking energy: -553.858
Base-Backbone interact. energy: -1.404
local terms energy: -606.138407
where:
bonds (distance) C4'-P energy: -112.036
bonds (distance) P-C4' energy: -114.102
flat angles C4'-P-C4' energy: -126.903
flat angles P-C4'-P energy: -79.940
tors. eta vs tors. theta energy: -173.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1857.184116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.184116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.184116 (E_RNA)
where:
Base-Base interactions energy: -1324.255
where: short stacking energy: -515.244
Base-Backbone interact. energy: -5.337
local terms energy: -527.591237
where:
bonds (distance) C4'-P energy: -99.148
bonds (distance) P-C4' energy: -106.153
flat angles C4'-P-C4' energy: -122.661
flat angles P-C4'-P energy: -80.528
tors. eta vs tors. theta energy: -119.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1578.182144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.182144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.182144 (E_RNA)
where:
Base-Base interactions energy: -1043.348
where: short stacking energy: -468.561
Base-Backbone interact. energy: 0.540
local terms energy: -535.374231
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -99.024
flat angles C4'-P-C4' energy: -125.582
flat angles P-C4'-P energy: -71.256
tors. eta vs tors. theta energy: -130.351
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1388.399904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.399904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.399904 (E_RNA)
where:
Base-Base interactions energy: -891.395
where: short stacking energy: -415.825
Base-Backbone interact. energy: -1.281
local terms energy: -495.724274
where:
bonds (distance) C4'-P energy: -97.724
bonds (distance) P-C4' energy: -102.710
flat angles C4'-P-C4' energy: -111.549
flat angles P-C4'-P energy: -79.947
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: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -996.434905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.434905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.434905 (E_RNA)
where:
Base-Base interactions energy: -591.708
where: short stacking energy: -267.095
Base-Backbone interact. energy: 3.600
local terms energy: -408.326355
where:
bonds (distance) C4'-P energy: -80.915
bonds (distance) P-C4' energy: -114.836
flat angles C4'-P-C4' energy: -107.127
flat angles P-C4'-P energy: -61.008
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -920.908534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.908534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.908534 (E_RNA)
where:
Base-Base interactions energy: -534.320
where: short stacking energy: -264.060
Base-Backbone interact. energy: -1.189
local terms energy: -385.398967
where:
bonds (distance) C4'-P energy: -95.983
bonds (distance) P-C4' energy: -104.448
flat angles C4'-P-C4' energy: -99.356
flat angles P-C4'-P energy: -56.164
tors. eta vs tors. theta energy: -29.448
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -501.847861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.847861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.847861 (E_RNA)
where:
Base-Base interactions energy: -163.114
where: short stacking energy: -122.775
Base-Backbone interact. energy: -0.982
local terms energy: -337.751216
where:
bonds (distance) C4'-P energy: -113.280
bonds (distance) P-C4' energy: -125.200
flat angles C4'-P-C4' energy: -84.606
flat angles P-C4'-P energy: -51.150
tors. eta vs tors. theta energy: 36.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2190.928203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.928203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.928203 (E_RNA)
where:
Base-Base interactions energy: -1529.384
where: short stacking energy: -670.318
Base-Backbone interact. energy: -2.495
local terms energy: -659.049074
where:
bonds (distance) C4'-P energy: -116.407
bonds (distance) P-C4' energy: -116.707
flat angles C4'-P-C4' energy: -140.923
flat angles P-C4'-P energy: -78.667
tors. eta vs tors. theta energy: -206.346
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: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2079.433449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.433449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.433449 (E_RNA)
where:
Base-Base interactions energy: -1440.878
where: short stacking energy: -607.186
Base-Backbone interact. energy: -3.794
local terms energy: -634.761506
where:
bonds (distance) C4'-P energy: -125.994
bonds (distance) P-C4' energy: -119.870
flat angles C4'-P-C4' energy: -136.657
flat angles P-C4'-P energy: -75.278
tors. eta vs tors. theta energy: -176.963
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: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1975.982318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.982318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.982318 (E_RNA)
where:
Base-Base interactions energy: -1360.687
where: short stacking energy: -577.807
Base-Backbone interact. energy: -3.992
local terms energy: -611.303071
where:
bonds (distance) C4'-P energy: -110.320
bonds (distance) P-C4' energy: -120.304
flat angles C4'-P-C4' energy: -130.354
flat angles P-C4'-P energy: -82.362
tors. eta vs tors. theta energy: -167.962
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1862.238143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.238143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.238143 (E_RNA)
where:
Base-Base interactions energy: -1295.123
where: short stacking energy: -504.903
Base-Backbone interact. energy: -1.411
local terms energy: -565.704159
where:
bonds (distance) C4'-P energy: -98.619
bonds (distance) P-C4' energy: -127.114
flat angles C4'-P-C4' energy: -126.792
flat angles P-C4'-P energy: -89.837
tors. eta vs tors. theta energy: -123.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1845.494416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.494416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.494416 (E_RNA)
where:
Base-Base interactions energy: -1259.484
where: short stacking energy: -539.559
Base-Backbone interact. energy: -1.836
local terms energy: -584.174394
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -129.619
flat angles C4'-P-C4' energy: -130.381
flat angles P-C4'-P energy: -82.478
tors. eta vs tors. theta energy: -146.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1431.201299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.201299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.201299 (E_RNA)
where:
Base-Base interactions energy: -892.790
where: short stacking energy: -426.701
Base-Backbone interact. energy: -4.559
local terms energy: -533.851847
where:
bonds (distance) C4'-P energy: -114.457
bonds (distance) P-C4' energy: -112.605
flat angles C4'-P-C4' energy: -120.685
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -103.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1338.323066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.323066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.323066 (E_RNA)
where:
Base-Base interactions energy: -879.253
where: short stacking energy: -383.148
Base-Backbone interact. energy: 1.592
local terms energy: -460.662068
where:
bonds (distance) C4'-P energy: -114.844
bonds (distance) P-C4' energy: -107.978
flat angles C4'-P-C4' energy: -97.676
flat angles P-C4'-P energy: -64.887
tors. eta vs tors. theta energy: -75.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1099.603924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.603924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.603924 (E_RNA)
where:
Base-Base interactions energy: -685.651
where: short stacking energy: -329.049
Base-Backbone interact. energy: -1.061
local terms energy: -412.891301
where:
bonds (distance) C4'-P energy: -103.360
bonds (distance) P-C4' energy: -85.100
flat angles C4'-P-C4' energy: -105.978
flat angles P-C4'-P energy: -59.735
tors. eta vs tors. theta energy: -58.720
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: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -807.095151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.095151 (E_RNA)
where:
Base-Base interactions energy: -451.241
where: short stacking energy: -232.634
Base-Backbone interact. energy: -0.778
local terms energy: -355.076188
where:
bonds (distance) C4'-P energy: -80.256
bonds (distance) P-C4' energy: -117.031
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -70.472
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -474.107962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.107962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.107962 (E_RNA)
where:
Base-Base interactions energy: -170.502
where: short stacking energy: -132.709
Base-Backbone interact. energy: 4.195
local terms energy: -307.801145
where:
bonds (distance) C4'-P energy: -103.409
bonds (distance) P-C4' energy: -99.394
flat angles C4'-P-C4' energy: -83.282
flat angles P-C4'-P energy: -58.188
tors. eta vs tors. theta energy: 36.472
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: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2211.776988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.776988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.776988 (E_RNA)
where:
Base-Base interactions energy: -1497.534
where: short stacking energy: -677.470
Base-Backbone interact. energy: -3.854
local terms energy: -710.388670
where:
bonds (distance) C4'-P energy: -118.202
bonds (distance) P-C4' energy: -134.204
flat angles C4'-P-C4' energy: -142.489
flat angles P-C4'-P energy: -91.960
tors. eta vs tors. theta energy: -223.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2089.063676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.063676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.063676 (E_RNA)
where:
Base-Base interactions energy: -1426.851
where: short stacking energy: -595.955
Base-Backbone interact. energy: 1.244
local terms energy: -663.456109
where:
bonds (distance) C4'-P energy: -134.768
bonds (distance) P-C4' energy: -125.764
flat angles C4'-P-C4' energy: -127.888
flat angles P-C4'-P energy: -108.075
tors. eta vs tors. theta energy: -166.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2019.593105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.593105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.593105 (E_RNA)
where:
Base-Base interactions energy: -1372.871
where: short stacking energy: -591.517
Base-Backbone interact. energy: -3.646
local terms energy: -643.076662
where:
bonds (distance) C4'-P energy: -99.250
bonds (distance) P-C4' energy: -128.300
flat angles C4'-P-C4' energy: -145.661
flat angles P-C4'-P energy: -95.530
tors. eta vs tors. theta energy: -174.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1899.902591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.902591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.902591 (E_RNA)
where:
Base-Base interactions energy: -1299.712
where: short stacking energy: -529.920
Base-Backbone interact. energy: -1.644
local terms energy: -598.546096
where:
bonds (distance) C4'-P energy: -119.134
bonds (distance) P-C4' energy: -124.388
flat angles C4'-P-C4' energy: -133.880
flat angles P-C4'-P energy: -85.155
tors. eta vs tors. theta energy: -135.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1780.455473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.455473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.455473 (E_RNA)
where:
Base-Base interactions energy: -1206.798
where: short stacking energy: -515.208
Base-Backbone interact. energy: 1.004
local terms energy: -574.660545
where:
bonds (distance) C4'-P energy: -112.589
bonds (distance) P-C4' energy: -109.603
flat angles C4'-P-C4' energy: -124.717
flat angles P-C4'-P energy: -81.003
tors. eta vs tors. theta energy: -146.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1423.888885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.888885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.888885 (E_RNA)
where:
Base-Base interactions energy: -909.494
where: short stacking energy: -435.772
Base-Backbone interact. energy: 0.402
local terms energy: -514.797122
where:
bonds (distance) C4'-P energy: -116.149
bonds (distance) P-C4' energy: -104.136
flat angles C4'-P-C4' energy: -114.703
flat angles P-C4'-P energy: -85.215
tors. eta vs tors. theta energy: -94.595
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1409.282720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.282720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.282720 (E_RNA)
where:
Base-Base interactions energy: -902.641
where: short stacking energy: -389.533
Base-Backbone interact. energy: 0.099
local terms energy: -506.740871
where:
bonds (distance) C4'-P energy: -113.440
bonds (distance) P-C4' energy: -110.126
flat angles C4'-P-C4' energy: -116.637
flat angles P-C4'-P energy: -68.056
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: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1104.757216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.757216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.757216 (E_RNA)
where:
Base-Base interactions energy: -654.029
where: short stacking energy: -327.341
Base-Backbone interact. energy: 0.267
local terms energy: -450.995370
where:
bonds (distance) C4'-P energy: -104.043
bonds (distance) P-C4' energy: -119.628
flat angles C4'-P-C4' energy: -104.851
flat angles P-C4'-P energy: -62.322
tors. eta vs tors. theta energy: -60.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -689.405121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.405121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.405121 (E_RNA)
where:
Base-Base interactions energy: -350.552
where: short stacking energy: -209.977
Base-Backbone interact. energy: -3.213
local terms energy: -335.639334
where:
bonds (distance) C4'-P energy: -78.785
bonds (distance) P-C4' energy: -106.555
flat angles C4'-P-C4' energy: -97.550
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -484.574059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.574059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.574059 (E_RNA)
where:
Base-Base interactions energy: -181.826
where: short stacking energy: -128.093
Base-Backbone interact. energy: -1.038
local terms energy: -301.710331
where:
bonds (distance) C4'-P energy: -90.411
bonds (distance) P-C4' energy: -91.568
flat angles C4'-P-C4' energy: -96.563
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: 16.844
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: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2203.119818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.119818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.119818 (E_RNA)
where:
Base-Base interactions energy: -1494.021
where: short stacking energy: -666.865
Base-Backbone interact. energy: -1.775
local terms energy: -707.324228
where:
bonds (distance) C4'-P energy: -131.386
bonds (distance) P-C4' energy: -127.521
flat angles C4'-P-C4' energy: -142.405
flat angles P-C4'-P energy: -92.804
tors. eta vs tors. theta energy: -213.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2104.613076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.613076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.613076 (E_RNA)
where:
Base-Base interactions energy: -1469.881
where: short stacking energy: -624.701
Base-Backbone interact. energy: -6.558
local terms energy: -628.174799
where:
bonds (distance) C4'-P energy: -109.118
bonds (distance) P-C4' energy: -130.503
flat angles C4'-P-C4' energy: -141.375
flat angles P-C4'-P energy: -86.018
tors. eta vs tors. theta energy: -161.161
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: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2019.259341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.259341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.259341 (E_RNA)
where:
Base-Base interactions energy: -1393.956
where: short stacking energy: -586.520
Base-Backbone interact. energy: -0.343
local terms energy: -624.960706
where:
bonds (distance) C4'-P energy: -103.899
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -131.227
flat angles P-C4'-P energy: -89.896
tors. eta vs tors. theta energy: -178.065
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1865.147641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.147641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.147641 (E_RNA)
where:
Base-Base interactions energy: -1274.527
where: short stacking energy: -520.503
Base-Backbone interact. energy: -5.359
local terms energy: -585.262529
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -108.685
flat angles C4'-P-C4' energy: -138.369
flat angles P-C4'-P energy: -88.044
tors. eta vs tors. theta energy: -144.015
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: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1742.621130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.621130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.621130 (E_RNA)
where:
Base-Base interactions energy: -1195.245
where: short stacking energy: -491.820
Base-Backbone interact. energy: -5.689
local terms energy: -541.687115
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -135.918
flat angles P-C4'-P energy: -71.538
tors. eta vs tors. theta energy: -127.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1465.999388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.999388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.999388 (E_RNA)
where:
Base-Base interactions energy: -917.840
where: short stacking energy: -453.175
Base-Backbone interact. energy: 1.243
local terms energy: -549.403024
where:
bonds (distance) C4'-P energy: -113.360
bonds (distance) P-C4' energy: -129.026
flat angles C4'-P-C4' energy: -124.698
flat angles P-C4'-P energy: -64.129
tors. eta vs tors. theta energy: -118.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1415.861736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.861736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.861736 (E_RNA)
where:
Base-Base interactions energy: -922.395
where: short stacking energy: -443.422
Base-Backbone interact. energy: 1.425
local terms energy: -494.891417
where:
bonds (distance) C4'-P energy: -98.151
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -111.294
flat angles P-C4'-P energy: -73.186
tors. eta vs tors. theta energy: -118.093
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: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1102.620528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.620528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.620528 (E_RNA)
where:
Base-Base interactions energy: -666.437
where: short stacking energy: -333.443
Base-Backbone interact. energy: -0.169
local terms energy: -436.014612
where:
bonds (distance) C4'-P energy: -99.334
bonds (distance) P-C4' energy: -119.932
flat angles C4'-P-C4' energy: -98.732
flat angles P-C4'-P energy: -67.954
tors. eta vs tors. theta energy: -50.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -787.813779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.813779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.813779 (E_RNA)
where:
Base-Base interactions energy: -403.806
where: short stacking energy: -205.530
Base-Backbone interact. energy: 8.112
local terms energy: -392.119373
where:
bonds (distance) C4'-P energy: -110.093
bonds (distance) P-C4' energy: -114.679
flat angles C4'-P-C4' energy: -101.077
flat angles P-C4'-P energy: -65.198
tors. eta vs tors. theta energy: -1.073
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: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -534.179005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.179005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.179005 (E_RNA)
where:
Base-Base interactions energy: -195.389
where: short stacking energy: -143.963
Base-Backbone interact. energy: 2.286
local terms energy: -341.076296
where:
bonds (distance) C4'-P energy: -108.764
bonds (distance) P-C4' energy: -120.577
flat angles C4'-P-C4' energy: -89.267
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: 14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2187.562789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.562789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.562789 (E_RNA)
where:
Base-Base interactions energy: -1491.965
where: short stacking energy: -668.320
Base-Backbone interact. energy: -2.232
local terms energy: -693.366108
where:
bonds (distance) C4'-P energy: -124.779
bonds (distance) P-C4' energy: -122.133
flat angles C4'-P-C4' energy: -138.106
flat angles P-C4'-P energy: -105.163
tors. eta vs tors. theta energy: -203.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2093.612225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.612225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.612225 (E_RNA)
where:
Base-Base interactions energy: -1449.278
where: short stacking energy: -626.057
Base-Backbone interact. energy: -6.670
local terms energy: -637.664432
where:
bonds (distance) C4'-P energy: -116.401
bonds (distance) P-C4' energy: -116.263
flat angles C4'-P-C4' energy: -144.625
flat angles P-C4'-P energy: -81.699
tors. eta vs tors. theta energy: -178.676
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: 398
Temperature: 1.000000
Total energy: -2031.169733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.169733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.169733 (E_RNA)
where:
Base-Base interactions energy: -1398.006
where: short stacking energy: -577.271
Base-Backbone interact. energy: -6.253
local terms energy: -626.910963
where:
bonds (distance) C4'-P energy: -120.341
bonds (distance) P-C4' energy: -106.800
flat angles C4'-P-C4' energy: -139.093
flat angles P-C4'-P energy: -95.993
tors. eta vs tors. theta energy: -164.684
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: 398
Temperature: 1.050000
Total energy: -1862.008723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.008723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.008723 (E_RNA)
where:
Base-Base interactions energy: -1294.447
where: short stacking energy: -532.912
Base-Backbone interact. energy: -2.984
local terms energy: -564.577932
where:
bonds (distance) C4'-P energy: -119.816
bonds (distance) P-C4' energy: -114.150
flat angles C4'-P-C4' energy: -116.495
flat angles P-C4'-P energy: -84.335
tors. eta vs tors. theta energy: -129.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1782.870456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.870456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.870456 (E_RNA)
where:
Base-Base interactions energy: -1179.084
where: short stacking energy: -504.708
Base-Backbone interact. energy: -0.904
local terms energy: -602.882813
where:
bonds (distance) C4'-P energy: -106.677
bonds (distance) P-C4' energy: -116.897
flat angles C4'-P-C4' energy: -130.866
flat angles P-C4'-P energy: -97.000
tors. eta vs tors. theta energy: -151.443
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: 398
Temperature: 1.150000
Total energy: -1440.404389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.404389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.404389 (E_RNA)
where:
Base-Base interactions energy: -888.049
where: short stacking energy: -427.792
Base-Backbone interact. energy: 2.707
local terms energy: -555.062139
where:
bonds (distance) C4'-P energy: -117.730
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -81.180
tors. eta vs tors. theta energy: -106.573
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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1354.245466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.245466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.245466 (E_RNA)
where:
Base-Base interactions energy: -838.624
where: short stacking energy: -377.081
Base-Backbone interact. energy: 0.009
local terms energy: -515.630171
where:
bonds (distance) C4'-P energy: -102.753
bonds (distance) P-C4' energy: -125.605
flat angles C4'-P-C4' energy: -110.437
flat angles P-C4'-P energy: -84.083
tors. eta vs tors. theta energy: -92.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1062.526785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.526785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.526785 (E_RNA)
where:
Base-Base interactions energy: -626.888
where: short stacking energy: -290.126
Base-Backbone interact. energy: 1.227
local terms energy: -436.865747
where:
bonds (distance) C4'-P energy: -115.727
bonds (distance) P-C4' energy: -93.870
flat angles C4'-P-C4' energy: -113.714
flat angles P-C4'-P energy: -60.397
tors. eta vs tors. theta energy: -53.159
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -807.207752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.207752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.207752 (E_RNA)
where:
Base-Base interactions energy: -428.544
where: short stacking energy: -216.037
Base-Backbone interact. energy: -3.826
local terms energy: -374.837826
where:
bonds (distance) C4'-P energy: -101.766
bonds (distance) P-C4' energy: -88.977
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -59.868
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -489.025703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.025703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.025703 (E_RNA)
where:
Base-Base interactions energy: -145.776
where: short stacking energy: -126.642
Base-Backbone interact. energy: -2.195
local terms energy: -341.054963
where:
bonds (distance) C4'-P energy: -107.707
bonds (distance) P-C4' energy: -139.781
flat angles C4'-P-C4' energy: -86.117
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: 32.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2196.206958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.206958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.206958 (E_RNA)
where:
Base-Base interactions energy: -1480.540
where: short stacking energy: -652.537
Base-Backbone interact. energy: -4.122
local terms energy: -711.544594
where:
bonds (distance) C4'-P energy: -123.132
bonds (distance) P-C4' energy: -130.385
flat angles C4'-P-C4' energy: -149.451
flat angles P-C4'-P energy: -101.754
tors. eta vs tors. theta energy: -206.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2085.732243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.732243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.732243 (E_RNA)
where:
Base-Base interactions energy: -1452.279
where: short stacking energy: -611.784
Base-Backbone interact. energy: -3.572
local terms energy: -629.881478
where:
bonds (distance) C4'-P energy: -109.114
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -141.221
flat angles P-C4'-P energy: -92.445
tors. eta vs tors. theta energy: -164.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2019.448654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.448654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.448654 (E_RNA)
where:
Base-Base interactions energy: -1397.091
where: short stacking energy: -590.812
Base-Backbone interact. energy: -7.499
local terms energy: -614.858463
where:
bonds (distance) C4'-P energy: -117.045
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -138.594
flat angles P-C4'-P energy: -78.334
tors. eta vs tors. theta energy: -167.936
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: 399
Temperature: 1.050000
Total energy: -1888.421255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.421255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.421255 (E_RNA)
where:
Base-Base interactions energy: -1271.724
where: short stacking energy: -534.545
Base-Backbone interact. energy: -0.268
local terms energy: -616.429067
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -120.210
flat angles C4'-P-C4' energy: -133.319
flat angles P-C4'-P energy: -93.269
tors. eta vs tors. theta energy: -152.462
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: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1744.273528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.273528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.273528 (E_RNA)
where:
Base-Base interactions energy: -1162.753
where: short stacking energy: -475.404
Base-Backbone interact. energy: 5.775
local terms energy: -587.295592
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -119.407
flat angles C4'-P-C4' energy: -138.286
flat angles P-C4'-P energy: -87.199
tors. eta vs tors. theta energy: -133.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1431.743599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.743599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.743599 (E_RNA)
where:
Base-Base interactions energy: -984.874
where: short stacking energy: -444.087
Base-Backbone interact. energy: -1.361
local terms energy: -445.508370
where:
bonds (distance) C4'-P energy: -91.885
bonds (distance) P-C4' energy: -84.544
flat angles C4'-P-C4' energy: -104.278
flat angles P-C4'-P energy: -60.297
tors. eta vs tors. theta energy: -104.503
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1383.310120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.310120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.310120 (E_RNA)
where:
Base-Base interactions energy: -873.916
where: short stacking energy: -390.238
Base-Backbone interact. energy: -2.695
local terms energy: -506.698735
where:
bonds (distance) C4'-P energy: -96.950
bonds (distance) P-C4' energy: -117.715
flat angles C4'-P-C4' energy: -130.807
flat angles P-C4'-P energy: -66.291
tors. eta vs tors. theta energy: -94.936
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: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1110.845772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.845772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.845772 (E_RNA)
where:
Base-Base interactions energy: -698.724
where: short stacking energy: -315.282
Base-Backbone interact. energy: 1.975
local terms energy: -414.097126
where:
bonds (distance) C4'-P energy: -104.782
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -103.774
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -812.708346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.708346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.708346 (E_RNA)
where:
Base-Base interactions energy: -439.629
where: short stacking energy: -214.517
Base-Backbone interact. energy: 4.058
local terms energy: -377.137285
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -106.314
flat angles C4'-P-C4' energy: -95.156
flat angles P-C4'-P energy: -59.347
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -508.168354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.168354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.168354 (E_RNA)
where:
Base-Base interactions energy: -214.087
where: short stacking energy: -148.545
Base-Backbone interact. energy: 0.051
local terms energy: -294.132468
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -95.339
flat angles C4'-P-C4' energy: -89.160
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: 14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2195.151054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.151054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.151054 (E_RNA)
where:
Base-Base interactions energy: -1507.728
where: short stacking energy: -654.579
Base-Backbone interact. energy: -3.512
local terms energy: -683.911314
where:
bonds (distance) C4'-P energy: -134.075
bonds (distance) P-C4' energy: -126.846
flat angles C4'-P-C4' energy: -128.421
flat angles P-C4'-P energy: -98.054
tors. eta vs tors. theta energy: -196.516
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: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2098.614588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.614588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.614588 (E_RNA)
where:
Base-Base interactions energy: -1454.777
where: short stacking energy: -597.892
Base-Backbone interact. energy: -4.629
local terms energy: -639.208166
where:
bonds (distance) C4'-P energy: -133.680
bonds (distance) P-C4' energy: -120.620
flat angles C4'-P-C4' energy: -141.153
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -162.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2035.013529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.013529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.013529 (E_RNA)
where:
Base-Base interactions energy: -1389.152
where: short stacking energy: -588.291
Base-Backbone interact. energy: -3.137
local terms energy: -642.724912
where:
bonds (distance) C4'-P energy: -123.033
bonds (distance) P-C4' energy: -121.368
flat angles C4'-P-C4' energy: -136.775
flat angles P-C4'-P energy: -93.466
tors. eta vs tors. theta energy: -168.083
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: 400
Temperature: 1.050000
Total energy: -1842.166182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.166182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.166182 (E_RNA)
where:
Base-Base interactions energy: -1245.564
where: short stacking energy: -529.393
Base-Backbone interact. energy: 4.953
local terms energy: -601.554972
where:
bonds (distance) C4'-P energy: -116.134
bonds (distance) P-C4' energy: -143.463
flat angles C4'-P-C4' energy: -126.798
flat angles P-C4'-P energy: -80.680
tors. eta vs tors. theta energy: -134.478
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: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1756.976006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.976006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.976006 (E_RNA)
where:
Base-Base interactions energy: -1167.778
where: short stacking energy: -537.456
Base-Backbone interact. energy: 2.900
local terms energy: -592.097731
where:
bonds (distance) C4'-P energy: -114.486
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -123.504
flat angles P-C4'-P energy: -86.153
tors. eta vs tors. theta energy: -159.950
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: 400
Temperature: 1.150000
Total energy: -1434.522230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.522230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.522230 (E_RNA)
where:
Base-Base interactions energy: -929.521
where: short stacking energy: -429.696
Base-Backbone interact. energy: -1.759
local terms energy: -503.242317
where:
bonds (distance) C4'-P energy: -121.771
bonds (distance) P-C4' energy: -113.892
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -55.248
tors. eta vs tors. theta energy: -102.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1370.574748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.574748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.574748 (E_RNA)
where:
Base-Base interactions energy: -884.022
where: short stacking energy: -382.795
Base-Backbone interact. energy: -1.423
local terms energy: -485.128976
where:
bonds (distance) C4'-P energy: -110.320
bonds (distance) P-C4' energy: -107.133
flat angles C4'-P-C4' energy: -101.273
flat angles P-C4'-P energy: -89.577
tors. eta vs tors. theta energy: -76.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1127.358000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.358000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.358000 (E_RNA)
where:
Base-Base interactions energy: -713.309
where: short stacking energy: -345.497
Base-Backbone interact. energy: -2.804
local terms energy: -411.245634
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -110.768
flat angles C4'-P-C4' energy: -97.306
flat angles P-C4'-P energy: -62.085
tors. eta vs tors. theta energy: -48.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -856.462561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.462561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.462561 (E_RNA)
where:
Base-Base interactions energy: -456.597
where: short stacking energy: -238.622
Base-Backbone interact. energy: 2.723
local terms energy: -402.589357
where:
bonds (distance) C4'-P energy: -118.840
bonds (distance) P-C4' energy: -101.614
flat angles C4'-P-C4' energy: -103.341
flat angles P-C4'-P energy: -70.336
tors. eta vs tors. theta energy: -8.458
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: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -567.844169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.844169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.844169 (E_RNA)
where:
Base-Base interactions energy: -250.448
where: short stacking energy: -182.901
Base-Backbone interact. energy: 1.821
local terms energy: -319.217366
where:
bonds (distance) C4'-P energy: -101.544
bonds (distance) P-C4' energy: -85.370
flat angles C4'-P-C4' energy: -84.955
flat angles P-C4'-P energy: -67.267
tors. eta vs tors. theta energy: 19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2195.706192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.706192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.706192 (E_RNA)
where:
Base-Base interactions energy: -1489.917
where: short stacking energy: -645.717
Base-Backbone interact. energy: -5.651
local terms energy: -700.138068
where:
bonds (distance) C4'-P energy: -143.542
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -142.566
flat angles P-C4'-P energy: -94.784
tors. eta vs tors. theta energy: -203.798
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: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2061.832624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.832624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.832624 (E_RNA)
where:
Base-Base interactions energy: -1438.529
where: short stacking energy: -595.636
Base-Backbone interact. energy: -3.992
local terms energy: -619.311964
where:
bonds (distance) C4'-P energy: -117.050
bonds (distance) P-C4' energy: -124.568
flat angles C4'-P-C4' energy: -126.658
flat angles P-C4'-P energy: -85.351
tors. eta vs tors. theta energy: -165.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2048.663021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.663021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.663021 (E_RNA)
where:
Base-Base interactions energy: -1403.235
where: short stacking energy: -614.611
Base-Backbone interact. energy: -3.106
local terms energy: -642.321753
where:
bonds (distance) C4'-P energy: -125.019
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -137.267
flat angles P-C4'-P energy: -88.111
tors. eta vs tors. theta energy: -182.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1857.277220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.277220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.277220 (E_RNA)
where:
Base-Base interactions energy: -1248.031
where: short stacking energy: -511.760
Base-Backbone interact. energy: -5.265
local terms energy: -603.981534
where:
bonds (distance) C4'-P energy: -134.084
bonds (distance) P-C4' energy: -129.314
flat angles C4'-P-C4' energy: -136.152
flat angles P-C4'-P energy: -61.263
tors. eta vs tors. theta energy: -143.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1741.771015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.771015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.771015 (E_RNA)
where:
Base-Base interactions energy: -1192.126
where: short stacking energy: -533.142
Base-Backbone interact. energy: -0.149
local terms energy: -549.495956
where:
bonds (distance) C4'-P energy: -114.226
bonds (distance) P-C4' energy: -101.256
flat angles C4'-P-C4' energy: -121.658
flat angles P-C4'-P energy: -68.316
tors. eta vs tors. theta energy: -144.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1509.198071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.198071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.198071 (E_RNA)
where:
Base-Base interactions energy: -981.551
where: short stacking energy: -431.505
Base-Backbone interact. energy: -1.443
local terms energy: -526.203346
where:
bonds (distance) C4'-P energy: -87.487
bonds (distance) P-C4' energy: -124.949
flat angles C4'-P-C4' energy: -114.841
flat angles P-C4'-P energy: -89.139
tors. eta vs tors. theta energy: -109.788
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: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1360.428824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.428824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.428824 (E_RNA)
where:
Base-Base interactions energy: -871.206
where: short stacking energy: -402.758
Base-Backbone interact. energy: -0.781
local terms energy: -488.441450
where:
bonds (distance) C4'-P energy: -101.947
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -109.133
flat angles P-C4'-P energy: -66.903
tors. eta vs tors. theta energy: -94.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1141.786824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.786824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.786824 (E_RNA)
where:
Base-Base interactions energy: -734.617
where: short stacking energy: -338.263
Base-Backbone interact. energy: 2.467
local terms energy: -409.636472
where:
bonds (distance) C4'-P energy: -107.069
bonds (distance) P-C4' energy: -100.628
flat angles C4'-P-C4' energy: -67.869
flat angles P-C4'-P energy: -74.452
tors. eta vs tors. theta energy: -59.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -819.055516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.055516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.055516 (E_RNA)
where:
Base-Base interactions energy: -441.589
where: short stacking energy: -243.239
Base-Backbone interact. energy: -0.053
local terms energy: -377.413697
where:
bonds (distance) C4'-P energy: -110.130
bonds (distance) P-C4' energy: -92.730
flat angles C4'-P-C4' energy: -90.502
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -30.474
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: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -589.799773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.799773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.799773 (E_RNA)
where:
Base-Base interactions energy: -239.576
where: short stacking energy: -167.699
Base-Backbone interact. energy: -1.649
local terms energy: -348.574000
where:
bonds (distance) C4'-P energy: -107.680
bonds (distance) P-C4' energy: -88.817
flat angles C4'-P-C4' energy: -99.881
flat angles P-C4'-P energy: -60.226
tors. eta vs tors. theta energy: 8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2214.858459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.858459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.858459 (E_RNA)
where:
Base-Base interactions energy: -1517.087
where: short stacking energy: -676.303
Base-Backbone interact. energy: -6.006
local terms energy: -691.765585
where:
bonds (distance) C4'-P energy: -114.447
bonds (distance) P-C4' energy: -123.916
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -99.518
tors. eta vs tors. theta energy: -205.331
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: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2081.061554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.061554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.061554 (E_RNA)
where:
Base-Base interactions energy: -1426.154
where: short stacking energy: -617.470
Base-Backbone interact. energy: -7.859
local terms energy: -647.048361
where:
bonds (distance) C4'-P energy: -116.305
bonds (distance) P-C4' energy: -129.883
flat angles C4'-P-C4' energy: -144.173
flat angles P-C4'-P energy: -87.695
tors. eta vs tors. theta energy: -168.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2056.948840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.948840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.948840 (E_RNA)
where:
Base-Base interactions energy: -1394.390
where: short stacking energy: -591.765
Base-Backbone interact. energy: -3.867
local terms energy: -658.692025
where:
bonds (distance) C4'-P energy: -114.193
bonds (distance) P-C4' energy: -130.383
flat angles C4'-P-C4' energy: -143.721
flat angles P-C4'-P energy: -93.145
tors. eta vs tors. theta energy: -177.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1928.984975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.984975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.984975 (E_RNA)
where:
Base-Base interactions energy: -1350.481
where: short stacking energy: -546.611
Base-Backbone interact. energy: -0.439
local terms energy: -578.065439
where:
bonds (distance) C4'-P energy: -107.804
bonds (distance) P-C4' energy: -114.459
flat angles C4'-P-C4' energy: -128.724
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -139.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1796.865765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.865765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.865765 (E_RNA)
where:
Base-Base interactions energy: -1235.812
where: short stacking energy: -537.509
Base-Backbone interact. energy: 0.351
local terms energy: -561.404724
where:
bonds (distance) C4'-P energy: -89.495
bonds (distance) P-C4' energy: -113.297
flat angles C4'-P-C4' energy: -118.760
flat angles P-C4'-P energy: -89.878
tors. eta vs tors. theta energy: -149.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1470.585177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.585177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.585177 (E_RNA)
where:
Base-Base interactions energy: -910.068
where: short stacking energy: -399.406
Base-Backbone interact. energy: -1.590
local terms energy: -558.926918
where:
bonds (distance) C4'-P energy: -107.665
bonds (distance) P-C4' energy: -120.516
flat angles C4'-P-C4' energy: -137.699
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -107.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1336.616351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.616351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.616351 (E_RNA)
where:
Base-Base interactions energy: -875.241
where: short stacking energy: -406.612
Base-Backbone interact. energy: -3.222
local terms energy: -458.153144
where:
bonds (distance) C4'-P energy: -95.774
bonds (distance) P-C4' energy: -104.994
flat angles C4'-P-C4' energy: -122.599
flat angles P-C4'-P energy: -60.877
tors. eta vs tors. theta energy: -73.909
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: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1115.433041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.433041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.433041 (E_RNA)
where:
Base-Base interactions energy: -695.990
where: short stacking energy: -317.972
Base-Backbone interact. energy: -3.370
local terms energy: -416.073435
where:
bonds (distance) C4'-P energy: -110.147
bonds (distance) P-C4' energy: -111.720
flat angles C4'-P-C4' energy: -96.926
flat angles P-C4'-P energy: -58.854
tors. eta vs tors. theta energy: -38.426
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: 402
Temperature: 1.300000
Total energy: -823.010028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.010028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.010028 (E_RNA)
where:
Base-Base interactions energy: -465.394
where: short stacking energy: -247.560
Base-Backbone interact. energy: 1.309
local terms energy: -358.924268
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -91.200
flat angles C4'-P-C4' energy: -110.695
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -531.798780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.798780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.798780 (E_RNA)
where:
Base-Base interactions energy: -178.369
where: short stacking energy: -138.081
Base-Backbone interact. energy: 0.540
local terms energy: -353.969751
where:
bonds (distance) C4'-P energy: -119.573
bonds (distance) P-C4' energy: -114.935
flat angles C4'-P-C4' energy: -93.381
flat angles P-C4'-P energy: -45.340
tors. eta vs tors. theta energy: 19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2194.864616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.864616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.864616 (E_RNA)
where:
Base-Base interactions energy: -1502.695
where: short stacking energy: -672.595
Base-Backbone interact. energy: -0.086
local terms energy: -692.083045
where:
bonds (distance) C4'-P energy: -134.930
bonds (distance) P-C4' energy: -119.938
flat angles C4'-P-C4' energy: -146.604
flat angles P-C4'-P energy: -97.674
tors. eta vs tors. theta energy: -192.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2109.347691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.347691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.347691 (E_RNA)
where:
Base-Base interactions energy: -1467.764
where: short stacking energy: -627.899
Base-Backbone interact. energy: -4.657
local terms energy: -636.927165
where:
bonds (distance) C4'-P energy: -117.409
bonds (distance) P-C4' energy: -104.084
flat angles C4'-P-C4' energy: -151.295
flat angles P-C4'-P energy: -92.355
tors. eta vs tors. theta energy: -171.784
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: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2043.702872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.702872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.702872 (E_RNA)
where:
Base-Base interactions energy: -1410.702
where: short stacking energy: -594.411
Base-Backbone interact. energy: -1.188
local terms energy: -631.812987
where:
bonds (distance) C4'-P energy: -122.441
bonds (distance) P-C4' energy: -99.943
flat angles C4'-P-C4' energy: -139.676
flat angles P-C4'-P energy: -97.509
tors. eta vs tors. theta energy: -172.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1862.020222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.020222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.020222 (E_RNA)
where:
Base-Base interactions energy: -1254.527
where: short stacking energy: -498.626
Base-Backbone interact. energy: -5.577
local terms energy: -601.916219
where:
bonds (distance) C4'-P energy: -126.563
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -139.184
flat angles P-C4'-P energy: -85.370
tors. eta vs tors. theta energy: -129.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1812.895081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.895081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.895081 (E_RNA)
where:
Base-Base interactions energy: -1223.262
where: short stacking energy: -525.605
Base-Backbone interact. energy: -1.792
local terms energy: -587.841188
where:
bonds (distance) C4'-P energy: -118.408
bonds (distance) P-C4' energy: -119.898
flat angles C4'-P-C4' energy: -125.061
flat angles P-C4'-P energy: -66.116
tors. eta vs tors. theta energy: -158.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1472.219401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.219401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.219401 (E_RNA)
where:
Base-Base interactions energy: -930.253
where: short stacking energy: -442.835
Base-Backbone interact. energy: -0.678
local terms energy: -541.288395
where:
bonds (distance) C4'-P energy: -100.419
bonds (distance) P-C4' energy: -111.233
flat angles C4'-P-C4' energy: -120.627
flat angles P-C4'-P energy: -87.834
tors. eta vs tors. theta energy: -121.176
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: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1357.525318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.525318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.525318 (E_RNA)
where:
Base-Base interactions energy: -870.647
where: short stacking energy: -390.172
Base-Backbone interact. energy: 6.251
local terms energy: -493.129420
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -98.487
flat angles P-C4'-P energy: -75.755
tors. eta vs tors. theta energy: -88.806
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: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1143.695865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.695865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.695865 (E_RNA)
where:
Base-Base interactions energy: -710.260
where: short stacking energy: -318.304
Base-Backbone interact. energy: -2.217
local terms energy: -431.218866
where:
bonds (distance) C4'-P energy: -106.213
bonds (distance) P-C4' energy: -101.541
flat angles C4'-P-C4' energy: -109.098
flat angles P-C4'-P energy: -63.433
tors. eta vs tors. theta energy: -50.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -845.202053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.202053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.202053 (E_RNA)
where:
Base-Base interactions energy: -454.051
where: short stacking energy: -246.727
Base-Backbone interact. energy: 0.396
local terms energy: -391.547204
where:
bonds (distance) C4'-P energy: -111.104
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -58.982
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -558.807644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.807644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.807644 (E_RNA)
where:
Base-Base interactions energy: -240.324
where: short stacking energy: -178.355
Base-Backbone interact. energy: -2.507
local terms energy: -315.976443
where:
bonds (distance) C4'-P energy: -96.128
bonds (distance) P-C4' energy: -107.694
flat angles C4'-P-C4' energy: -92.789
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: 25.558
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: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2207.922256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.922256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.922256 (E_RNA)
where:
Base-Base interactions energy: -1490.665
where: short stacking energy: -661.299
Base-Backbone interact. energy: -4.493
local terms energy: -712.764491
where:
bonds (distance) C4'-P energy: -123.553
bonds (distance) P-C4' energy: -126.447
flat angles C4'-P-C4' energy: -157.156
flat angles P-C4'-P energy: -104.229
tors. eta vs tors. theta energy: -201.380
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: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2086.177287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.177287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.177287 (E_RNA)
where:
Base-Base interactions energy: -1454.474
where: short stacking energy: -581.476
Base-Backbone interact. energy: -3.595
local terms energy: -628.107859
where:
bonds (distance) C4'-P energy: -119.449
bonds (distance) P-C4' energy: -131.027
flat angles C4'-P-C4' energy: -119.525
flat angles P-C4'-P energy: -87.862
tors. eta vs tors. theta energy: -170.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2028.068653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.068653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.068653 (E_RNA)
where:
Base-Base interactions energy: -1394.116
where: short stacking energy: -585.512
Base-Backbone interact. energy: -0.691
local terms energy: -633.261535
where:
bonds (distance) C4'-P energy: -126.196
bonds (distance) P-C4' energy: -123.399
flat angles C4'-P-C4' energy: -127.139
flat angles P-C4'-P energy: -86.668
tors. eta vs tors. theta energy: -169.860
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: 404
Temperature: 1.050000
Total energy: -1874.030517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.030517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.030517 (E_RNA)
where:
Base-Base interactions energy: -1288.699
where: short stacking energy: -550.371
Base-Backbone interact. energy: -4.045
local terms energy: -581.287479
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -137.560
flat angles C4'-P-C4' energy: -126.918
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -137.193
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1777.192051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.192051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.192051 (E_RNA)
where:
Base-Base interactions energy: -1198.966
where: short stacking energy: -529.827
Base-Backbone interact. energy: 1.980
local terms energy: -580.206445
where:
bonds (distance) C4'-P energy: -108.703
bonds (distance) P-C4' energy: -109.051
flat angles C4'-P-C4' energy: -142.575
flat angles P-C4'-P energy: -83.257
tors. eta vs tors. theta energy: -136.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1517.047181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.047181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.047181 (E_RNA)
where:
Base-Base interactions energy: -993.801
where: short stacking energy: -468.245
Base-Backbone interact. energy: -1.039
local terms energy: -522.207200
where:
bonds (distance) C4'-P energy: -106.065
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -117.631
flat angles P-C4'-P energy: -83.841
tors. eta vs tors. theta energy: -119.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1344.622540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.622540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.622540 (E_RNA)
where:
Base-Base interactions energy: -855.309
where: short stacking energy: -394.191
Base-Backbone interact. energy: -3.187
local terms energy: -486.126660
where:
bonds (distance) C4'-P energy: -107.101
bonds (distance) P-C4' energy: -102.543
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -82.574
tors. eta vs tors. theta energy: -83.806
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1117.654428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.654428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.654428 (E_RNA)
where:
Base-Base interactions energy: -670.719
where: short stacking energy: -333.629
Base-Backbone interact. energy: -2.612
local terms energy: -444.323725
where:
bonds (distance) C4'-P energy: -100.835
bonds (distance) P-C4' energy: -120.352
flat angles C4'-P-C4' energy: -94.245
flat angles P-C4'-P energy: -74.982
tors. eta vs tors. theta energy: -53.911
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: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -840.061688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.061688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.061688 (E_RNA)
where:
Base-Base interactions energy: -447.800
where: short stacking energy: -246.077
Base-Backbone interact. energy: 0.518
local terms energy: -392.779222
where:
bonds (distance) C4'-P energy: -106.911
bonds (distance) P-C4' energy: -95.208
flat angles C4'-P-C4' energy: -92.616
flat angles P-C4'-P energy: -68.534
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -576.416541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.416541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.416541 (E_RNA)
where:
Base-Base interactions energy: -276.305
where: short stacking energy: -176.737
Base-Backbone interact. energy: 2.103
local terms energy: -302.214209
where:
bonds (distance) C4'-P energy: -93.532
bonds (distance) P-C4' energy: -100.754
flat angles C4'-P-C4' energy: -63.151
flat angles P-C4'-P energy: -57.366
tors. eta vs tors. theta energy: 12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2207.969817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.969817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.969817 (E_RNA)
where:
Base-Base interactions energy: -1500.019
where: short stacking energy: -680.622
Base-Backbone interact. energy: -1.004
local terms energy: -706.946547
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -133.100
flat angles C4'-P-C4' energy: -152.557
flat angles P-C4'-P energy: -97.569
tors. eta vs tors. theta energy: -214.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2101.409548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.409548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.409548 (E_RNA)
where:
Base-Base interactions energy: -1459.961
where: short stacking energy: -624.899
Base-Backbone interact. energy: -3.136
local terms energy: -638.313455
where:
bonds (distance) C4'-P energy: -118.561
bonds (distance) P-C4' energy: -114.335
flat angles C4'-P-C4' energy: -137.513
flat angles P-C4'-P energy: -97.089
tors. eta vs tors. theta energy: -170.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2047.897250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.897250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.897250 (E_RNA)
where:
Base-Base interactions energy: -1412.918
where: short stacking energy: -615.381
Base-Backbone interact. energy: -0.672
local terms energy: -634.307870
where:
bonds (distance) C4'-P energy: -105.596
bonds (distance) P-C4' energy: -107.772
flat angles C4'-P-C4' energy: -143.547
flat angles P-C4'-P energy: -97.629
tors. eta vs tors. theta energy: -179.764
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: 405
Temperature: 1.050000
Total energy: -1850.964992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.964992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.964992 (E_RNA)
where:
Base-Base interactions energy: -1280.635
where: short stacking energy: -524.050
Base-Backbone interact. energy: -0.712
local terms energy: -569.617712
where:
bonds (distance) C4'-P energy: -115.637
bonds (distance) P-C4' energy: -126.474
flat angles C4'-P-C4' energy: -133.458
flat angles P-C4'-P energy: -78.251
tors. eta vs tors. theta energy: -115.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1767.983463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.983463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.983463 (E_RNA)
where:
Base-Base interactions energy: -1204.908
where: short stacking energy: -510.432
Base-Backbone interact. energy: 2.712
local terms energy: -565.786917
where:
bonds (distance) C4'-P energy: -100.476
bonds (distance) P-C4' energy: -105.792
flat angles C4'-P-C4' energy: -125.078
flat angles P-C4'-P energy: -89.163
tors. eta vs tors. theta energy: -145.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1480.114037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.114037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.114037 (E_RNA)
where:
Base-Base interactions energy: -960.551
where: short stacking energy: -429.475
Base-Backbone interact. energy: -2.943
local terms energy: -516.620118
where:
bonds (distance) C4'-P energy: -109.050
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -123.383
flat angles P-C4'-P energy: -74.925
tors. eta vs tors. theta energy: -101.494
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: 405
Temperature: 1.200000
Total energy: -1379.375256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.375256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.375256 (E_RNA)
where:
Base-Base interactions energy: -893.988
where: short stacking energy: -425.589
Base-Backbone interact. energy: -0.035
local terms energy: -485.352665
where:
bonds (distance) C4'-P energy: -94.052
bonds (distance) P-C4' energy: -109.727
flat angles C4'-P-C4' energy: -113.675
flat angles P-C4'-P energy: -57.322
tors. eta vs tors. theta energy: -110.577
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: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1115.800845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.800845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.800845 (E_RNA)
where:
Base-Base interactions energy: -726.661
where: short stacking energy: -352.345
Base-Backbone interact. energy: -1.754
local terms energy: -387.384897
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -93.916
flat angles C4'-P-C4' energy: -99.967
flat angles P-C4'-P energy: -55.307
tors. eta vs tors. theta energy: -54.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -830.046422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.046422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.046422 (E_RNA)
where:
Base-Base interactions energy: -478.595
where: short stacking energy: -261.422
Base-Backbone interact. energy: 0.060
local terms energy: -351.511386
where:
bonds (distance) C4'-P energy: -102.707
bonds (distance) P-C4' energy: -95.833
flat angles C4'-P-C4' energy: -83.645
flat angles P-C4'-P energy: -55.014
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -559.274732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.274732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.274732 (E_RNA)
where:
Base-Base interactions energy: -243.851
where: short stacking energy: -155.310
Base-Backbone interact. energy: 7.392
local terms energy: -322.815404
where:
bonds (distance) C4'-P energy: -87.681
bonds (distance) P-C4' energy: -107.137
flat angles C4'-P-C4' energy: -93.011
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: 9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2199.181497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.181497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.181497 (E_RNA)
where:
Base-Base interactions energy: -1496.808
where: short stacking energy: -690.445
Base-Backbone interact. energy: -2.041
local terms energy: -700.332129
where:
bonds (distance) C4'-P energy: -120.008
bonds (distance) P-C4' energy: -137.344
flat angles C4'-P-C4' energy: -148.801
flat angles P-C4'-P energy: -90.289
tors. eta vs tors. theta energy: -203.890
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2109.510390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.510390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.510390 (E_RNA)
where:
Base-Base interactions energy: -1463.674
where: short stacking energy: -596.903
Base-Backbone interact. energy: -2.482
local terms energy: -643.354739
where:
bonds (distance) C4'-P energy: -122.001
bonds (distance) P-C4' energy: -118.616
flat angles C4'-P-C4' energy: -135.642
flat angles P-C4'-P energy: -101.781
tors. eta vs tors. theta energy: -165.314
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: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2055.124819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.124819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.124819 (E_RNA)
where:
Base-Base interactions energy: -1396.677
where: short stacking energy: -615.843
Base-Backbone interact. energy: -4.164
local terms energy: -654.284030
where:
bonds (distance) C4'-P energy: -121.714
bonds (distance) P-C4' energy: -123.409
flat angles C4'-P-C4' energy: -136.519
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -184.857
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: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1826.865167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.865167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.865167 (E_RNA)
where:
Base-Base interactions energy: -1250.073
where: short stacking energy: -515.136
Base-Backbone interact. energy: 0.443
local terms energy: -577.235577
where:
bonds (distance) C4'-P energy: -123.548
bonds (distance) P-C4' energy: -106.175
flat angles C4'-P-C4' energy: -132.140
flat angles P-C4'-P energy: -85.129
tors. eta vs tors. theta energy: -130.243
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: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1782.590517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.590517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.590517 (E_RNA)
where:
Base-Base interactions energy: -1225.011
where: short stacking energy: -529.658
Base-Backbone interact. energy: 3.026
local terms energy: -560.604988
where:
bonds (distance) C4'-P energy: -99.116
bonds (distance) P-C4' energy: -94.503
flat angles C4'-P-C4' energy: -132.624
flat angles P-C4'-P energy: -77.455
tors. eta vs tors. theta energy: -156.906
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: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1562.508001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.508001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.508001 (E_RNA)
where:
Base-Base interactions energy: -1007.999
where: short stacking energy: -468.834
Base-Backbone interact. energy: -1.766
local terms energy: -552.742809
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -86.334
flat angles C4'-P-C4' energy: -133.385
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -136.642
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: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1358.454029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.454029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.454029 (E_RNA)
where:
Base-Base interactions energy: -850.660
where: short stacking energy: -382.824
Base-Backbone interact. energy: -1.634
local terms energy: -506.160582
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -75.490
tors. eta vs tors. theta energy: -88.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1164.934109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.934109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.934109 (E_RNA)
where:
Base-Base interactions energy: -745.605
where: short stacking energy: -331.725
Base-Backbone interact. energy: 7.403
local terms energy: -426.731875
where:
bonds (distance) C4'-P energy: -100.735
bonds (distance) P-C4' energy: -106.961
flat angles C4'-P-C4' energy: -101.196
flat angles P-C4'-P energy: -67.319
tors. eta vs tors. theta energy: -50.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -934.411602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.411602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.411602 (E_RNA)
where:
Base-Base interactions energy: -539.282
where: short stacking energy: -273.796
Base-Backbone interact. energy: -4.077
local terms energy: -391.052732
where:
bonds (distance) C4'-P energy: -102.917
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -97.519
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -36.209
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: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -566.952668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.952668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.952668 (E_RNA)
where:
Base-Base interactions energy: -236.594
where: short stacking energy: -171.226
Base-Backbone interact. energy: -0.286
local terms energy: -330.072646
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -106.388
flat angles C4'-P-C4' energy: -76.944
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: 11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2170.686857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.686857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.686857 (E_RNA)
where:
Base-Base interactions energy: -1471.880
where: short stacking energy: -662.348
Base-Backbone interact. energy: -1.554
local terms energy: -697.252908
where:
bonds (distance) C4'-P energy: -134.040
bonds (distance) P-C4' energy: -125.413
flat angles C4'-P-C4' energy: -143.608
flat angles P-C4'-P energy: -85.902
tors. eta vs tors. theta energy: -208.289
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2085.670956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.670956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.670956 (E_RNA)
where:
Base-Base interactions energy: -1452.417
where: short stacking energy: -605.971
Base-Backbone interact. energy: -4.737
local terms energy: -628.517676
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -119.464
flat angles C4'-P-C4' energy: -141.280
flat angles P-C4'-P energy: -93.760
tors. eta vs tors. theta energy: -175.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2089.877376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.877376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.877376 (E_RNA)
where:
Base-Base interactions energy: -1439.398
where: short stacking energy: -612.122
Base-Backbone interact. energy: -2.248
local terms energy: -648.232179
where:
bonds (distance) C4'-P energy: -123.722
bonds (distance) P-C4' energy: -116.425
flat angles C4'-P-C4' energy: -138.473
flat angles P-C4'-P energy: -83.561
tors. eta vs tors. theta energy: -186.052
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: 407
Temperature: 1.050000
Total energy: -1847.687096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.687096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.687096 (E_RNA)
where:
Base-Base interactions energy: -1259.491
where: short stacking energy: -540.552
Base-Backbone interact. energy: -5.111
local terms energy: -583.085163
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -119.907
flat angles C4'-P-C4' energy: -125.752
flat angles P-C4'-P energy: -87.052
tors. eta vs tors. theta energy: -136.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1713.467548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.467548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.467548 (E_RNA)
where:
Base-Base interactions energy: -1196.060
where: short stacking energy: -534.703
Base-Backbone interact. energy: 2.345
local terms energy: -519.752936
where:
bonds (distance) C4'-P energy: -102.041
bonds (distance) P-C4' energy: -84.140
flat angles C4'-P-C4' energy: -127.461
flat angles P-C4'-P energy: -63.330
tors. eta vs tors. theta energy: -142.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1524.124339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.124339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.124339 (E_RNA)
where:
Base-Base interactions energy: -1020.613
where: short stacking energy: -471.927
Base-Backbone interact. energy: -0.510
local terms energy: -503.001601
where:
bonds (distance) C4'-P energy: -87.611
bonds (distance) P-C4' energy: -104.130
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -72.995
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: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1330.821137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.821137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.821137 (E_RNA)
where:
Base-Base interactions energy: -849.702
where: short stacking energy: -411.886
Base-Backbone interact. energy: -1.571
local terms energy: -479.547740
where:
bonds (distance) C4'-P energy: -111.583
bonds (distance) P-C4' energy: -113.845
flat angles C4'-P-C4' energy: -114.348
flat angles P-C4'-P energy: -54.132
tors. eta vs tors. theta energy: -85.640
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: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1147.567514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.567514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.567514 (E_RNA)
where:
Base-Base interactions energy: -700.849
where: short stacking energy: -342.071
Base-Backbone interact. energy: -2.220
local terms energy: -444.498550
where:
bonds (distance) C4'-P energy: -110.346
bonds (distance) P-C4' energy: -107.890
flat angles C4'-P-C4' energy: -109.616
flat angles P-C4'-P energy: -53.393
tors. eta vs tors. theta energy: -63.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -939.410571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.410571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.410571 (E_RNA)
where:
Base-Base interactions energy: -518.403
where: short stacking energy: -270.084
Base-Backbone interact. energy: 4.880
local terms energy: -425.887075
where:
bonds (distance) C4'-P energy: -83.272
bonds (distance) P-C4' energy: -123.431
flat angles C4'-P-C4' energy: -105.562
flat angles P-C4'-P energy: -82.338
tors. eta vs tors. theta energy: -31.284
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: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -555.868105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.868105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.868105 (E_RNA)
where:
Base-Base interactions energy: -223.788
where: short stacking energy: -150.226
Base-Backbone interact. energy: -2.671
local terms energy: -329.408814
where:
bonds (distance) C4'-P energy: -98.565
bonds (distance) P-C4' energy: -109.299
flat angles C4'-P-C4' energy: -68.045
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: 12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2189.218339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.218339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.218339 (E_RNA)
where:
Base-Base interactions energy: -1484.644
where: short stacking energy: -672.974
Base-Backbone interact. energy: -2.036
local terms energy: -702.538176
where:
bonds (distance) C4'-P energy: -119.282
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -149.770
flat angles P-C4'-P energy: -102.752
tors. eta vs tors. theta energy: -199.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2099.834766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.834766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.834766 (E_RNA)
where:
Base-Base interactions energy: -1484.121
where: short stacking energy: -634.195
Base-Backbone interact. energy: -9.623
local terms energy: -606.090601
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -77.531
tors. eta vs tors. theta energy: -167.362
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2037.587890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.587890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.587890 (E_RNA)
where:
Base-Base interactions energy: -1390.856
where: short stacking energy: -599.173
Base-Backbone interact. energy: 2.408
local terms energy: -649.139498
where:
bonds (distance) C4'-P energy: -126.633
bonds (distance) P-C4' energy: -122.882
flat angles C4'-P-C4' energy: -131.992
flat angles P-C4'-P energy: -93.523
tors. eta vs tors. theta energy: -174.109
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: 408
Temperature: 1.050000
Total energy: -1870.536793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.536793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.536793 (E_RNA)
where:
Base-Base interactions energy: -1312.888
where: short stacking energy: -540.663
Base-Backbone interact. energy: -7.074
local terms energy: -550.573991
where:
bonds (distance) C4'-P energy: -114.732
bonds (distance) P-C4' energy: -112.670
flat angles C4'-P-C4' energy: -124.566
flat angles P-C4'-P energy: -66.806
tors. eta vs tors. theta energy: -131.799
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: 408
Temperature: 1.100000
Total energy: -1760.783158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.783158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.783158 (E_RNA)
where:
Base-Base interactions energy: -1180.355
where: short stacking energy: -528.219
Base-Backbone interact. energy: -1.622
local terms energy: -578.805851
where:
bonds (distance) C4'-P energy: -116.652
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -124.039
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -139.459
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: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1538.003094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.003094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.003094 (E_RNA)
where:
Base-Base interactions energy: -1017.245
where: short stacking energy: -454.911
Base-Backbone interact. energy: -2.937
local terms energy: -517.821390
where:
bonds (distance) C4'-P energy: -99.555
bonds (distance) P-C4' energy: -114.786
flat angles C4'-P-C4' energy: -110.939
flat angles P-C4'-P energy: -72.034
tors. eta vs tors. theta energy: -120.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1247.003947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.003947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.003947 (E_RNA)
where:
Base-Base interactions energy: -781.656
where: short stacking energy: -407.569
Base-Backbone interact. energy: -4.072
local terms energy: -461.276089
where:
bonds (distance) C4'-P energy: -93.865
bonds (distance) P-C4' energy: -107.709
flat angles C4'-P-C4' energy: -110.517
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -83.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1141.131672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.131672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.131672 (E_RNA)
where:
Base-Base interactions energy: -695.460
where: short stacking energy: -309.373
Base-Backbone interact. energy: -1.844
local terms energy: -443.827731
where:
bonds (distance) C4'-P energy: -99.778
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -119.749
flat angles P-C4'-P energy: -72.393
tors. eta vs tors. theta energy: -53.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -918.312229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.312229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.312229 (E_RNA)
where:
Base-Base interactions energy: -544.547
where: short stacking energy: -283.945
Base-Backbone interact. energy: -1.117
local terms energy: -372.647859
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -77.191
flat angles C4'-P-C4' energy: -103.542
flat angles P-C4'-P energy: -64.748
tors. eta vs tors. theta energy: -43.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -499.496497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.496497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.496497 (E_RNA)
where:
Base-Base interactions energy: -178.516
where: short stacking energy: -139.585
Base-Backbone interact. energy: 3.750
local terms energy: -324.730758
where:
bonds (distance) C4'-P energy: -106.767
bonds (distance) P-C4' energy: -113.135
flat angles C4'-P-C4' energy: -83.905
flat angles P-C4'-P energy: -47.773
tors. eta vs tors. theta energy: 26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2201.460360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.460360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.460360 (E_RNA)
where:
Base-Base interactions energy: -1496.861
where: short stacking energy: -672.257
Base-Backbone interact. energy: -0.758
local terms energy: -703.841210
where:
bonds (distance) C4'-P energy: -118.679
bonds (distance) P-C4' energy: -121.210
flat angles C4'-P-C4' energy: -148.991
flat angles P-C4'-P energy: -104.933
tors. eta vs tors. theta energy: -210.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2103.717654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.717654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.717654 (E_RNA)
where:
Base-Base interactions energy: -1448.686
where: short stacking energy: -619.212
Base-Backbone interact. energy: -3.305
local terms energy: -651.726252
where:
bonds (distance) C4'-P energy: -118.041
bonds (distance) P-C4' energy: -127.474
flat angles C4'-P-C4' energy: -137.770
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -180.534
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: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2053.016588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.016588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.016588 (E_RNA)
where:
Base-Base interactions energy: -1416.119
where: short stacking energy: -604.968
Base-Backbone interact. energy: -4.692
local terms energy: -632.205214
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -128.720
flat angles C4'-P-C4' energy: -128.501
flat angles P-C4'-P energy: -94.345
tors. eta vs tors. theta energy: -171.432
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: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1861.610306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.610306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.610306 (E_RNA)
where:
Base-Base interactions energy: -1294.243
where: short stacking energy: -522.902
Base-Backbone interact. energy: -2.007
local terms energy: -565.360558
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -113.341
flat angles C4'-P-C4' energy: -110.531
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -145.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1732.899592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.899592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.899592 (E_RNA)
where:
Base-Base interactions energy: -1173.164
where: short stacking energy: -507.704
Base-Backbone interact. energy: -4.637
local terms energy: -555.098454
where:
bonds (distance) C4'-P energy: -102.057
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -130.842
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -137.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1595.091201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.091201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.091201 (E_RNA)
where:
Base-Base interactions energy: -1057.800
where: short stacking energy: -486.949
Base-Backbone interact. energy: -1.204
local terms energy: -536.087098
where:
bonds (distance) C4'-P energy: -101.270
bonds (distance) P-C4' energy: -125.269
flat angles C4'-P-C4' energy: -119.675
flat angles P-C4'-P energy: -65.329
tors. eta vs tors. theta energy: -124.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1253.612847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.612847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.612847 (E_RNA)
where:
Base-Base interactions energy: -762.291
where: short stacking energy: -371.641
Base-Backbone interact. energy: -0.132
local terms energy: -491.190549
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -108.254
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -71.335
tors. eta vs tors. theta energy: -81.416
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: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1048.369587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.369587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.369587 (E_RNA)
where:
Base-Base interactions energy: -632.520
where: short stacking energy: -289.499
Base-Backbone interact. energy: -1.088
local terms energy: -414.761655
where:
bonds (distance) C4'-P energy: -103.200
bonds (distance) P-C4' energy: -118.175
flat angles C4'-P-C4' energy: -94.506
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -39.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -858.429442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.429442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.429442 (E_RNA)
where:
Base-Base interactions energy: -491.647
where: short stacking energy: -243.210
Base-Backbone interact. energy: 4.410
local terms energy: -371.192072
where:
bonds (distance) C4'-P energy: -88.683
bonds (distance) P-C4' energy: -103.830
flat angles C4'-P-C4' energy: -97.771
flat angles P-C4'-P energy: -71.920
tors. eta vs tors. theta energy: -8.988
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: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -506.123352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.123352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.123352 (E_RNA)
where:
Base-Base interactions energy: -207.964
where: short stacking energy: -150.649
Base-Backbone interact. energy: 13.688
local terms energy: -311.847710
where:
bonds (distance) C4'-P energy: -103.416
bonds (distance) P-C4' energy: -93.333
flat angles C4'-P-C4' energy: -90.221
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: 12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2192.320897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.320897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.320897 (E_RNA)
where:
Base-Base interactions energy: -1482.883
where: short stacking energy: -668.322
Base-Backbone interact. energy: -1.404
local terms energy: -708.034559
where:
bonds (distance) C4'-P energy: -122.488
bonds (distance) P-C4' energy: -129.218
flat angles C4'-P-C4' energy: -144.057
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -216.586
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: 410
Temperature: 0.950000
Total energy: -2093.340005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.340005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.340005 (E_RNA)
where:
Base-Base interactions energy: -1440.222
where: short stacking energy: -607.840
Base-Backbone interact. energy: -4.116
local terms energy: -649.001531
where:
bonds (distance) C4'-P energy: -120.602
bonds (distance) P-C4' energy: -115.994
flat angles C4'-P-C4' energy: -141.007
flat angles P-C4'-P energy: -93.485
tors. eta vs tors. theta energy: -177.915
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: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2031.023296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.023296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.023296 (E_RNA)
where:
Base-Base interactions energy: -1407.485
where: short stacking energy: -567.729
Base-Backbone interact. energy: -5.535
local terms energy: -618.002972
where:
bonds (distance) C4'-P energy: -112.752
bonds (distance) P-C4' energy: -130.241
flat angles C4'-P-C4' energy: -134.280
flat angles P-C4'-P energy: -81.089
tors. eta vs tors. theta energy: -159.642
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: 410
Temperature: 1.050000
Total energy: -1873.178206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.178206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.178206 (E_RNA)
where:
Base-Base interactions energy: -1312.005
where: short stacking energy: -531.857
Base-Backbone interact. energy: -3.955
local terms energy: -557.218621
where:
bonds (distance) C4'-P energy: -96.960
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -143.002
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -129.757
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: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1739.441143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.441143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.441143 (E_RNA)
where:
Base-Base interactions energy: -1169.436
where: short stacking energy: -534.402
Base-Backbone interact. energy: -3.241
local terms energy: -566.764544
where:
bonds (distance) C4'-P energy: -104.715
bonds (distance) P-C4' energy: -110.806
flat angles C4'-P-C4' energy: -122.397
flat angles P-C4'-P energy: -82.836
tors. eta vs tors. theta energy: -146.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1497.955731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.955731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.955731 (E_RNA)
where:
Base-Base interactions energy: -939.382
where: short stacking energy: -412.878
Base-Backbone interact. energy: -2.201
local terms energy: -556.372212
where:
bonds (distance) C4'-P energy: -117.361
bonds (distance) P-C4' energy: -117.188
flat angles C4'-P-C4' energy: -126.365
flat angles P-C4'-P energy: -93.194
tors. eta vs tors. theta energy: -102.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1266.902989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.902989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.902989 (E_RNA)
where:
Base-Base interactions energy: -753.179
where: short stacking energy: -374.265
Base-Backbone interact. energy: -0.398
local terms energy: -513.325423
where:
bonds (distance) C4'-P energy: -104.456
bonds (distance) P-C4' energy: -120.552
flat angles C4'-P-C4' energy: -126.937
flat angles P-C4'-P energy: -77.589
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1064.924328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.924328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.924328 (E_RNA)
where:
Base-Base interactions energy: -636.828
where: short stacking energy: -300.305
Base-Backbone interact. energy: 3.276
local terms energy: -431.372557
where:
bonds (distance) C4'-P energy: -96.292
bonds (distance) P-C4' energy: -107.012
flat angles C4'-P-C4' energy: -109.735
flat angles P-C4'-P energy: -70.756
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -862.973848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.973848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.973848 (E_RNA)
where:
Base-Base interactions energy: -455.550
where: short stacking energy: -240.667
Base-Backbone interact. energy: -0.144
local terms energy: -407.280313
where:
bonds (distance) C4'-P energy: -100.348
bonds (distance) P-C4' energy: -123.783
flat angles C4'-P-C4' energy: -104.148
flat angles P-C4'-P energy: -53.814
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -477.038382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.038382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.038382 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -128.611
Base-Backbone interact. energy: 3.372
local terms energy: -323.785071
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -88.620
flat angles P-C4'-P energy: -58.313
tors. eta vs tors. theta energy: 18.494
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: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2181.440898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.440898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.440898 (E_RNA)
where:
Base-Base interactions energy: -1479.390
where: short stacking energy: -674.863
Base-Backbone interact. energy: -4.427
local terms energy: -697.623705
where:
bonds (distance) C4'-P energy: -119.238
bonds (distance) P-C4' energy: -122.800
flat angles C4'-P-C4' energy: -141.383
flat angles P-C4'-P energy: -99.036
tors. eta vs tors. theta energy: -215.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2098.747026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.747026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.747026 (E_RNA)
where:
Base-Base interactions energy: -1441.912
where: short stacking energy: -607.379
Base-Backbone interact. energy: -3.036
local terms energy: -653.799091
where:
bonds (distance) C4'-P energy: -116.848
bonds (distance) P-C4' energy: -134.836
flat angles C4'-P-C4' energy: -130.095
flat angles P-C4'-P energy: -97.460
tors. eta vs tors. theta energy: -174.560
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: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1995.595171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.595171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.595171 (E_RNA)
where:
Base-Base interactions energy: -1368.161
where: short stacking energy: -568.422
Base-Backbone interact. energy: -6.554
local terms energy: -620.880005
where:
bonds (distance) C4'-P energy: -125.527
bonds (distance) P-C4' energy: -134.230
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -69.567
tors. eta vs tors. theta energy: -157.855
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: 411
Temperature: 1.050000
Total energy: -1849.991198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.991198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.991198 (E_RNA)
where:
Base-Base interactions energy: -1286.026
where: short stacking energy: -521.442
Base-Backbone interact. energy: -5.852
local terms energy: -558.113236
where:
bonds (distance) C4'-P energy: -124.824
bonds (distance) P-C4' energy: -100.795
flat angles C4'-P-C4' energy: -127.993
flat angles P-C4'-P energy: -68.845
tors. eta vs tors. theta energy: -135.655
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1730.545158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.545158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.545158 (E_RNA)
where:
Base-Base interactions energy: -1173.075
where: short stacking energy: -488.407
Base-Backbone interact. energy: 0.563
local terms energy: -558.033561
where:
bonds (distance) C4'-P energy: -124.494
bonds (distance) P-C4' energy: -115.280
flat angles C4'-P-C4' energy: -119.839
flat angles P-C4'-P energy: -73.336
tors. eta vs tors. theta energy: -125.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1531.463365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.463365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.463365 (E_RNA)
where:
Base-Base interactions energy: -987.514
where: short stacking energy: -449.896
Base-Backbone interact. energy: -0.363
local terms energy: -543.586854
where:
bonds (distance) C4'-P energy: -101.535
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -125.212
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -128.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1259.864139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.864139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.864139 (E_RNA)
where:
Base-Base interactions energy: -789.644
where: short stacking energy: -383.783
Base-Backbone interact. energy: 1.925
local terms energy: -472.145617
where:
bonds (distance) C4'-P energy: -115.117
bonds (distance) P-C4' energy: -92.352
flat angles C4'-P-C4' energy: -127.182
flat angles P-C4'-P energy: -58.060
tors. eta vs tors. theta energy: -79.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -980.713418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.713418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.713418 (E_RNA)
where:
Base-Base interactions energy: -575.868
where: short stacking energy: -311.713
Base-Backbone interact. energy: 0.337
local terms energy: -405.182416
where:
bonds (distance) C4'-P energy: -97.140
bonds (distance) P-C4' energy: -131.719
flat angles C4'-P-C4' energy: -83.025
flat angles P-C4'-P energy: -56.592
tors. eta vs tors. theta energy: -36.706
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: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -860.172210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.172210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.172210 (E_RNA)
where:
Base-Base interactions energy: -470.916
where: short stacking energy: -257.944
Base-Backbone interact. energy: -3.747
local terms energy: -385.508625
where:
bonds (distance) C4'-P energy: -75.364
bonds (distance) P-C4' energy: -121.831
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -66.514
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -532.845945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.845945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.845945 (E_RNA)
where:
Base-Base interactions energy: -191.563
where: short stacking energy: -166.931
Base-Backbone interact. energy: -2.826
local terms energy: -338.457560
where:
bonds (distance) C4'-P energy: -88.399
bonds (distance) P-C4' energy: -107.131
flat angles C4'-P-C4' energy: -88.174
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: 1.073
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: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2174.471542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.471542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.471542 (E_RNA)
where:
Base-Base interactions energy: -1474.167
where: short stacking energy: -656.592
Base-Backbone interact. energy: -0.227
local terms energy: -700.077349
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -138.522
flat angles C4'-P-C4' energy: -140.981
flat angles P-C4'-P energy: -88.246
tors. eta vs tors. theta energy: -200.935
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: 412
Temperature: 0.950000
Total energy: -2091.954785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.954785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.954785 (E_RNA)
where:
Base-Base interactions energy: -1436.467
where: short stacking energy: -617.217
Base-Backbone interact. energy: -2.013
local terms energy: -653.475215
where:
bonds (distance) C4'-P energy: -102.051
bonds (distance) P-C4' energy: -136.315
flat angles C4'-P-C4' energy: -138.080
flat angles P-C4'-P energy: -96.670
tors. eta vs tors. theta energy: -180.359
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: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2007.436593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.436593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.436593 (E_RNA)
where:
Base-Base interactions energy: -1385.705
where: short stacking energy: -567.490
Base-Backbone interact. energy: -7.536
local terms energy: -614.195792
where:
bonds (distance) C4'-P energy: -117.811
bonds (distance) P-C4' energy: -116.945
flat angles C4'-P-C4' energy: -127.219
flat angles P-C4'-P energy: -87.467
tors. eta vs tors. theta energy: -164.754
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: 412
Temperature: 1.050000
Total energy: -1877.787939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.787939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.787939 (E_RNA)
where:
Base-Base interactions energy: -1279.721
where: short stacking energy: -516.212
Base-Backbone interact. energy: 0.777
local terms energy: -598.844370
where:
bonds (distance) C4'-P energy: -123.032
bonds (distance) P-C4' energy: -122.110
flat angles C4'-P-C4' energy: -128.641
flat angles P-C4'-P energy: -76.761
tors. eta vs tors. theta energy: -148.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1758.499748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.499748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.499748 (E_RNA)
where:
Base-Base interactions energy: -1207.128
where: short stacking energy: -509.628
Base-Backbone interact. energy: -0.521
local terms energy: -550.850894
where:
bonds (distance) C4'-P energy: -106.622
bonds (distance) P-C4' energy: -113.178
flat angles C4'-P-C4' energy: -124.986
flat angles P-C4'-P energy: -70.543
tors. eta vs tors. theta energy: -135.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1572.776184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.776184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.776184 (E_RNA)
where:
Base-Base interactions energy: -1037.721
where: short stacking energy: -437.626
Base-Backbone interact. energy: -3.675
local terms energy: -531.380322
where:
bonds (distance) C4'-P energy: -98.402
bonds (distance) P-C4' energy: -111.160
flat angles C4'-P-C4' energy: -128.235
flat angles P-C4'-P energy: -74.901
tors. eta vs tors. theta energy: -118.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1282.576755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.576755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.576755 (E_RNA)
where:
Base-Base interactions energy: -845.961
where: short stacking energy: -383.508
Base-Backbone interact. energy: 0.298
local terms energy: -436.913251
where:
bonds (distance) C4'-P energy: -108.191
bonds (distance) P-C4' energy: -94.587
flat angles C4'-P-C4' energy: -99.912
flat angles P-C4'-P energy: -59.875
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: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -995.327080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.327080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.327080 (E_RNA)
where:
Base-Base interactions energy: -611.152
where: short stacking energy: -327.225
Base-Backbone interact. energy: 5.423
local terms energy: -389.598694
where:
bonds (distance) C4'-P energy: -105.433
bonds (distance) P-C4' energy: -108.508
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -53.369
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -890.150703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.150703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.150703 (E_RNA)
where:
Base-Base interactions energy: -509.461
where: short stacking energy: -248.964
Base-Backbone interact. energy: 1.177
local terms energy: -381.866879
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -101.739
flat angles C4'-P-C4' energy: -87.071
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -27.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -487.312709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.312709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.312709 (E_RNA)
where:
Base-Base interactions energy: -150.328
where: short stacking energy: -119.719
Base-Backbone interact. energy: -2.455
local terms energy: -334.529324
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -118.989
flat angles C4'-P-C4' energy: -88.096
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: 14.958
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: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2167.602816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.602816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.602816 (E_RNA)
where:
Base-Base interactions energy: -1486.018
where: short stacking energy: -666.040
Base-Backbone interact. energy: -4.263
local terms energy: -677.321667
where:
bonds (distance) C4'-P energy: -120.059
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -96.488
tors. eta vs tors. theta energy: -200.233
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: 413
Temperature: 0.950000
Total energy: -2097.571763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.571763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.571763 (E_RNA)
where:
Base-Base interactions energy: -1430.415
where: short stacking energy: -594.831
Base-Backbone interact. energy: -5.450
local terms energy: -661.707029
where:
bonds (distance) C4'-P energy: -124.139
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -142.596
flat angles P-C4'-P energy: -94.961
tors. eta vs tors. theta energy: -178.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2009.232906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.232906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.232906 (E_RNA)
where:
Base-Base interactions energy: -1400.513
where: short stacking energy: -583.244
Base-Backbone interact. energy: -5.030
local terms energy: -603.689792
where:
bonds (distance) C4'-P energy: -102.797
bonds (distance) P-C4' energy: -125.128
flat angles C4'-P-C4' energy: -142.725
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -152.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1868.488861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.488861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.488861 (E_RNA)
where:
Base-Base interactions energy: -1290.083
where: short stacking energy: -529.716
Base-Backbone interact. energy: -0.333
local terms energy: -578.073387
where:
bonds (distance) C4'-P energy: -99.350
bonds (distance) P-C4' energy: -140.017
flat angles C4'-P-C4' energy: -132.886
flat angles P-C4'-P energy: -71.084
tors. eta vs tors. theta energy: -134.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1738.973433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.973433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.973433 (E_RNA)
where:
Base-Base interactions energy: -1165.223
where: short stacking energy: -491.004
Base-Backbone interact. energy: -0.175
local terms energy: -573.575300
where:
bonds (distance) C4'-P energy: -107.967
bonds (distance) P-C4' energy: -125.625
flat angles C4'-P-C4' energy: -127.873
flat angles P-C4'-P energy: -67.891
tors. eta vs tors. theta energy: -144.219
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1513.895183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.895183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.895183 (E_RNA)
where:
Base-Base interactions energy: -1017.549
where: short stacking energy: -441.043
Base-Backbone interact. energy: 0.162
local terms energy: -496.507523
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -96.437
flat angles C4'-P-C4' energy: -117.280
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: -112.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1238.726993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.726993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.726993 (E_RNA)
where:
Base-Base interactions energy: -768.437
where: short stacking energy: -365.578
Base-Backbone interact. energy: -5.138
local terms energy: -465.151631
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -117.291
flat angles C4'-P-C4' energy: -115.173
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -71.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1009.293806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.293806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.293806 (E_RNA)
where:
Base-Base interactions energy: -581.104
where: short stacking energy: -333.314
Base-Backbone interact. energy: -0.622
local terms energy: -427.568322
where:
bonds (distance) C4'-P energy: -91.890
bonds (distance) P-C4' energy: -118.983
flat angles C4'-P-C4' energy: -95.733
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -54.261
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: 413
Temperature: 1.300000
Total energy: -838.979336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.979336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.979336 (E_RNA)
where:
Base-Base interactions energy: -435.044
where: short stacking energy: -220.552
Base-Backbone interact. energy: 0.730
local terms energy: -404.665138
where:
bonds (distance) C4'-P energy: -100.442
bonds (distance) P-C4' energy: -110.810
flat angles C4'-P-C4' energy: -111.164
flat angles P-C4'-P energy: -68.776
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -491.321208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.321208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.321208 (E_RNA)
where:
Base-Base interactions energy: -181.663
where: short stacking energy: -148.628
Base-Backbone interact. energy: 3.302
local terms energy: -312.960314
where:
bonds (distance) C4'-P energy: -96.764
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -80.620
flat angles P-C4'-P energy: -33.974
tors. eta vs tors. theta energy: 8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2184.123689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.123689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.123689 (E_RNA)
where:
Base-Base interactions energy: -1476.271
where: short stacking energy: -647.332
Base-Backbone interact. energy: -0.701
local terms energy: -707.151718
where:
bonds (distance) C4'-P energy: -119.046
bonds (distance) P-C4' energy: -134.550
flat angles C4'-P-C4' energy: -148.533
flat angles P-C4'-P energy: -98.533
tors. eta vs tors. theta energy: -206.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2110.777315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.777315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.777315 (E_RNA)
where:
Base-Base interactions energy: -1484.298
where: short stacking energy: -630.098
Base-Backbone interact. energy: -1.995
local terms energy: -624.484935
where:
bonds (distance) C4'-P energy: -104.277
bonds (distance) P-C4' energy: -125.721
flat angles C4'-P-C4' energy: -132.533
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -176.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1998.344682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.344682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.344682 (E_RNA)
where:
Base-Base interactions energy: -1355.911
where: short stacking energy: -565.251
Base-Backbone interact. energy: -6.117
local terms energy: -636.316061
where:
bonds (distance) C4'-P energy: -129.349
bonds (distance) P-C4' energy: -130.633
flat angles C4'-P-C4' energy: -116.589
flat angles P-C4'-P energy: -98.009
tors. eta vs tors. theta energy: -161.735
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: 414
Temperature: 1.050000
Total energy: -1879.413125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.413125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.413125 (E_RNA)
where:
Base-Base interactions energy: -1306.723
where: short stacking energy: -528.368
Base-Backbone interact. energy: -2.409
local terms energy: -570.281036
where:
bonds (distance) C4'-P energy: -110.442
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -126.742
flat angles P-C4'-P energy: -83.735
tors. eta vs tors. theta energy: -138.636
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: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1711.757626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.757626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.757626 (E_RNA)
where:
Base-Base interactions energy: -1163.626
where: short stacking energy: -512.792
Base-Backbone interact. energy: -3.416
local terms energy: -544.715894
where:
bonds (distance) C4'-P energy: -108.272
bonds (distance) P-C4' energy: -103.339
flat angles C4'-P-C4' energy: -126.180
flat angles P-C4'-P energy: -77.027
tors. eta vs tors. theta energy: -129.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1552.828386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.828386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.828386 (E_RNA)
where:
Base-Base interactions energy: -996.566
where: short stacking energy: -481.376
Base-Backbone interact. energy: -0.798
local terms energy: -555.464339
where:
bonds (distance) C4'-P energy: -103.675
bonds (distance) P-C4' energy: -113.448
flat angles C4'-P-C4' energy: -125.347
flat angles P-C4'-P energy: -79.747
tors. eta vs tors. theta energy: -133.249
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: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1247.370917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.370917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.370917 (E_RNA)
where:
Base-Base interactions energy: -761.715
where: short stacking energy: -367.473
Base-Backbone interact. energy: 6.229
local terms energy: -491.884868
where:
bonds (distance) C4'-P energy: -93.927
bonds (distance) P-C4' energy: -123.848
flat angles C4'-P-C4' energy: -113.675
flat angles P-C4'-P energy: -70.774
tors. eta vs tors. theta energy: -89.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1041.075459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.075459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.075459 (E_RNA)
where:
Base-Base interactions energy: -647.703
where: short stacking energy: -320.589
Base-Backbone interact. energy: -4.342
local terms energy: -389.030920
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -98.567
flat angles C4'-P-C4' energy: -97.022
flat angles P-C4'-P energy: -55.175
tors. eta vs tors. theta energy: -46.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -924.403974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.403974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.403974 (E_RNA)
where:
Base-Base interactions energy: -534.500
where: short stacking energy: -256.008
Base-Backbone interact. energy: -0.464
local terms energy: -389.440591
where:
bonds (distance) C4'-P energy: -106.933
bonds (distance) P-C4' energy: -105.402
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -57.914
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -524.580758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.580758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.580758 (E_RNA)
where:
Base-Base interactions energy: -217.706
where: short stacking energy: -159.520
Base-Backbone interact. energy: 6.050
local terms energy: -312.923995
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -116.930
flat angles C4'-P-C4' energy: -100.813
flat angles P-C4'-P energy: -45.509
tors. eta vs tors. theta energy: 37.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2189.493209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.493209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.493209 (E_RNA)
where:
Base-Base interactions energy: -1482.066
where: short stacking energy: -647.927
Base-Backbone interact. energy: -1.345
local terms energy: -706.081539
where:
bonds (distance) C4'-P energy: -127.208
bonds (distance) P-C4' energy: -123.054
flat angles C4'-P-C4' energy: -151.711
flat angles P-C4'-P energy: -102.358
tors. eta vs tors. theta energy: -201.752
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2093.407928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.407928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.407928 (E_RNA)
where:
Base-Base interactions energy: -1422.051
where: short stacking energy: -594.150
Base-Backbone interact. energy: -2.211
local terms energy: -669.146378
where:
bonds (distance) C4'-P energy: -126.375
bonds (distance) P-C4' energy: -124.378
flat angles C4'-P-C4' energy: -139.231
flat angles P-C4'-P energy: -98.115
tors. eta vs tors. theta energy: -181.047
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2023.580296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.580296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.580296 (E_RNA)
where:
Base-Base interactions energy: -1409.971
where: short stacking energy: -581.886
Base-Backbone interact. energy: -3.936
local terms energy: -609.673221
where:
bonds (distance) C4'-P energy: -112.277
bonds (distance) P-C4' energy: -109.048
flat angles C4'-P-C4' energy: -129.543
flat angles P-C4'-P energy: -89.391
tors. eta vs tors. theta energy: -169.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1899.687076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.687076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.687076 (E_RNA)
where:
Base-Base interactions energy: -1339.830
where: short stacking energy: -536.505
Base-Backbone interact. energy: 3.115
local terms energy: -562.972236
where:
bonds (distance) C4'-P energy: -113.242
bonds (distance) P-C4' energy: -109.800
flat angles C4'-P-C4' energy: -126.567
flat angles P-C4'-P energy: -78.737
tors. eta vs tors. theta energy: -134.626
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: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1742.507687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.507687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.507687 (E_RNA)
where:
Base-Base interactions energy: -1170.799
where: short stacking energy: -508.917
Base-Backbone interact. energy: -1.745
local terms energy: -569.964400
where:
bonds (distance) C4'-P energy: -109.414
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -123.685
flat angles P-C4'-P energy: -81.451
tors. eta vs tors. theta energy: -145.178
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: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1492.245929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.245929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.245929 (E_RNA)
where:
Base-Base interactions energy: -963.201
where: short stacking energy: -455.265
Base-Backbone interact. energy: -1.020
local terms energy: -528.024856
where:
bonds (distance) C4'-P energy: -102.329
bonds (distance) P-C4' energy: -107.537
flat angles C4'-P-C4' energy: -111.372
flat angles P-C4'-P energy: -89.787
tors. eta vs tors. theta energy: -117.000
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: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1288.261214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.261214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.261214 (E_RNA)
where:
Base-Base interactions energy: -772.042
where: short stacking energy: -396.742
Base-Backbone interact. energy: -1.452
local terms energy: -514.767156
where:
bonds (distance) C4'-P energy: -98.744
bonds (distance) P-C4' energy: -115.116
flat angles C4'-P-C4' energy: -111.726
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -98.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1011.288311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.288311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.288311 (E_RNA)
where:
Base-Base interactions energy: -574.077
where: short stacking energy: -287.758
Base-Backbone interact. energy: -3.264
local terms energy: -433.947580
where:
bonds (distance) C4'-P energy: -95.843
bonds (distance) P-C4' energy: -110.797
flat angles C4'-P-C4' energy: -116.132
flat angles P-C4'-P energy: -66.567
tors. eta vs tors. theta energy: -44.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -894.861466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.861466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.861466 (E_RNA)
where:
Base-Base interactions energy: -511.744
where: short stacking energy: -269.551
Base-Backbone interact. energy: 1.068
local terms energy: -384.185414
where:
bonds (distance) C4'-P energy: -104.301
bonds (distance) P-C4' energy: -116.317
flat angles C4'-P-C4' energy: -92.833
flat angles P-C4'-P energy: -53.050
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -536.025111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.025111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.025111 (E_RNA)
where:
Base-Base interactions energy: -220.401
where: short stacking energy: -154.298
Base-Backbone interact. energy: 1.317
local terms energy: -316.941218
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -86.786
flat angles C4'-P-C4' energy: -78.803
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: 8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2170.289262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.289262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.289262 (E_RNA)
where:
Base-Base interactions energy: -1478.166
where: short stacking energy: -658.736
Base-Backbone interact. energy: -5.344
local terms energy: -686.779364
where:
bonds (distance) C4'-P energy: -128.478
bonds (distance) P-C4' energy: -120.483
flat angles C4'-P-C4' energy: -145.873
flat angles P-C4'-P energy: -96.725
tors. eta vs tors. theta energy: -195.222
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: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2135.844919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.844919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.844919 (E_RNA)
where:
Base-Base interactions energy: -1459.678
where: short stacking energy: -630.029
Base-Backbone interact. energy: 0.130
local terms energy: -676.296921
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -115.813
flat angles C4'-P-C4' energy: -141.229
flat angles P-C4'-P energy: -104.724
tors. eta vs tors. theta energy: -199.829
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: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2028.840323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.840323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.840323 (E_RNA)
where:
Base-Base interactions energy: -1396.266
where: short stacking energy: -576.612
Base-Backbone interact. energy: -0.975
local terms energy: -631.599035
where:
bonds (distance) C4'-P energy: -115.707
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -134.829
flat angles P-C4'-P energy: -77.384
tors. eta vs tors. theta energy: -165.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1867.736082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.736082 (E_RNA)
where:
Base-Base interactions energy: -1314.719
where: short stacking energy: -531.885
Base-Backbone interact. energy: -4.224
local terms energy: -548.793388
where:
bonds (distance) C4'-P energy: -109.266
bonds (distance) P-C4' energy: -98.548
flat angles C4'-P-C4' energy: -126.108
flat angles P-C4'-P energy: -85.026
tors. eta vs tors. theta energy: -129.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1711.068713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.068713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.068713 (E_RNA)
where:
Base-Base interactions energy: -1161.964
where: short stacking energy: -518.890
Base-Backbone interact. energy: -1.250
local terms energy: -547.855297
where:
bonds (distance) C4'-P energy: -117.427
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -123.428
flat angles P-C4'-P energy: -82.316
tors. eta vs tors. theta energy: -132.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1494.421438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.421438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.421438 (E_RNA)
where:
Base-Base interactions energy: -940.700
where: short stacking energy: -459.032
Base-Backbone interact. energy: -0.012
local terms energy: -553.709013
where:
bonds (distance) C4'-P energy: -105.351
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -128.896
flat angles P-C4'-P energy: -85.677
tors. eta vs tors. theta energy: -120.775
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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1315.170912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.170912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.170912 (E_RNA)
where:
Base-Base interactions energy: -817.942
where: short stacking energy: -365.443
Base-Backbone interact. energy: -1.876
local terms energy: -495.352513
where:
bonds (distance) C4'-P energy: -108.206
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -105.381
flat angles P-C4'-P energy: -66.998
tors. eta vs tors. theta energy: -94.630
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: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -975.824307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.824307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.824307 (E_RNA)
where:
Base-Base interactions energy: -564.925
where: short stacking energy: -310.186
Base-Backbone interact. energy: 0.140
local terms energy: -411.039984
where:
bonds (distance) C4'-P energy: -111.452
bonds (distance) P-C4' energy: -93.120
flat angles C4'-P-C4' energy: -119.002
flat angles P-C4'-P energy: -52.653
tors. eta vs tors. theta energy: -34.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -906.131142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.131142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.131142 (E_RNA)
where:
Base-Base interactions energy: -522.294
where: short stacking energy: -244.506
Base-Backbone interact. energy: 3.260
local terms energy: -387.096421
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -109.164
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -58.820
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -518.328344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.328344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.328344 (E_RNA)
where:
Base-Base interactions energy: -188.041
where: short stacking energy: -142.207
Base-Backbone interact. energy: -2.656
local terms energy: -327.631801
where:
bonds (distance) C4'-P energy: -95.369
bonds (distance) P-C4' energy: -105.914
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: 16.971
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: 417
Temperature: 0.900000
Total energy: -2151.253362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.253362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.253362 (E_RNA)
where:
Base-Base interactions energy: -1477.786
where: short stacking energy: -639.637
Base-Backbone interact. energy: -3.829
local terms energy: -669.638563
where:
bonds (distance) C4'-P energy: -124.628
bonds (distance) P-C4' energy: -118.123
flat angles C4'-P-C4' energy: -144.070
flat angles P-C4'-P energy: -97.902
tors. eta vs tors. theta energy: -184.916
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: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2125.141605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.141605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.141605 (E_RNA)
where:
Base-Base interactions energy: -1435.383
where: short stacking energy: -646.041
Base-Backbone interact. energy: -2.117
local terms energy: -687.641497
where:
bonds (distance) C4'-P energy: -120.645
bonds (distance) P-C4' energy: -122.005
flat angles C4'-P-C4' energy: -158.025
flat angles P-C4'-P energy: -86.991
tors. eta vs tors. theta energy: -199.975
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: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2012.658669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.658669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.658669 (E_RNA)
where:
Base-Base interactions energy: -1394.672
where: short stacking energy: -568.675
Base-Backbone interact. energy: 3.193
local terms energy: -621.179999
where:
bonds (distance) C4'-P energy: -120.199
bonds (distance) P-C4' energy: -125.229
flat angles C4'-P-C4' energy: -137.827
flat angles P-C4'-P energy: -72.033
tors. eta vs tors. theta energy: -165.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1901.264778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.264778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.264778 (E_RNA)
where:
Base-Base interactions energy: -1353.348
where: short stacking energy: -549.912
Base-Backbone interact. energy: -1.350
local terms energy: -546.566676
where:
bonds (distance) C4'-P energy: -107.000
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -117.650
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -132.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1701.198973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.198973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.198973 (E_RNA)
where:
Base-Base interactions energy: -1127.496
where: short stacking energy: -471.626
Base-Backbone interact. energy: -3.911
local terms energy: -569.792220
where:
bonds (distance) C4'-P energy: -113.043
bonds (distance) P-C4' energy: -112.218
flat angles C4'-P-C4' energy: -127.901
flat angles P-C4'-P energy: -86.252
tors. eta vs tors. theta energy: -130.378
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1497.080727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.080727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.080727 (E_RNA)
where:
Base-Base interactions energy: -968.088
where: short stacking energy: -440.254
Base-Backbone interact. energy: -2.739
local terms energy: -526.253163
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -107.833
flat angles C4'-P-C4' energy: -119.443
flat angles P-C4'-P energy: -80.138
tors. eta vs tors. theta energy: -111.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1313.110908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.110908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.110908 (E_RNA)
where:
Base-Base interactions energy: -807.538
where: short stacking energy: -404.743
Base-Backbone interact. energy: -0.425
local terms energy: -505.148300
where:
bonds (distance) C4'-P energy: -103.592
bonds (distance) P-C4' energy: -118.573
flat angles C4'-P-C4' energy: -125.029
flat angles P-C4'-P energy: -70.152
tors. eta vs tors. theta energy: -87.802
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -993.559775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.559775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.559775 (E_RNA)
where:
Base-Base interactions energy: -597.548
where: short stacking energy: -289.669
Base-Backbone interact. energy: -2.389
local terms energy: -393.623435
where:
bonds (distance) C4'-P energy: -92.773
bonds (distance) P-C4' energy: -116.009
flat angles C4'-P-C4' energy: -101.761
flat angles P-C4'-P energy: -51.841
tors. eta vs tors. theta energy: -31.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -914.162898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.162898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.162898 (E_RNA)
where:
Base-Base interactions energy: -514.162
where: short stacking energy: -267.385
Base-Backbone interact. energy: -2.451
local terms energy: -397.549546
where:
bonds (distance) C4'-P energy: -107.601
bonds (distance) P-C4' energy: -99.994
flat angles C4'-P-C4' energy: -88.943
flat angles P-C4'-P energy: -69.031
tors. eta vs tors. theta energy: -31.980
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: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -508.932120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.932120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.932120 (E_RNA)
where:
Base-Base interactions energy: -180.460
where: short stacking energy: -141.103
Base-Backbone interact. energy: -2.447
local terms energy: -326.024683
where:
bonds (distance) C4'-P energy: -108.214
bonds (distance) P-C4' energy: -112.209
flat angles C4'-P-C4' energy: -87.814
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: 26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2141.078315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.078315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.078315 (E_RNA)
where:
Base-Base interactions energy: -1480.248
where: short stacking energy: -620.606
Base-Backbone interact. energy: -3.049
local terms energy: -657.781356
where:
bonds (distance) C4'-P energy: -116.943
bonds (distance) P-C4' energy: -118.282
flat angles C4'-P-C4' energy: -141.735
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -185.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2121.161204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.161204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.161204 (E_RNA)
where:
Base-Base interactions energy: -1432.121
where: short stacking energy: -637.629
Base-Backbone interact. energy: -2.469
local terms energy: -686.571830
where:
bonds (distance) C4'-P energy: -131.891
bonds (distance) P-C4' energy: -107.840
flat angles C4'-P-C4' energy: -150.440
flat angles P-C4'-P energy: -103.674
tors. eta vs tors. theta energy: -192.727
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: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2025.786213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.786213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.786213 (E_RNA)
where:
Base-Base interactions energy: -1400.321
where: short stacking energy: -574.124
Base-Backbone interact. energy: -0.983
local terms energy: -624.481611
where:
bonds (distance) C4'-P energy: -123.845
bonds (distance) P-C4' energy: -124.540
flat angles C4'-P-C4' energy: -141.963
flat angles P-C4'-P energy: -73.799
tors. eta vs tors. theta energy: -160.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1899.653366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.653366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.653366 (E_RNA)
where:
Base-Base interactions energy: -1336.624
where: short stacking energy: -530.232
Base-Backbone interact. energy: -2.212
local terms energy: -560.816948
where:
bonds (distance) C4'-P energy: -123.667
bonds (distance) P-C4' energy: -107.894
flat angles C4'-P-C4' energy: -120.803
flat angles P-C4'-P energy: -72.409
tors. eta vs tors. theta energy: -136.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1663.507608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.507608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.507608 (E_RNA)
where:
Base-Base interactions energy: -1103.774
where: short stacking energy: -468.381
Base-Backbone interact. energy: -0.578
local terms energy: -559.155839
where:
bonds (distance) C4'-P energy: -100.787
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -128.566
flat angles P-C4'-P energy: -93.280
tors. eta vs tors. theta energy: -120.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1550.096233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.096233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.096233 (E_RNA)
where:
Base-Base interactions energy: -1002.687
where: short stacking energy: -460.985
Base-Backbone interact. energy: -0.392
local terms energy: -547.017638
where:
bonds (distance) C4'-P energy: -113.618
bonds (distance) P-C4' energy: -117.387
flat angles C4'-P-C4' energy: -126.524
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -112.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1265.175277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.175277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.175277 (E_RNA)
where:
Base-Base interactions energy: -775.319
where: short stacking energy: -375.279
Base-Backbone interact. energy: 1.011
local terms energy: -490.867428
where:
bonds (distance) C4'-P energy: -109.784
bonds (distance) P-C4' energy: -109.168
flat angles C4'-P-C4' energy: -121.877
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -81.651
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: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -945.277675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.277675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.277675 (E_RNA)
where:
Base-Base interactions energy: -536.128
where: short stacking energy: -282.722
Base-Backbone interact. energy: 0.815
local terms energy: -409.964374
where:
bonds (distance) C4'-P energy: -99.177
bonds (distance) P-C4' energy: -101.622
flat angles C4'-P-C4' energy: -102.127
flat angles P-C4'-P energy: -67.100
tors. eta vs tors. theta energy: -39.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -861.239308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.239308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.239308 (E_RNA)
where:
Base-Base interactions energy: -485.207
where: short stacking energy: -257.016
Base-Backbone interact. energy: -2.494
local terms energy: -373.538689
where:
bonds (distance) C4'-P energy: -83.879
bonds (distance) P-C4' energy: -102.241
flat angles C4'-P-C4' energy: -109.474
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -482.421287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.421287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.421287 (E_RNA)
where:
Base-Base interactions energy: -164.674
where: short stacking energy: -127.594
Base-Backbone interact. energy: -0.504
local terms energy: -317.242623
where:
bonds (distance) C4'-P energy: -103.548
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -75.463
flat angles P-C4'-P energy: -49.246
tors. eta vs tors. theta energy: 30.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2152.736116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.736116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.736116 (E_RNA)
where:
Base-Base interactions energy: -1460.415
where: short stacking energy: -609.012
Base-Backbone interact. energy: -3.205
local terms energy: -689.116105
where:
bonds (distance) C4'-P energy: -128.334
bonds (distance) P-C4' energy: -125.520
flat angles C4'-P-C4' energy: -147.392
flat angles P-C4'-P energy: -110.094
tors. eta vs tors. theta energy: -177.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2104.796862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.796862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.796862 (E_RNA)
where:
Base-Base interactions energy: -1427.955
where: short stacking energy: -627.854
Base-Backbone interact. energy: -2.579
local terms energy: -674.262161
where:
bonds (distance) C4'-P energy: -117.974
bonds (distance) P-C4' energy: -121.198
flat angles C4'-P-C4' energy: -149.748
flat angles P-C4'-P energy: -94.675
tors. eta vs tors. theta energy: -190.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2034.292002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.292002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.292002 (E_RNA)
where:
Base-Base interactions energy: -1397.702
where: short stacking energy: -573.612
Base-Backbone interact. energy: 0.033
local terms energy: -636.623096
where:
bonds (distance) C4'-P energy: -128.123
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -143.961
flat angles P-C4'-P energy: -85.817
tors. eta vs tors. theta energy: -158.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1901.571646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.571646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.571646 (E_RNA)
where:
Base-Base interactions energy: -1325.135
where: short stacking energy: -519.570
Base-Backbone interact. energy: -2.893
local terms energy: -573.544243
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -117.175
flat angles P-C4'-P energy: -86.273
tors. eta vs tors. theta energy: -142.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1724.891884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.891884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.891884 (E_RNA)
where:
Base-Base interactions energy: -1153.177
where: short stacking energy: -490.398
Base-Backbone interact. energy: -1.851
local terms energy: -569.864406
where:
bonds (distance) C4'-P energy: -114.769
bonds (distance) P-C4' energy: -116.710
flat angles C4'-P-C4' energy: -128.393
flat angles P-C4'-P energy: -70.731
tors. eta vs tors. theta energy: -139.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1530.725313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.725313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.725313 (E_RNA)
where:
Base-Base interactions energy: -995.285
where: short stacking energy: -424.488
Base-Backbone interact. energy: -2.110
local terms energy: -533.330440
where:
bonds (distance) C4'-P energy: -123.444
bonds (distance) P-C4' energy: -124.813
flat angles C4'-P-C4' energy: -111.253
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -113.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1254.539416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.539416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.539416 (E_RNA)
where:
Base-Base interactions energy: -775.714
where: short stacking energy: -354.978
Base-Backbone interact. energy: -0.874
local terms energy: -477.951247
where:
bonds (distance) C4'-P energy: -120.657
bonds (distance) P-C4' energy: -108.529
flat angles C4'-P-C4' energy: -114.339
flat angles P-C4'-P energy: -73.598
tors. eta vs tors. theta energy: -60.828
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -969.161404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.161404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.161404 (E_RNA)
where:
Base-Base interactions energy: -578.099
where: short stacking energy: -324.722
Base-Backbone interact. energy: -1.275
local terms energy: -389.787481
where:
bonds (distance) C4'-P energy: -80.797
bonds (distance) P-C4' energy: -90.949
flat angles C4'-P-C4' energy: -87.216
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: -69.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -819.764447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.764447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.764447 (E_RNA)
where:
Base-Base interactions energy: -466.068
where: short stacking energy: -252.888
Base-Backbone interact. energy: -0.447
local terms energy: -353.250037
where:
bonds (distance) C4'-P energy: -96.889
bonds (distance) P-C4' energy: -103.820
flat angles C4'-P-C4' energy: -85.328
flat angles P-C4'-P energy: -49.541
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -509.598198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.598198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.598198 (E_RNA)
where:
Base-Base interactions energy: -179.959
where: short stacking energy: -144.310
Base-Backbone interact. energy: -5.026
local terms energy: -324.612972
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -111.962
flat angles C4'-P-C4' energy: -85.701
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: 24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2149.411055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.411055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.411055 (E_RNA)
where:
Base-Base interactions energy: -1474.309
where: short stacking energy: -643.658
Base-Backbone interact. energy: -3.781
local terms energy: -671.321357
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -125.679
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -94.441
tors. eta vs tors. theta energy: -191.934
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: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2120.068672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.068672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.068672 (E_RNA)
where:
Base-Base interactions energy: -1446.706
where: short stacking energy: -637.703
Base-Backbone interact. energy: -1.570
local terms energy: -671.792537
where:
bonds (distance) C4'-P energy: -121.389
bonds (distance) P-C4' energy: -106.739
flat angles C4'-P-C4' energy: -148.951
flat angles P-C4'-P energy: -99.608
tors. eta vs tors. theta energy: -195.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2044.142908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.142908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.142908 (E_RNA)
where:
Base-Base interactions energy: -1403.355
where: short stacking energy: -592.995
Base-Backbone interact. energy: -5.169
local terms energy: -635.618871
where:
bonds (distance) C4'-P energy: -114.262
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -139.840
flat angles P-C4'-P energy: -100.722
tors. eta vs tors. theta energy: -155.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1972.440014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.440014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.440014 (E_RNA)
where:
Base-Base interactions energy: -1350.956
where: short stacking energy: -551.581
Base-Backbone interact. energy: -4.433
local terms energy: -617.050793
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -117.008
flat angles C4'-P-C4' energy: -142.477
flat angles P-C4'-P energy: -87.974
tors. eta vs tors. theta energy: -142.432
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: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1751.369453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.369453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.369453 (E_RNA)
where:
Base-Base interactions energy: -1143.455
where: short stacking energy: -506.925
Base-Backbone interact. energy: -1.806
local terms energy: -606.108034
where:
bonds (distance) C4'-P energy: -109.515
bonds (distance) P-C4' energy: -133.944
flat angles C4'-P-C4' energy: -128.006
flat angles P-C4'-P energy: -76.912
tors. eta vs tors. theta energy: -157.731
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: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1572.001861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.001861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.001861 (E_RNA)
where:
Base-Base interactions energy: -1038.539
where: short stacking energy: -500.196
Base-Backbone interact. energy: -0.346
local terms energy: -533.117111
where:
bonds (distance) C4'-P energy: -106.363
bonds (distance) P-C4' energy: -116.623
flat angles C4'-P-C4' energy: -98.571
flat angles P-C4'-P energy: -86.625
tors. eta vs tors. theta energy: -124.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1238.757897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.757897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.757897 (E_RNA)
where:
Base-Base interactions energy: -796.290
where: short stacking energy: -378.318
Base-Backbone interact. energy: 2.261
local terms energy: -444.729562
where:
bonds (distance) C4'-P energy: -107.105
bonds (distance) P-C4' energy: -97.544
flat angles C4'-P-C4' energy: -107.080
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -71.174
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -959.527542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.527542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.527542 (E_RNA)
where:
Base-Base interactions energy: -556.163
where: short stacking energy: -283.333
Base-Backbone interact. energy: -1.975
local terms energy: -401.389307
where:
bonds (distance) C4'-P energy: -108.029
bonds (distance) P-C4' energy: -121.484
flat angles C4'-P-C4' energy: -87.392
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -829.458361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.458361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.458361 (E_RNA)
where:
Base-Base interactions energy: -453.249
where: short stacking energy: -251.746
Base-Backbone interact. energy: 2.280
local terms energy: -378.489267
where:
bonds (distance) C4'-P energy: -121.208
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -90.449
flat angles P-C4'-P energy: -38.417
tors. eta vs tors. theta energy: -22.626
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: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -481.692041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.692041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.692041 (E_RNA)
where:
Base-Base interactions energy: -186.594
where: short stacking energy: -134.304
Base-Backbone interact. energy: -1.555
local terms energy: -293.543160
where:
bonds (distance) C4'-P energy: -79.836
bonds (distance) P-C4' energy: -110.466
flat angles C4'-P-C4' energy: -79.168
flat angles P-C4'-P energy: -41.413
tors. eta vs tors. theta energy: 17.340
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: 421
Temperature: 0.900000
Total energy: -2157.828449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.828449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.828449 (E_RNA)
where:
Base-Base interactions energy: -1493.602
where: short stacking energy: -642.514
Base-Backbone interact. energy: -2.030
local terms energy: -662.196336
where:
bonds (distance) C4'-P energy: -123.572
bonds (distance) P-C4' energy: -123.090
flat angles C4'-P-C4' energy: -135.774
flat angles P-C4'-P energy: -101.071
tors. eta vs tors. theta energy: -178.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2130.627703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.627703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.627703 (E_RNA)
where:
Base-Base interactions energy: -1430.130
where: short stacking energy: -640.681
Base-Backbone interact. energy: -2.573
local terms energy: -697.924782
where:
bonds (distance) C4'-P energy: -117.186
bonds (distance) P-C4' energy: -134.399
flat angles C4'-P-C4' energy: -147.814
flat angles P-C4'-P energy: -101.000
tors. eta vs tors. theta energy: -197.525
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: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2028.705034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.705034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.705034 (E_RNA)
where:
Base-Base interactions energy: -1428.718
where: short stacking energy: -585.331
Base-Backbone interact. energy: -3.843
local terms energy: -596.144015
where:
bonds (distance) C4'-P energy: -114.551
bonds (distance) P-C4' energy: -102.944
flat angles C4'-P-C4' energy: -141.697
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -159.822
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: 421
Temperature: 1.050000
Total energy: -1974.175519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.175519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.175519 (E_RNA)
where:
Base-Base interactions energy: -1372.399
where: short stacking energy: -550.304
Base-Backbone interact. energy: -6.235
local terms energy: -595.541402
where:
bonds (distance) C4'-P energy: -120.051
bonds (distance) P-C4' energy: -115.521
flat angles C4'-P-C4' energy: -126.624
flat angles P-C4'-P energy: -83.832
tors. eta vs tors. theta energy: -149.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1775.479187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.479187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.479187 (E_RNA)
where:
Base-Base interactions energy: -1171.988
where: short stacking energy: -522.865
Base-Backbone interact. energy: -2.684
local terms energy: -600.807304
where:
bonds (distance) C4'-P energy: -113.704
bonds (distance) P-C4' energy: -105.172
flat angles C4'-P-C4' energy: -135.078
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -151.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1513.242538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.242538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.242538 (E_RNA)
where:
Base-Base interactions energy: -977.608
where: short stacking energy: -415.309
Base-Backbone interact. energy: -1.815
local terms energy: -533.819385
where:
bonds (distance) C4'-P energy: -103.675
bonds (distance) P-C4' energy: -114.547
flat angles C4'-P-C4' energy: -127.519
flat angles P-C4'-P energy: -69.569
tors. eta vs tors. theta energy: -118.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1248.974248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.974248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.974248 (E_RNA)
where:
Base-Base interactions energy: -769.191
where: short stacking energy: -385.296
Base-Backbone interact. energy: -0.370
local terms energy: -479.412734
where:
bonds (distance) C4'-P energy: -110.220
bonds (distance) P-C4' energy: -112.107
flat angles C4'-P-C4' energy: -115.640
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -85.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -977.371438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.371438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.371438 (E_RNA)
where:
Base-Base interactions energy: -577.887
where: short stacking energy: -288.845
Base-Backbone interact. energy: 1.020
local terms energy: -400.504753
where:
bonds (distance) C4'-P energy: -108.874
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -87.744
flat angles P-C4'-P energy: -73.043
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -923.699359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.699359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.699359 (E_RNA)
where:
Base-Base interactions energy: -560.973
where: short stacking energy: -275.278
Base-Backbone interact. energy: 10.826
local terms energy: -373.552050
where:
bonds (distance) C4'-P energy: -101.613
bonds (distance) P-C4' energy: -107.981
flat angles C4'-P-C4' energy: -86.781
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -34.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -488.726491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.726491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.726491 (E_RNA)
where:
Base-Base interactions energy: -190.200
where: short stacking energy: -153.294
Base-Backbone interact. energy: -0.577
local terms energy: -297.949535
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -87.645
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: 20.327
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: 422
Temperature: 0.900000
Total energy: -2177.711575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.711575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.711575 (E_RNA)
where:
Base-Base interactions energy: -1474.590
where: short stacking energy: -612.651
Base-Backbone interact. energy: -5.295
local terms energy: -697.826666
where:
bonds (distance) C4'-P energy: -115.455
bonds (distance) P-C4' energy: -141.779
flat angles C4'-P-C4' energy: -147.100
flat angles P-C4'-P energy: -103.230
tors. eta vs tors. theta energy: -190.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2130.727675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.727675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.727675 (E_RNA)
where:
Base-Base interactions energy: -1464.694
where: short stacking energy: -652.748
Base-Backbone interact. energy: -0.836
local terms energy: -665.197356
where:
bonds (distance) C4'-P energy: -116.304
bonds (distance) P-C4' energy: -118.965
flat angles C4'-P-C4' energy: -130.106
flat angles P-C4'-P energy: -98.241
tors. eta vs tors. theta energy: -201.581
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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2033.347461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.347461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.347461 (E_RNA)
where:
Base-Base interactions energy: -1418.218
where: short stacking energy: -587.460
Base-Backbone interact. energy: -2.324
local terms energy: -612.805708
where:
bonds (distance) C4'-P energy: -101.832
bonds (distance) P-C4' energy: -137.331
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -75.090
tors. eta vs tors. theta energy: -169.498
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: 422
Temperature: 1.050000
Total energy: -1955.157732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.157732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.157732 (E_RNA)
where:
Base-Base interactions energy: -1341.285
where: short stacking energy: -560.092
Base-Backbone interact. energy: -8.293
local terms energy: -605.580327
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -123.198
flat angles C4'-P-C4' energy: -124.204
flat angles P-C4'-P energy: -89.441
tors. eta vs tors. theta energy: -158.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1723.318431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.318431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.318431 (E_RNA)
where:
Base-Base interactions energy: -1167.283
where: short stacking energy: -513.613
Base-Backbone interact. energy: 1.434
local terms energy: -557.469931
where:
bonds (distance) C4'-P energy: -109.826
bonds (distance) P-C4' energy: -104.229
flat angles C4'-P-C4' energy: -125.597
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -141.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1474.158471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.158471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.158471 (E_RNA)
where:
Base-Base interactions energy: -966.313
where: short stacking energy: -426.092
Base-Backbone interact. energy: -1.125
local terms energy: -506.720527
where:
bonds (distance) C4'-P energy: -93.169
bonds (distance) P-C4' energy: -112.008
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -89.682
tors. eta vs tors. theta energy: -100.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1286.878475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.878475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.878475 (E_RNA)
where:
Base-Base interactions energy: -797.373
where: short stacking energy: -408.152
Base-Backbone interact. energy: -2.933
local terms energy: -486.572348
where:
bonds (distance) C4'-P energy: -107.624
bonds (distance) P-C4' energy: -104.840
flat angles C4'-P-C4' energy: -115.841
flat angles P-C4'-P energy: -71.528
tors. eta vs tors. theta energy: -86.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -959.127580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.127580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.127580 (E_RNA)
where:
Base-Base interactions energy: -559.482
where: short stacking energy: -283.551
Base-Backbone interact. energy: 0.314
local terms energy: -399.959008
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -112.529
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -59.299
tors. eta vs tors. theta energy: -39.905
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: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -910.143467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.143467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.143467 (E_RNA)
where:
Base-Base interactions energy: -507.090
where: short stacking energy: -265.703
Base-Backbone interact. energy: 0.380
local terms energy: -403.433386
where:
bonds (distance) C4'-P energy: -104.515
bonds (distance) P-C4' energy: -113.987
flat angles C4'-P-C4' energy: -98.957
flat angles P-C4'-P energy: -67.078
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -512.555777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.555777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.555777 (E_RNA)
where:
Base-Base interactions energy: -188.789
where: short stacking energy: -134.938
Base-Backbone interact. energy: -3.181
local terms energy: -320.585690
where:
bonds (distance) C4'-P energy: -88.195
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -97.134
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: 13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2173.368112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.368112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.368112 (E_RNA)
where:
Base-Base interactions energy: -1483.840
where: short stacking energy: -638.995
Base-Backbone interact. energy: -3.485
local terms energy: -686.043056
where:
bonds (distance) C4'-P energy: -133.980
bonds (distance) P-C4' energy: -119.352
flat angles C4'-P-C4' energy: -140.897
flat angles P-C4'-P energy: -102.688
tors. eta vs tors. theta energy: -189.126
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2119.822578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.822578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.822578 (E_RNA)
where:
Base-Base interactions energy: -1430.101
where: short stacking energy: -627.798
Base-Backbone interact. energy: -0.884
local terms energy: -688.838415
where:
bonds (distance) C4'-P energy: -122.709
bonds (distance) P-C4' energy: -128.965
flat angles C4'-P-C4' energy: -137.709
flat angles P-C4'-P energy: -90.783
tors. eta vs tors. theta energy: -208.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2000.895772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.895772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.895772 (E_RNA)
where:
Base-Base interactions energy: -1385.690
where: short stacking energy: -564.529
Base-Backbone interact. energy: -1.718
local terms energy: -613.487506
where:
bonds (distance) C4'-P energy: -102.928
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -135.528
flat angles P-C4'-P energy: -79.837
tors. eta vs tors. theta energy: -156.927
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: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1932.952105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.952105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.952105 (E_RNA)
where:
Base-Base interactions energy: -1309.476
where: short stacking energy: -533.458
Base-Backbone interact. energy: -3.190
local terms energy: -620.285914
where:
bonds (distance) C4'-P energy: -119.621
bonds (distance) P-C4' energy: -122.184
flat angles C4'-P-C4' energy: -141.101
flat angles P-C4'-P energy: -81.972
tors. eta vs tors. theta energy: -155.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1758.497044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.497044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.497044 (E_RNA)
where:
Base-Base interactions energy: -1193.566
where: short stacking energy: -522.992
Base-Backbone interact. energy: 0.331
local terms energy: -565.261628
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -111.661
flat angles C4'-P-C4' energy: -121.394
flat angles P-C4'-P energy: -88.681
tors. eta vs tors. theta energy: -151.129
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: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1503.855361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.855361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.855361 (E_RNA)
where:
Base-Base interactions energy: -975.354
where: short stacking energy: -423.285
Base-Backbone interact. energy: -2.828
local terms energy: -525.673981
where:
bonds (distance) C4'-P energy: -115.736
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -114.498
flat angles P-C4'-P energy: -66.856
tors. eta vs tors. theta energy: -117.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1261.337448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.337448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.337448 (E_RNA)
where:
Base-Base interactions energy: -784.232
where: short stacking energy: -374.204
Base-Backbone interact. energy: -2.666
local terms energy: -474.438882
where:
bonds (distance) C4'-P energy: -101.140
bonds (distance) P-C4' energy: -89.564
flat angles C4'-P-C4' energy: -118.083
flat angles P-C4'-P energy: -79.881
tors. eta vs tors. theta energy: -85.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -897.943459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.943459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.943459 (E_RNA)
where:
Base-Base interactions energy: -480.270
where: short stacking energy: -251.416
Base-Backbone interact. energy: -0.989
local terms energy: -416.684055
where:
bonds (distance) C4'-P energy: -104.968
bonds (distance) P-C4' energy: -120.147
flat angles C4'-P-C4' energy: -93.198
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -881.473198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.473198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.473198 (E_RNA)
where:
Base-Base interactions energy: -470.399
where: short stacking energy: -248.987
Base-Backbone interact. energy: 2.590
local terms energy: -413.665032
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -107.568
flat angles C4'-P-C4' energy: -99.220
flat angles P-C4'-P energy: -74.972
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -553.872019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.872019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.872019 (E_RNA)
where:
Base-Base interactions energy: -256.966
where: short stacking energy: -188.036
Base-Backbone interact. energy: 8.520
local terms energy: -305.425733
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -95.904
flat angles C4'-P-C4' energy: -93.470
flat angles P-C4'-P energy: -43.993
tors. eta vs tors. theta energy: 25.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2196.247098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.247098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.247098 (E_RNA)
where:
Base-Base interactions energy: -1504.710
where: short stacking energy: -648.299
Base-Backbone interact. energy: -2.702
local terms energy: -688.834486
where:
bonds (distance) C4'-P energy: -130.311
bonds (distance) P-C4' energy: -131.019
flat angles C4'-P-C4' energy: -147.239
flat angles P-C4'-P energy: -95.959
tors. eta vs tors. theta energy: -184.307
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2121.031869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.031869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.031869 (E_RNA)
where:
Base-Base interactions energy: -1444.832
where: short stacking energy: -628.220
Base-Backbone interact. energy: -1.451
local terms energy: -674.748468
where:
bonds (distance) C4'-P energy: -105.041
bonds (distance) P-C4' energy: -120.877
flat angles C4'-P-C4' energy: -147.621
flat angles P-C4'-P energy: -94.049
tors. eta vs tors. theta energy: -207.161
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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2065.445288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.445288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.445288 (E_RNA)
where:
Base-Base interactions energy: -1419.901
where: short stacking energy: -610.363
Base-Backbone interact. energy: -1.948
local terms energy: -643.596541
where:
bonds (distance) C4'-P energy: -116.366
bonds (distance) P-C4' energy: -117.923
flat angles C4'-P-C4' energy: -141.377
flat angles P-C4'-P energy: -96.229
tors. eta vs tors. theta energy: -171.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1960.356976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.356976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.356976 (E_RNA)
where:
Base-Base interactions energy: -1358.234
where: short stacking energy: -568.921
Base-Backbone interact. energy: -0.270
local terms energy: -601.852580
where:
bonds (distance) C4'-P energy: -118.059
bonds (distance) P-C4' energy: -104.160
flat angles C4'-P-C4' energy: -135.714
flat angles P-C4'-P energy: -84.696
tors. eta vs tors. theta energy: -159.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1798.318312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.318312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.318312 (E_RNA)
where:
Base-Base interactions energy: -1254.593
where: short stacking energy: -527.644
Base-Backbone interact. energy: -4.065
local terms energy: -539.659913
where:
bonds (distance) C4'-P energy: -91.259
bonds (distance) P-C4' energy: -99.951
flat angles C4'-P-C4' energy: -131.869
flat angles P-C4'-P energy: -75.514
tors. eta vs tors. theta energy: -141.066
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: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1577.995864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.995864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.995864 (E_RNA)
where:
Base-Base interactions energy: -1041.138
where: short stacking energy: -430.091
Base-Backbone interact. energy: 2.319
local terms energy: -539.176819
where:
bonds (distance) C4'-P energy: -124.030
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -109.127
flat angles P-C4'-P energy: -85.515
tors. eta vs tors. theta energy: -115.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1258.254559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.254559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.254559 (E_RNA)
where:
Base-Base interactions energy: -784.202
where: short stacking energy: -389.788
Base-Backbone interact. energy: -0.074
local terms energy: -473.978478
where:
bonds (distance) C4'-P energy: -107.543
bonds (distance) P-C4' energy: -117.220
flat angles C4'-P-C4' energy: -111.724
flat angles P-C4'-P energy: -51.710
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: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -935.514085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.514085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.514085 (E_RNA)
where:
Base-Base interactions energy: -525.399
where: short stacking energy: -304.360
Base-Backbone interact. energy: -0.387
local terms energy: -409.728059
where:
bonds (distance) C4'-P energy: -111.778
bonds (distance) P-C4' energy: -98.077
flat angles C4'-P-C4' energy: -102.071
flat angles P-C4'-P energy: -55.112
tors. eta vs tors. theta energy: -42.690
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: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -910.649805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.649805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.649805 (E_RNA)
where:
Base-Base interactions energy: -534.096
where: short stacking energy: -277.026
Base-Backbone interact. energy: 0.415
local terms energy: -376.968168
where:
bonds (distance) C4'-P energy: -88.531
bonds (distance) P-C4' energy: -115.339
flat angles C4'-P-C4' energy: -99.209
flat angles P-C4'-P energy: -52.481
tors. eta vs tors. theta energy: -21.408
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: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -544.903640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.903640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.903640 (E_RNA)
where:
Base-Base interactions energy: -214.858
where: short stacking energy: -157.670
Base-Backbone interact. energy: 0.504
local terms energy: -330.549579
where:
bonds (distance) C4'-P energy: -106.355
bonds (distance) P-C4' energy: -103.105
flat angles C4'-P-C4' energy: -83.757
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: 4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2203.661217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.661217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.661217 (E_RNA)
where:
Base-Base interactions energy: -1505.276
where: short stacking energy: -648.818
Base-Backbone interact. energy: -3.958
local terms energy: -694.426789
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -132.856
flat angles C4'-P-C4' energy: -149.824
flat angles P-C4'-P energy: -102.973
tors. eta vs tors. theta energy: -181.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2144.729684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.729684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.729684 (E_RNA)
where:
Base-Base interactions energy: -1459.005
where: short stacking energy: -663.759
Base-Backbone interact. energy: -0.106
local terms energy: -685.618767
where:
bonds (distance) C4'-P energy: -122.553
bonds (distance) P-C4' energy: -130.819
flat angles C4'-P-C4' energy: -136.831
flat angles P-C4'-P energy: -87.564
tors. eta vs tors. theta energy: -207.850
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: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1988.460199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.460199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.460199 (E_RNA)
where:
Base-Base interactions energy: -1356.144
where: short stacking energy: -576.013
Base-Backbone interact. energy: -2.021
local terms energy: -630.294546
where:
bonds (distance) C4'-P energy: -114.290
bonds (distance) P-C4' energy: -123.959
flat angles C4'-P-C4' energy: -132.174
flat angles P-C4'-P energy: -90.077
tors. eta vs tors. theta energy: -169.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1959.212294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.212294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.212294 (E_RNA)
where:
Base-Base interactions energy: -1357.542
where: short stacking energy: -568.236
Base-Backbone interact. energy: -4.744
local terms energy: -596.926178
where:
bonds (distance) C4'-P energy: -121.088
bonds (distance) P-C4' energy: -114.564
flat angles C4'-P-C4' energy: -137.532
flat angles P-C4'-P energy: -76.674
tors. eta vs tors. theta energy: -147.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1740.637391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.637391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.637391 (E_RNA)
where:
Base-Base interactions energy: -1168.545
where: short stacking energy: -503.163
Base-Backbone interact. energy: -1.926
local terms energy: -570.165787
where:
bonds (distance) C4'-P energy: -111.275
bonds (distance) P-C4' energy: -119.256
flat angles C4'-P-C4' energy: -118.557
flat angles P-C4'-P energy: -71.366
tors. eta vs tors. theta energy: -149.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1622.377720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.377720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.377720 (E_RNA)
where:
Base-Base interactions energy: -1079.340
where: short stacking energy: -482.759
Base-Backbone interact. energy: -2.084
local terms energy: -540.953666
where:
bonds (distance) C4'-P energy: -112.109
bonds (distance) P-C4' energy: -116.310
flat angles C4'-P-C4' energy: -121.374
flat angles P-C4'-P energy: -70.569
tors. eta vs tors. theta energy: -120.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1269.195002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.195002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.195002 (E_RNA)
where:
Base-Base interactions energy: -756.990
where: short stacking energy: -368.955
Base-Backbone interact. energy: -0.543
local terms energy: -511.662156
where:
bonds (distance) C4'-P energy: -117.743
bonds (distance) P-C4' energy: -123.186
flat angles C4'-P-C4' energy: -106.130
flat angles P-C4'-P energy: -88.394
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -928.955082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.955082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.955082 (E_RNA)
where:
Base-Base interactions energy: -527.459
where: short stacking energy: -280.252
Base-Backbone interact. energy: -1.541
local terms energy: -399.954803
where:
bonds (distance) C4'-P energy: -101.041
bonds (distance) P-C4' energy: -106.029
flat angles C4'-P-C4' energy: -105.038
flat angles P-C4'-P energy: -58.256
tors. eta vs tors. theta energy: -29.591
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: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -848.060375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.060375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.060375 (E_RNA)
where:
Base-Base interactions energy: -460.134
where: short stacking energy: -248.155
Base-Backbone interact. energy: 0.350
local terms energy: -388.275851
where:
bonds (distance) C4'-P energy: -98.424
bonds (distance) P-C4' energy: -107.409
flat angles C4'-P-C4' energy: -88.784
flat angles P-C4'-P energy: -60.492
tors. eta vs tors. theta energy: -33.168
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: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -637.547349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.547349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.547349 (E_RNA)
where:
Base-Base interactions energy: -299.074
where: short stacking energy: -198.544
Base-Backbone interact. energy: -1.691
local terms energy: -336.782291
where:
bonds (distance) C4'-P energy: -77.092
bonds (distance) P-C4' energy: -124.007
flat angles C4'-P-C4' energy: -80.907
flat angles P-C4'-P energy: -58.068
tors. eta vs tors. theta energy: 3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2188.322896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.322896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.322896 (E_RNA)
where:
Base-Base interactions energy: -1489.544
where: short stacking energy: -633.016
Base-Backbone interact. energy: -2.413
local terms energy: -696.366330
where:
bonds (distance) C4'-P energy: -134.456
bonds (distance) P-C4' energy: -136.263
flat angles C4'-P-C4' energy: -141.968
flat angles P-C4'-P energy: -96.446
tors. eta vs tors. theta energy: -187.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2152.160549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.160549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.160549 (E_RNA)
where:
Base-Base interactions energy: -1462.365
where: short stacking energy: -645.875
Base-Backbone interact. energy: -2.999
local terms energy: -686.796740
where:
bonds (distance) C4'-P energy: -111.167
bonds (distance) P-C4' energy: -133.102
flat angles C4'-P-C4' energy: -144.048
flat angles P-C4'-P energy: -95.348
tors. eta vs tors. theta energy: -203.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1969.284256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.284256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.284256 (E_RNA)
where:
Base-Base interactions energy: -1359.472
where: short stacking energy: -555.132
Base-Backbone interact. energy: -2.700
local terms energy: -607.112489
where:
bonds (distance) C4'-P energy: -113.394
bonds (distance) P-C4' energy: -120.771
flat angles C4'-P-C4' energy: -134.141
flat angles P-C4'-P energy: -85.214
tors. eta vs tors. theta energy: -153.592
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: 426
Temperature: 1.050000
Total energy: -1934.745072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.745072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.745072 (E_RNA)
where:
Base-Base interactions energy: -1367.723
where: short stacking energy: -533.949
Base-Backbone interact. energy: -1.336
local terms energy: -565.685984
where:
bonds (distance) C4'-P energy: -97.524
bonds (distance) P-C4' energy: -120.006
flat angles C4'-P-C4' energy: -120.098
flat angles P-C4'-P energy: -78.663
tors. eta vs tors. theta energy: -149.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1753.030135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.030135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.030135 (E_RNA)
where:
Base-Base interactions energy: -1195.907
where: short stacking energy: -491.076
Base-Backbone interact. energy: -2.454
local terms energy: -554.669033
where:
bonds (distance) C4'-P energy: -108.520
bonds (distance) P-C4' energy: -107.811
flat angles C4'-P-C4' energy: -131.771
flat angles P-C4'-P energy: -61.003
tors. eta vs tors. theta energy: -145.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1649.101448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.101448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.101448 (E_RNA)
where:
Base-Base interactions energy: -1078.061
where: short stacking energy: -493.971
Base-Backbone interact. energy: -0.711
local terms energy: -570.329859
where:
bonds (distance) C4'-P energy: -113.808
bonds (distance) P-C4' energy: -119.396
flat angles C4'-P-C4' energy: -118.709
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -132.260
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1246.374206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.374206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.374206 (E_RNA)
where:
Base-Base interactions energy: -792.788
where: short stacking energy: -376.527
Base-Backbone interact. energy: 2.566
local terms energy: -456.152064
where:
bonds (distance) C4'-P energy: -102.545
bonds (distance) P-C4' energy: -108.221
flat angles C4'-P-C4' energy: -104.444
flat angles P-C4'-P energy: -60.230
tors. eta vs tors. theta energy: -80.713
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: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -872.345058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.345058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.345058 (E_RNA)
where:
Base-Base interactions energy: -465.324
where: short stacking energy: -254.882
Base-Backbone interact. energy: 0.712
local terms energy: -407.733211
where:
bonds (distance) C4'-P energy: -110.823
bonds (distance) P-C4' energy: -116.038
flat angles C4'-P-C4' energy: -105.354
flat angles P-C4'-P energy: -63.637
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -865.075875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.075875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.075875 (E_RNA)
where:
Base-Base interactions energy: -455.258
where: short stacking energy: -230.788
Base-Backbone interact. energy: 1.131
local terms energy: -410.948983
where:
bonds (distance) C4'-P energy: -103.189
bonds (distance) P-C4' energy: -115.524
flat angles C4'-P-C4' energy: -103.143
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -623.331662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.331662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.331662 (E_RNA)
where:
Base-Base interactions energy: -307.258
where: short stacking energy: -203.734
Base-Backbone interact. energy: 1.261
local terms energy: -317.334025
where:
bonds (distance) C4'-P energy: -85.569
bonds (distance) P-C4' energy: -91.620
flat angles C4'-P-C4' energy: -81.106
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -2.839
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: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2201.442236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.442236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.442236 (E_RNA)
where:
Base-Base interactions energy: -1493.790
where: short stacking energy: -643.361
Base-Backbone interact. energy: 3.026
local terms energy: -710.678596
where:
bonds (distance) C4'-P energy: -147.181
bonds (distance) P-C4' energy: -128.423
flat angles C4'-P-C4' energy: -145.238
flat angles P-C4'-P energy: -94.346
tors. eta vs tors. theta energy: -195.491
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2114.940356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.940356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.940356 (E_RNA)
where:
Base-Base interactions energy: -1442.490
where: short stacking energy: -642.777
Base-Backbone interact. energy: -2.392
local terms energy: -670.057853
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -132.456
flat angles C4'-P-C4' energy: -145.065
flat angles P-C4'-P energy: -86.691
tors. eta vs tors. theta energy: -190.625
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: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1979.139610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.139610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.139610 (E_RNA)
where:
Base-Base interactions energy: -1368.356
where: short stacking energy: -562.170
Base-Backbone interact. energy: 0.097
local terms energy: -610.881021
where:
bonds (distance) C4'-P energy: -101.568
bonds (distance) P-C4' energy: -130.842
flat angles C4'-P-C4' energy: -138.130
flat angles P-C4'-P energy: -78.972
tors. eta vs tors. theta energy: -161.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1901.007240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.007240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.007240 (E_RNA)
where:
Base-Base interactions energy: -1293.885
where: short stacking energy: -541.706
Base-Backbone interact. energy: -3.863
local terms energy: -603.258704
where:
bonds (distance) C4'-P energy: -120.548
bonds (distance) P-C4' energy: -126.433
flat angles C4'-P-C4' energy: -136.025
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -139.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1744.098985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.098985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.098985 (E_RNA)
where:
Base-Base interactions energy: -1155.328
where: short stacking energy: -502.034
Base-Backbone interact. energy: -1.270
local terms energy: -587.500100
where:
bonds (distance) C4'-P energy: -109.103
bonds (distance) P-C4' energy: -124.010
flat angles C4'-P-C4' energy: -123.090
flat angles P-C4'-P energy: -88.716
tors. eta vs tors. theta energy: -142.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1574.387969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.387969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.387969 (E_RNA)
where:
Base-Base interactions energy: -1028.020
where: short stacking energy: -450.326
Base-Backbone interact. energy: -3.431
local terms energy: -542.937598
where:
bonds (distance) C4'-P energy: -110.386
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -124.031
flat angles P-C4'-P energy: -81.450
tors. eta vs tors. theta energy: -117.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1199.155207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.155207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.155207 (E_RNA)
where:
Base-Base interactions energy: -770.764
where: short stacking energy: -367.354
Base-Backbone interact. energy: -1.608
local terms energy: -426.783928
where:
bonds (distance) C4'-P energy: -96.742
bonds (distance) P-C4' energy: -105.275
flat angles C4'-P-C4' energy: -116.286
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -58.983
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -934.779001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.779001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.779001 (E_RNA)
where:
Base-Base interactions energy: -510.141
where: short stacking energy: -264.996
Base-Backbone interact. energy: -0.028
local terms energy: -424.609671
where:
bonds (distance) C4'-P energy: -101.418
bonds (distance) P-C4' energy: -114.872
flat angles C4'-P-C4' energy: -110.414
flat angles P-C4'-P energy: -56.410
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -854.649532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.649532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.649532 (E_RNA)
where:
Base-Base interactions energy: -464.107
where: short stacking energy: -240.122
Base-Backbone interact. energy: -0.612
local terms energy: -389.930305
where:
bonds (distance) C4'-P energy: -96.316
bonds (distance) P-C4' energy: -107.255
flat angles C4'-P-C4' energy: -99.498
flat angles P-C4'-P energy: -64.756
tors. eta vs tors. theta energy: -22.106
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: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -590.017030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.017030 (E_RNA)
where:
Base-Base interactions energy: -269.639
where: short stacking energy: -160.172
Base-Backbone interact. energy: 0.925
local terms energy: -321.303727
where:
bonds (distance) C4'-P energy: -102.367
bonds (distance) P-C4' energy: -101.907
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: 11.996
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: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2183.298045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.298045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.298045 (E_RNA)
where:
Base-Base interactions energy: -1495.277
where: short stacking energy: -653.775
Base-Backbone interact. energy: -2.814
local terms energy: -685.206729
where:
bonds (distance) C4'-P energy: -122.669
bonds (distance) P-C4' energy: -135.225
flat angles C4'-P-C4' energy: -145.963
flat angles P-C4'-P energy: -97.958
tors. eta vs tors. theta energy: -183.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2111.050957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.050957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.050957 (E_RNA)
where:
Base-Base interactions energy: -1438.921
where: short stacking energy: -626.162
Base-Backbone interact. energy: -1.152
local terms energy: -670.977429
where:
bonds (distance) C4'-P energy: -119.367
bonds (distance) P-C4' energy: -118.029
flat angles C4'-P-C4' energy: -143.255
flat angles P-C4'-P energy: -93.274
tors. eta vs tors. theta energy: -197.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2022.897685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.897685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.897685 (E_RNA)
where:
Base-Base interactions energy: -1388.074
where: short stacking energy: -598.030
Base-Backbone interact. energy: -2.447
local terms energy: -632.376577
where:
bonds (distance) C4'-P energy: -115.899
bonds (distance) P-C4' energy: -130.878
flat angles C4'-P-C4' energy: -140.067
flat angles P-C4'-P energy: -77.344
tors. eta vs tors. theta energy: -168.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1875.423147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.423147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.423147 (E_RNA)
where:
Base-Base interactions energy: -1304.528
where: short stacking energy: -539.381
Base-Backbone interact. energy: -1.284
local terms energy: -569.611050
where:
bonds (distance) C4'-P energy: -123.529
bonds (distance) P-C4' energy: -101.286
flat angles C4'-P-C4' energy: -122.042
flat angles P-C4'-P energy: -83.722
tors. eta vs tors. theta energy: -139.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1751.083021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.083021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.083021 (E_RNA)
where:
Base-Base interactions energy: -1177.778
where: short stacking energy: -497.369
Base-Backbone interact. energy: -2.696
local terms energy: -570.609140
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -117.386
flat angles C4'-P-C4' energy: -125.309
flat angles P-C4'-P energy: -85.716
tors. eta vs tors. theta energy: -148.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1517.964720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.964720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.964720 (E_RNA)
where:
Base-Base interactions energy: -996.703
where: short stacking energy: -446.676
Base-Backbone interact. energy: -1.752
local terms energy: -519.508979
where:
bonds (distance) C4'-P energy: -113.883
bonds (distance) P-C4' energy: -124.603
flat angles C4'-P-C4' energy: -119.571
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -114.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1276.936026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.936026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.936026 (E_RNA)
where:
Base-Base interactions energy: -791.265
where: short stacking energy: -380.640
Base-Backbone interact. energy: -2.915
local terms energy: -482.756057
where:
bonds (distance) C4'-P energy: -117.792
bonds (distance) P-C4' energy: -108.066
flat angles C4'-P-C4' energy: -112.661
flat angles P-C4'-P energy: -69.379
tors. eta vs tors. theta energy: -74.858
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: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -921.291807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.291807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.291807 (E_RNA)
where:
Base-Base interactions energy: -488.587
where: short stacking energy: -275.811
Base-Backbone interact. energy: -0.400
local terms energy: -432.304516
where:
bonds (distance) C4'-P energy: -99.171
bonds (distance) P-C4' energy: -110.342
flat angles C4'-P-C4' energy: -118.234
flat angles P-C4'-P energy: -67.740
tors. eta vs tors. theta energy: -36.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -813.344660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.344660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.344660 (E_RNA)
where:
Base-Base interactions energy: -455.118
where: short stacking energy: -241.240
Base-Backbone interact. energy: 0.573
local terms energy: -358.800198
where:
bonds (distance) C4'-P energy: -90.866
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -97.587
flat angles P-C4'-P energy: -54.153
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: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -500.332533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.332533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.332533 (E_RNA)
where:
Base-Base interactions energy: -182.278
where: short stacking energy: -128.023
Base-Backbone interact. energy: 4.453
local terms energy: -322.507185
where:
bonds (distance) C4'-P energy: -105.315
bonds (distance) P-C4' energy: -115.864
flat angles C4'-P-C4' energy: -82.736
flat angles P-C4'-P energy: -45.894
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2204.771269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.771269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.771269 (E_RNA)
where:
Base-Base interactions energy: -1523.464
where: short stacking energy: -633.169
Base-Backbone interact. energy: -3.831
local terms energy: -677.476159
where:
bonds (distance) C4'-P energy: -116.384
bonds (distance) P-C4' energy: -132.776
flat angles C4'-P-C4' energy: -152.385
flat angles P-C4'-P energy: -90.624
tors. eta vs tors. theta energy: -185.307
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: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2124.529820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.529820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.529820 (E_RNA)
where:
Base-Base interactions energy: -1438.414
where: short stacking energy: -624.105
Base-Backbone interact. energy: -1.402
local terms energy: -684.713393
where:
bonds (distance) C4'-P energy: -129.684
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -132.252
flat angles P-C4'-P energy: -102.467
tors. eta vs tors. theta energy: -193.521
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: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1994.903067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.903067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.903067 (E_RNA)
where:
Base-Base interactions energy: -1368.817
where: short stacking energy: -558.640
Base-Backbone interact. energy: 3.809
local terms energy: -629.895129
where:
bonds (distance) C4'-P energy: -100.457
bonds (distance) P-C4' energy: -141.149
flat angles C4'-P-C4' energy: -142.543
flat angles P-C4'-P energy: -79.449
tors. eta vs tors. theta energy: -166.296
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: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1884.827681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.827681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.827681 (E_RNA)
where:
Base-Base interactions energy: -1303.384
where: short stacking energy: -550.132
Base-Backbone interact. energy: -0.750
local terms energy: -580.694242
where:
bonds (distance) C4'-P energy: -113.862
bonds (distance) P-C4' energy: -96.937
flat angles C4'-P-C4' energy: -135.610
flat angles P-C4'-P energy: -92.726
tors. eta vs tors. theta energy: -141.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1773.694783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.694783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.694783 (E_RNA)
where:
Base-Base interactions energy: -1180.111
where: short stacking energy: -525.560
Base-Backbone interact. energy: -2.117
local terms energy: -591.466656
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -110.839
flat angles C4'-P-C4' energy: -135.191
flat angles P-C4'-P energy: -77.421
tors. eta vs tors. theta energy: -157.953
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: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1570.611824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.611824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.611824 (E_RNA)
where:
Base-Base interactions energy: -1028.231
where: short stacking energy: -444.994
Base-Backbone interact. energy: -1.884
local terms energy: -540.496671
where:
bonds (distance) C4'-P energy: -106.619
bonds (distance) P-C4' energy: -111.252
flat angles C4'-P-C4' energy: -123.241
flat angles P-C4'-P energy: -87.463
tors. eta vs tors. theta energy: -111.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1304.390286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.390286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.390286 (E_RNA)
where:
Base-Base interactions energy: -838.969
where: short stacking energy: -363.135
Base-Backbone interact. energy: -1.474
local terms energy: -463.947143
where:
bonds (distance) C4'-P energy: -98.012
bonds (distance) P-C4' energy: -123.404
flat angles C4'-P-C4' energy: -106.739
flat angles P-C4'-P energy: -53.480
tors. eta vs tors. theta energy: -82.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -908.777351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.777351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.777351 (E_RNA)
where:
Base-Base interactions energy: -509.757
where: short stacking energy: -262.110
Base-Backbone interact. energy: -1.272
local terms energy: -397.747594
where:
bonds (distance) C4'-P energy: -88.422
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -99.800
flat angles P-C4'-P energy: -75.088
tors. eta vs tors. theta energy: -27.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -785.100093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.100093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.100093 (E_RNA)
where:
Base-Base interactions energy: -396.858
where: short stacking energy: -217.926
Base-Backbone interact. energy: 2.459
local terms energy: -390.700749
where:
bonds (distance) C4'-P energy: -103.882
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -101.111
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -541.647820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.647820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.647820 (E_RNA)
where:
Base-Base interactions energy: -212.478
where: short stacking energy: -141.816
Base-Backbone interact. energy: 3.118
local terms energy: -332.288150
where:
bonds (distance) C4'-P energy: -92.253
bonds (distance) P-C4' energy: -110.800
flat angles C4'-P-C4' energy: -92.531
flat angles P-C4'-P energy: -48.955
tors. eta vs tors. theta energy: 12.251
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2165.915232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.915232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.915232 (E_RNA)
where:
Base-Base interactions energy: -1472.872
where: short stacking energy: -623.692
Base-Backbone interact. energy: -2.279
local terms energy: -690.764830
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -129.459
flat angles C4'-P-C4' energy: -144.609
flat angles P-C4'-P energy: -102.319
tors. eta vs tors. theta energy: -193.085
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: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2104.380300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.380300 (E_RNA)
where:
Base-Base interactions energy: -1408.682
where: short stacking energy: -610.077
Base-Backbone interact. energy: -0.154
local terms energy: -695.543787
where:
bonds (distance) C4'-P energy: -122.704
bonds (distance) P-C4' energy: -139.631
flat angles C4'-P-C4' energy: -144.538
flat angles P-C4'-P energy: -97.446
tors. eta vs tors. theta energy: -191.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1991.510871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.510871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.510871 (E_RNA)
where:
Base-Base interactions energy: -1384.216
where: short stacking energy: -606.938
Base-Backbone interact. energy: 5.112
local terms energy: -612.406864
where:
bonds (distance) C4'-P energy: -116.677
bonds (distance) P-C4' energy: -116.204
flat angles C4'-P-C4' energy: -140.317
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -170.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1890.715818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.715818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.715818 (E_RNA)
where:
Base-Base interactions energy: -1307.122
where: short stacking energy: -519.424
Base-Backbone interact. energy: -6.432
local terms energy: -577.161825
where:
bonds (distance) C4'-P energy: -121.972
bonds (distance) P-C4' energy: -124.701
flat angles C4'-P-C4' energy: -120.088
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -138.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1770.311403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.311403 (E_RNA)
where:
Base-Base interactions energy: -1186.305
where: short stacking energy: -533.387
Base-Backbone interact. energy: -1.344
local terms energy: -582.662862
where:
bonds (distance) C4'-P energy: -99.568
bonds (distance) P-C4' energy: -93.464
flat angles C4'-P-C4' energy: -133.617
flat angles P-C4'-P energy: -91.062
tors. eta vs tors. theta energy: -164.952
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: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1591.592716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.592716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.592716 (E_RNA)
where:
Base-Base interactions energy: -1031.950
where: short stacking energy: -473.301
Base-Backbone interact. energy: -1.320
local terms energy: -558.322745
where:
bonds (distance) C4'-P energy: -107.353
bonds (distance) P-C4' energy: -110.598
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -143.071
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1282.056346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.056346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.056346 (E_RNA)
where:
Base-Base interactions energy: -785.301
where: short stacking energy: -373.453
Base-Backbone interact. energy: 0.846
local terms energy: -497.601653
where:
bonds (distance) C4'-P energy: -126.677
bonds (distance) P-C4' energy: -116.417
flat angles C4'-P-C4' energy: -131.852
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -77.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -982.579470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.579470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.579470 (E_RNA)
where:
Base-Base interactions energy: -560.710
where: short stacking energy: -296.041
Base-Backbone interact. energy: 1.548
local terms energy: -423.417040
where:
bonds (distance) C4'-P energy: -104.279
bonds (distance) P-C4' energy: -100.643
flat angles C4'-P-C4' energy: -117.074
flat angles P-C4'-P energy: -58.284
tors. eta vs tors. theta energy: -43.137
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: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -741.481253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.481253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.481253 (E_RNA)
where:
Base-Base interactions energy: -407.837
where: short stacking energy: -235.094
Base-Backbone interact. energy: 0.597
local terms energy: -334.242019
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -100.964
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -524.067177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.067177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.067177 (E_RNA)
where:
Base-Base interactions energy: -207.010
where: short stacking energy: -147.964
Base-Backbone interact. energy: 1.253
local terms energy: -318.309764
where:
bonds (distance) C4'-P energy: -93.134
bonds (distance) P-C4' energy: -107.987
flat angles C4'-P-C4' energy: -86.071
flat angles P-C4'-P energy: -59.014
tors. eta vs tors. theta energy: 27.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2172.899006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.899006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.899006 (E_RNA)
where:
Base-Base interactions energy: -1483.047
where: short stacking energy: -626.378
Base-Backbone interact. energy: -5.443
local terms energy: -684.408912
where:
bonds (distance) C4'-P energy: -118.385
bonds (distance) P-C4' energy: -134.584
flat angles C4'-P-C4' energy: -150.887
flat angles P-C4'-P energy: -98.946
tors. eta vs tors. theta energy: -181.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2137.229247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.229247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.229247 (E_RNA)
where:
Base-Base interactions energy: -1465.673
where: short stacking energy: -639.217
Base-Backbone interact. energy: -0.494
local terms energy: -671.062433
where:
bonds (distance) C4'-P energy: -123.172
bonds (distance) P-C4' energy: -113.381
flat angles C4'-P-C4' energy: -142.321
flat angles P-C4'-P energy: -94.117
tors. eta vs tors. theta energy: -198.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2003.105868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.105868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.105868 (E_RNA)
where:
Base-Base interactions energy: -1411.832
where: short stacking energy: -601.001
Base-Backbone interact. energy: 2.557
local terms energy: -593.830594
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -104.479
flat angles C4'-P-C4' energy: -136.865
flat angles P-C4'-P energy: -77.802
tors. eta vs tors. theta energy: -161.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1951.991135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.991135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.991135 (E_RNA)
where:
Base-Base interactions energy: -1358.391
where: short stacking energy: -537.460
Base-Backbone interact. energy: -4.763
local terms energy: -588.837552
where:
bonds (distance) C4'-P energy: -100.880
bonds (distance) P-C4' energy: -116.623
flat angles C4'-P-C4' energy: -131.856
flat angles P-C4'-P energy: -97.625
tors. eta vs tors. theta energy: -141.855
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: 431
Temperature: 1.100000
Total energy: -1780.668776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.668776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.668776 (E_RNA)
where:
Base-Base interactions energy: -1177.835
where: short stacking energy: -515.712
Base-Backbone interact. energy: 0.265
local terms energy: -603.098453
where:
bonds (distance) C4'-P energy: -117.990
bonds (distance) P-C4' energy: -126.114
flat angles C4'-P-C4' energy: -118.629
flat angles P-C4'-P energy: -87.235
tors. eta vs tors. theta energy: -153.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1588.662132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.662132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.662132 (E_RNA)
where:
Base-Base interactions energy: -1052.403
where: short stacking energy: -473.444
Base-Backbone interact. energy: 0.902
local terms energy: -537.161524
where:
bonds (distance) C4'-P energy: -116.783
bonds (distance) P-C4' energy: -109.084
flat angles C4'-P-C4' energy: -109.610
flat angles P-C4'-P energy: -74.758
tors. eta vs tors. theta energy: -126.927
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: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1268.768826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.768826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.768826 (E_RNA)
where:
Base-Base interactions energy: -811.658
where: short stacking energy: -378.301
Base-Backbone interact. energy: -3.586
local terms energy: -453.524957
where:
bonds (distance) C4'-P energy: -85.750
bonds (distance) P-C4' energy: -94.587
flat angles C4'-P-C4' energy: -122.445
flat angles P-C4'-P energy: -67.837
tors. eta vs tors. theta energy: -82.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -983.022930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.022930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.022930 (E_RNA)
where:
Base-Base interactions energy: -558.704
where: short stacking energy: -272.860
Base-Backbone interact. energy: 0.890
local terms energy: -425.209135
where:
bonds (distance) C4'-P energy: -112.799
bonds (distance) P-C4' energy: -126.588
flat angles C4'-P-C4' energy: -88.368
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -789.354397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.354397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.354397 (E_RNA)
where:
Base-Base interactions energy: -416.215
where: short stacking energy: -221.716
Base-Backbone interact. energy: 0.782
local terms energy: -373.921915
where:
bonds (distance) C4'-P energy: -106.268
bonds (distance) P-C4' energy: -116.140
flat angles C4'-P-C4' energy: -85.108
flat angles P-C4'-P energy: -38.199
tors. eta vs tors. theta energy: -28.208
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: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -506.331241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.331241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.331241 (E_RNA)
where:
Base-Base interactions energy: -192.295
where: short stacking energy: -151.297
Base-Backbone interact. energy: 13.979
local terms energy: -328.014767
where:
bonds (distance) C4'-P energy: -86.659
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -97.685
flat angles P-C4'-P energy: -50.949
tors. eta vs tors. theta energy: 12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2202.257478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.257478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.257478 (E_RNA)
where:
Base-Base interactions energy: -1497.365
where: short stacking energy: -671.673
Base-Backbone interact. energy: -2.623
local terms energy: -702.269252
where:
bonds (distance) C4'-P energy: -120.064
bonds (distance) P-C4' energy: -131.478
flat angles C4'-P-C4' energy: -138.407
flat angles P-C4'-P energy: -93.273
tors. eta vs tors. theta energy: -219.047
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2129.395241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.395241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.395241 (E_RNA)
where:
Base-Base interactions energy: -1455.941
where: short stacking energy: -617.395
Base-Backbone interact. energy: -3.664
local terms energy: -669.790301
where:
bonds (distance) C4'-P energy: -124.414
bonds (distance) P-C4' energy: -129.527
flat angles C4'-P-C4' energy: -140.105
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -182.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2011.423333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.423333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.423333 (E_RNA)
where:
Base-Base interactions energy: -1392.952
where: short stacking energy: -571.155
Base-Backbone interact. energy: -1.856
local terms energy: -616.615024
where:
bonds (distance) C4'-P energy: -118.424
bonds (distance) P-C4' energy: -133.453
flat angles C4'-P-C4' energy: -132.221
flat angles P-C4'-P energy: -83.056
tors. eta vs tors. theta energy: -149.461
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1949.158852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.158852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.158852 (E_RNA)
where:
Base-Base interactions energy: -1374.161
where: short stacking energy: -553.261
Base-Backbone interact. energy: -4.317
local terms energy: -570.681526
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -99.098
flat angles C4'-P-C4' energy: -134.824
flat angles P-C4'-P energy: -80.354
tors. eta vs tors. theta energy: -133.683
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: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1714.367487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.367487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.367487 (E_RNA)
where:
Base-Base interactions energy: -1154.170
where: short stacking energy: -488.671
Base-Backbone interact. energy: -1.507
local terms energy: -558.690208
where:
bonds (distance) C4'-P energy: -92.117
bonds (distance) P-C4' energy: -124.531
flat angles C4'-P-C4' energy: -140.266
flat angles P-C4'-P energy: -70.283
tors. eta vs tors. theta energy: -131.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1540.019925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.019925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.019925 (E_RNA)
where:
Base-Base interactions energy: -1000.219
where: short stacking energy: -444.219
Base-Backbone interact. energy: -3.084
local terms energy: -536.716499
where:
bonds (distance) C4'-P energy: -100.375
bonds (distance) P-C4' energy: -123.914
flat angles C4'-P-C4' energy: -124.562
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -119.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1305.817668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.817668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.817668 (E_RNA)
where:
Base-Base interactions energy: -842.827
where: short stacking energy: -375.803
Base-Backbone interact. energy: -2.752
local terms energy: -460.238085
where:
bonds (distance) C4'-P energy: -91.321
bonds (distance) P-C4' energy: -98.599
flat angles C4'-P-C4' energy: -108.815
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -88.896
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: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -946.500736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.500736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.500736 (E_RNA)
where:
Base-Base interactions energy: -518.107
where: short stacking energy: -284.800
Base-Backbone interact. energy: -3.606
local terms energy: -424.787949
where:
bonds (distance) C4'-P energy: -84.995
bonds (distance) P-C4' energy: -116.063
flat angles C4'-P-C4' energy: -111.337
flat angles P-C4'-P energy: -74.625
tors. eta vs tors. theta energy: -37.768
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: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -836.693770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.693770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.693770 (E_RNA)
where:
Base-Base interactions energy: -466.194
where: short stacking energy: -246.734
Base-Backbone interact. energy: -2.187
local terms energy: -368.312819
where:
bonds (distance) C4'-P energy: -87.090
bonds (distance) P-C4' energy: -110.589
flat angles C4'-P-C4' energy: -97.750
flat angles P-C4'-P energy: -50.235
tors. eta vs tors. theta energy: -22.649
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: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -490.356528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.356528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.356528 (E_RNA)
where:
Base-Base interactions energy: -193.276
where: short stacking energy: -130.049
Base-Backbone interact. energy: -1.787
local terms energy: -295.293373
where:
bonds (distance) C4'-P energy: -95.900
bonds (distance) P-C4' energy: -95.573
flat angles C4'-P-C4' energy: -84.172
flat angles P-C4'-P energy: -53.456
tors. eta vs tors. theta energy: 33.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2173.850074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.850074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.850074 (E_RNA)
where:
Base-Base interactions energy: -1469.055
where: short stacking energy: -656.527
Base-Backbone interact. energy: 1.170
local terms energy: -705.965254
where:
bonds (distance) C4'-P energy: -134.161
bonds (distance) P-C4' energy: -122.351
flat angles C4'-P-C4' energy: -143.095
flat angles P-C4'-P energy: -94.551
tors. eta vs tors. theta energy: -211.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2118.800451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.800451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.800451 (E_RNA)
where:
Base-Base interactions energy: -1475.050
where: short stacking energy: -610.220
Base-Backbone interact. energy: -1.341
local terms energy: -642.409040
where:
bonds (distance) C4'-P energy: -125.867
bonds (distance) P-C4' energy: -122.746
flat angles C4'-P-C4' energy: -137.488
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -164.850
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: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2006.615592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.615592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.615592 (E_RNA)
where:
Base-Base interactions energy: -1367.213
where: short stacking energy: -576.933
Base-Backbone interact. energy: -4.392
local terms energy: -635.010658
where:
bonds (distance) C4'-P energy: -128.933
bonds (distance) P-C4' energy: -131.734
flat angles C4'-P-C4' energy: -130.422
flat angles P-C4'-P energy: -88.856
tors. eta vs tors. theta energy: -155.066
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: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1915.520927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.520927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.520927 (E_RNA)
where:
Base-Base interactions energy: -1325.765
where: short stacking energy: -532.310
Base-Backbone interact. energy: -5.143
local terms energy: -584.613038
where:
bonds (distance) C4'-P energy: -109.834
bonds (distance) P-C4' energy: -114.468
flat angles C4'-P-C4' energy: -145.331
flat angles P-C4'-P energy: -85.726
tors. eta vs tors. theta energy: -129.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1746.012087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.012087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.012087 (E_RNA)
where:
Base-Base interactions energy: -1178.513
where: short stacking energy: -488.067
Base-Backbone interact. energy: -2.488
local terms energy: -565.011068
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -111.575
flat angles C4'-P-C4' energy: -134.548
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -140.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1549.832136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.832136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.832136 (E_RNA)
where:
Base-Base interactions energy: -1016.615
where: short stacking energy: -468.838
Base-Backbone interact. energy: -4.752
local terms energy: -528.465317
where:
bonds (distance) C4'-P energy: -97.340
bonds (distance) P-C4' energy: -108.541
flat angles C4'-P-C4' energy: -115.284
flat angles P-C4'-P energy: -81.586
tors. eta vs tors. theta energy: -125.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1305.031152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.031152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.031152 (E_RNA)
where:
Base-Base interactions energy: -819.606
where: short stacking energy: -394.147
Base-Backbone interact. energy: 6.541
local terms energy: -491.966068
where:
bonds (distance) C4'-P energy: -100.973
bonds (distance) P-C4' energy: -113.994
flat angles C4'-P-C4' energy: -109.617
flat angles P-C4'-P energy: -80.803
tors. eta vs tors. theta energy: -86.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -985.613755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.613755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.613755 (E_RNA)
where:
Base-Base interactions energy: -581.697
where: short stacking energy: -312.654
Base-Backbone interact. energy: 1.229
local terms energy: -405.146260
where:
bonds (distance) C4'-P energy: -95.764
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -111.054
flat angles P-C4'-P energy: -55.244
tors. eta vs tors. theta energy: -45.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -865.915939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.915939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.915939 (E_RNA)
where:
Base-Base interactions energy: -475.827
where: short stacking energy: -262.961
Base-Backbone interact. energy: 6.426
local terms energy: -396.514599
where:
bonds (distance) C4'-P energy: -108.687
bonds (distance) P-C4' energy: -103.384
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -56.925
tors. eta vs tors. theta energy: -39.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -500.965700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.965700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.965700 (E_RNA)
where:
Base-Base interactions energy: -201.173
where: short stacking energy: -134.279
Base-Backbone interact. energy: 6.586
local terms energy: -306.379265
where:
bonds (distance) C4'-P energy: -93.549
bonds (distance) P-C4' energy: -89.274
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: 24.410
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: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2173.372176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.372176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.372176 (E_RNA)
where:
Base-Base interactions energy: -1464.144
where: short stacking energy: -659.024
Base-Backbone interact. energy: -0.046
local terms energy: -709.182184
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -126.756
flat angles C4'-P-C4' energy: -146.642
flat angles P-C4'-P energy: -103.828
tors. eta vs tors. theta energy: -215.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2120.327414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.327414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.327414 (E_RNA)
where:
Base-Base interactions energy: -1453.726
where: short stacking energy: -607.843
Base-Backbone interact. energy: -2.075
local terms energy: -664.526566
where:
bonds (distance) C4'-P energy: -126.293
bonds (distance) P-C4' energy: -128.956
flat angles C4'-P-C4' energy: -142.682
flat angles P-C4'-P energy: -97.298
tors. eta vs tors. theta energy: -169.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1992.625826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.625826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.625826 (E_RNA)
where:
Base-Base interactions energy: -1390.197
where: short stacking energy: -592.779
Base-Backbone interact. energy: -2.810
local terms energy: -599.618568
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -122.286
flat angles C4'-P-C4' energy: -124.449
flat angles P-C4'-P energy: -80.528
tors. eta vs tors. theta energy: -152.637
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: 434
Temperature: 1.050000
Total energy: -1945.304329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.304329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.304329 (E_RNA)
where:
Base-Base interactions energy: -1358.737
where: short stacking energy: -544.373
Base-Backbone interact. energy: -4.665
local terms energy: -581.901874
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -126.265
flat angles P-C4'-P energy: -81.347
tors. eta vs tors. theta energy: -141.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1741.611416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.611416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.611416 (E_RNA)
where:
Base-Base interactions energy: -1160.561
where: short stacking energy: -494.184
Base-Backbone interact. energy: -0.477
local terms energy: -580.573896
where:
bonds (distance) C4'-P energy: -108.289
bonds (distance) P-C4' energy: -119.389
flat angles C4'-P-C4' energy: -138.708
flat angles P-C4'-P energy: -77.759
tors. eta vs tors. theta energy: -136.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1563.032734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.032734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.032734 (E_RNA)
where:
Base-Base interactions energy: -1040.606
where: short stacking energy: -497.622
Base-Backbone interact. energy: -0.221
local terms energy: -522.205846
where:
bonds (distance) C4'-P energy: -93.665
bonds (distance) P-C4' energy: -104.158
flat angles C4'-P-C4' energy: -116.516
flat angles P-C4'-P energy: -75.270
tors. eta vs tors. theta energy: -132.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1317.452054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.452054 (E_RNA)
where:
Base-Base interactions energy: -815.437
where: short stacking energy: -398.863
Base-Backbone interact. energy: -2.092
local terms energy: -499.923047
where:
bonds (distance) C4'-P energy: -122.866
bonds (distance) P-C4' energy: -111.676
flat angles C4'-P-C4' energy: -118.273
flat angles P-C4'-P energy: -66.671
tors. eta vs tors. theta energy: -80.436
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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -993.687492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.687492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.687492 (E_RNA)
where:
Base-Base interactions energy: -562.428
where: short stacking energy: -284.443
Base-Backbone interact. energy: -2.200
local terms energy: -429.059359
where:
bonds (distance) C4'-P energy: -111.484
bonds (distance) P-C4' energy: -115.652
flat angles C4'-P-C4' energy: -110.385
flat angles P-C4'-P energy: -58.298
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -847.393180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.393180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.393180 (E_RNA)
where:
Base-Base interactions energy: -449.153
where: short stacking energy: -234.266
Base-Backbone interact. energy: 1.462
local terms energy: -399.702559
where:
bonds (distance) C4'-P energy: -84.376
bonds (distance) P-C4' energy: -121.837
flat angles C4'-P-C4' energy: -115.279
flat angles P-C4'-P energy: -52.397
tors. eta vs tors. theta energy: -25.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -475.918551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.918551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.918551 (E_RNA)
where:
Base-Base interactions energy: -153.047
where: short stacking energy: -124.281
Base-Backbone interact. energy: -0.229
local terms energy: -322.642876
where:
bonds (distance) C4'-P energy: -94.283
bonds (distance) P-C4' energy: -102.010
flat angles C4'-P-C4' energy: -83.809
flat angles P-C4'-P energy: -56.480
tors. eta vs tors. theta energy: 13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2185.674366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.674366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.674366 (E_RNA)
where:
Base-Base interactions energy: -1490.915
where: short stacking energy: -644.712
Base-Backbone interact. energy: -1.594
local terms energy: -693.164928
where:
bonds (distance) C4'-P energy: -125.775
bonds (distance) P-C4' energy: -124.233
flat angles C4'-P-C4' energy: -133.548
flat angles P-C4'-P energy: -104.931
tors. eta vs tors. theta energy: -204.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2111.251647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.251647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.251647 (E_RNA)
where:
Base-Base interactions energy: -1457.270
where: short stacking energy: -609.449
Base-Backbone interact. energy: -2.069
local terms energy: -651.913540
where:
bonds (distance) C4'-P energy: -118.349
bonds (distance) P-C4' energy: -119.390
flat angles C4'-P-C4' energy: -135.560
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -183.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1942.140523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.140523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.140523 (E_RNA)
where:
Base-Base interactions energy: -1338.285
where: short stacking energy: -576.300
Base-Backbone interact. energy: 3.270
local terms energy: -607.126302
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -120.466
flat angles C4'-P-C4' energy: -132.927
flat angles P-C4'-P energy: -83.933
tors. eta vs tors. theta energy: -165.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1932.642081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.642081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.642081 (E_RNA)
where:
Base-Base interactions energy: -1339.185
where: short stacking energy: -555.425
Base-Backbone interact. energy: -3.102
local terms energy: -590.355934
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -126.310
flat angles C4'-P-C4' energy: -125.798
flat angles P-C4'-P energy: -85.396
tors. eta vs tors. theta energy: -143.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1763.056338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.056338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.056338 (E_RNA)
where:
Base-Base interactions energy: -1189.641
where: short stacking energy: -513.329
Base-Backbone interact. energy: -0.605
local terms energy: -572.809569
where:
bonds (distance) C4'-P energy: -118.015
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -124.683
flat angles P-C4'-P energy: -85.410
tors. eta vs tors. theta energy: -139.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1590.696253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.696253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.696253 (E_RNA)
where:
Base-Base interactions energy: -1066.671
where: short stacking energy: -506.084
Base-Backbone interact. energy: -2.334
local terms energy: -521.691130
where:
bonds (distance) C4'-P energy: -86.181
bonds (distance) P-C4' energy: -107.487
flat angles C4'-P-C4' energy: -121.969
flat angles P-C4'-P energy: -75.425
tors. eta vs tors. theta energy: -130.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1306.560823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.560823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.560823 (E_RNA)
where:
Base-Base interactions energy: -819.674
where: short stacking energy: -390.505
Base-Backbone interact. energy: -1.027
local terms energy: -485.859589
where:
bonds (distance) C4'-P energy: -101.670
bonds (distance) P-C4' energy: -105.188
flat angles C4'-P-C4' energy: -106.100
flat angles P-C4'-P energy: -82.066
tors. eta vs tors. theta energy: -90.835
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: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -953.633154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.633154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.633154 (E_RNA)
where:
Base-Base interactions energy: -556.991
where: short stacking energy: -268.980
Base-Backbone interact. energy: -1.208
local terms energy: -395.434369
where:
bonds (distance) C4'-P energy: -92.544
bonds (distance) P-C4' energy: -113.231
flat angles C4'-P-C4' energy: -107.112
flat angles P-C4'-P energy: -57.896
tors. eta vs tors. theta energy: -24.651
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: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -837.101172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.101172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.101172 (E_RNA)
where:
Base-Base interactions energy: -440.273
where: short stacking energy: -229.738
Base-Backbone interact. energy: -1.008
local terms energy: -395.820229
where:
bonds (distance) C4'-P energy: -87.756
bonds (distance) P-C4' energy: -120.354
flat angles C4'-P-C4' energy: -104.275
flat angles P-C4'-P energy: -63.697
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -510.890042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.890042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.890042 (E_RNA)
where:
Base-Base interactions energy: -184.100
where: short stacking energy: -131.475
Base-Backbone interact. energy: 0.051
local terms energy: -326.840516
where:
bonds (distance) C4'-P energy: -107.816
bonds (distance) P-C4' energy: -109.465
flat angles C4'-P-C4' energy: -73.664
flat angles P-C4'-P energy: -66.242
tors. eta vs tors. theta energy: 30.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2178.041113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.041113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.041113 (E_RNA)
where:
Base-Base interactions energy: -1484.306
where: short stacking energy: -659.310
Base-Backbone interact. energy: -3.159
local terms energy: -690.576355
where:
bonds (distance) C4'-P energy: -110.240
bonds (distance) P-C4' energy: -129.203
flat angles C4'-P-C4' energy: -146.229
flat angles P-C4'-P energy: -95.626
tors. eta vs tors. theta energy: -209.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2110.274555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.274555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.274555 (E_RNA)
where:
Base-Base interactions energy: -1465.005
where: short stacking energy: -604.310
Base-Backbone interact. energy: -0.403
local terms energy: -644.866348
where:
bonds (distance) C4'-P energy: -117.273
bonds (distance) P-C4' energy: -122.119
flat angles C4'-P-C4' energy: -142.975
flat angles P-C4'-P energy: -94.860
tors. eta vs tors. theta energy: -167.640
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1972.212475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.212475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.212475 (E_RNA)
where:
Base-Base interactions energy: -1362.182
where: short stacking energy: -562.728
Base-Backbone interact. energy: 4.802
local terms energy: -614.832477
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -119.239
flat angles C4'-P-C4' energy: -132.460
flat angles P-C4'-P energy: -90.583
tors. eta vs tors. theta energy: -165.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1931.283922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.283922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.283922 (E_RNA)
where:
Base-Base interactions energy: -1332.620
where: short stacking energy: -542.191
Base-Backbone interact. energy: -0.760
local terms energy: -597.903550
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -133.447
flat angles C4'-P-C4' energy: -127.265
flat angles P-C4'-P energy: -95.388
tors. eta vs tors. theta energy: -145.764
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1739.288958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.288958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.288958 (E_RNA)
where:
Base-Base interactions energy: -1186.679
where: short stacking energy: -509.760
Base-Backbone interact. energy: 6.624
local terms energy: -559.234251
where:
bonds (distance) C4'-P energy: -110.333
bonds (distance) P-C4' energy: -111.493
flat angles C4'-P-C4' energy: -134.952
flat angles P-C4'-P energy: -56.474
tors. eta vs tors. theta energy: -145.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1553.772568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.772568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.772568 (E_RNA)
where:
Base-Base interactions energy: -1024.180
where: short stacking energy: -476.387
Base-Backbone interact. energy: -0.999
local terms energy: -528.594113
where:
bonds (distance) C4'-P energy: -100.012
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -134.651
flat angles P-C4'-P energy: -82.790
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: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1336.007300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.007300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.007300 (E_RNA)
where:
Base-Base interactions energy: -868.485
where: short stacking energy: -389.133
Base-Backbone interact. energy: -2.428
local terms energy: -465.094576
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -106.808
flat angles C4'-P-C4' energy: -100.674
flat angles P-C4'-P energy: -67.725
tors. eta vs tors. theta energy: -89.096
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: 436
Temperature: 1.250000
Total energy: -1001.461082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.461082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.461082 (E_RNA)
where:
Base-Base interactions energy: -575.081
where: short stacking energy: -295.110
Base-Backbone interact. energy: 1.513
local terms energy: -427.892964
where:
bonds (distance) C4'-P energy: -111.406
bonds (distance) P-C4' energy: -102.809
flat angles C4'-P-C4' energy: -106.475
flat angles P-C4'-P energy: -56.602
tors. eta vs tors. theta energy: -50.602
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: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -872.770120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.770120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.770120 (E_RNA)
where:
Base-Base interactions energy: -456.714
where: short stacking energy: -233.741
Base-Backbone interact. energy: 0.978
local terms energy: -417.033739
where:
bonds (distance) C4'-P energy: -113.818
bonds (distance) P-C4' energy: -113.058
flat angles C4'-P-C4' energy: -101.541
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -499.319606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.319606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.319606 (E_RNA)
where:
Base-Base interactions energy: -212.143
where: short stacking energy: -178.827
Base-Backbone interact. energy: 2.440
local terms energy: -289.615759
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -104.350
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: 15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2173.681266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.681266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.681266 (E_RNA)
where:
Base-Base interactions energy: -1463.407
where: short stacking energy: -647.073
Base-Backbone interact. energy: -1.540
local terms energy: -708.734369
where:
bonds (distance) C4'-P energy: -133.014
bonds (distance) P-C4' energy: -125.939
flat angles C4'-P-C4' energy: -150.105
flat angles P-C4'-P energy: -96.614
tors. eta vs tors. theta energy: -203.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2136.635969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.635969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.635969 (E_RNA)
where:
Base-Base interactions energy: -1461.645
where: short stacking energy: -625.136
Base-Backbone interact. energy: -4.239
local terms energy: -670.752110
where:
bonds (distance) C4'-P energy: -123.713
bonds (distance) P-C4' energy: -132.141
flat angles C4'-P-C4' energy: -136.581
flat angles P-C4'-P energy: -103.844
tors. eta vs tors. theta energy: -174.473
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1997.080502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.080502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.080502 (E_RNA)
where:
Base-Base interactions energy: -1386.111
where: short stacking energy: -608.646
Base-Backbone interact. energy: -3.189
local terms energy: -607.781227
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -113.690
flat angles C4'-P-C4' energy: -119.607
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -163.353
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: 437
Temperature: 1.050000
Total energy: -1903.554134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.554134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.554134 (E_RNA)
where:
Base-Base interactions energy: -1305.710
where: short stacking energy: -524.954
Base-Backbone interact. energy: 1.805
local terms energy: -599.648718
where:
bonds (distance) C4'-P energy: -93.306
bonds (distance) P-C4' energy: -137.753
flat angles C4'-P-C4' energy: -142.912
flat angles P-C4'-P energy: -89.486
tors. eta vs tors. theta energy: -136.192
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: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1634.655885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.655885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.655885 (E_RNA)
where:
Base-Base interactions energy: -1083.759
where: short stacking energy: -458.491
Base-Backbone interact. energy: 1.418
local terms energy: -552.314958
where:
bonds (distance) C4'-P energy: -103.161
bonds (distance) P-C4' energy: -111.586
flat angles C4'-P-C4' energy: -133.161
flat angles P-C4'-P energy: -81.176
tors. eta vs tors. theta energy: -123.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1561.181997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.181997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.181997 (E_RNA)
where:
Base-Base interactions energy: -1020.610
where: short stacking energy: -465.653
Base-Backbone interact. energy: -0.545
local terms energy: -540.027076
where:
bonds (distance) C4'-P energy: -109.850
bonds (distance) P-C4' energy: -94.746
flat angles C4'-P-C4' energy: -119.080
flat angles P-C4'-P energy: -87.185
tors. eta vs tors. theta energy: -129.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1280.690698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.690698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.690698 (E_RNA)
where:
Base-Base interactions energy: -807.104
where: short stacking energy: -381.110
Base-Backbone interact. energy: -0.599
local terms energy: -472.987615
where:
bonds (distance) C4'-P energy: -101.214
bonds (distance) P-C4' energy: -118.069
flat angles C4'-P-C4' energy: -92.029
flat angles P-C4'-P energy: -80.004
tors. eta vs tors. theta energy: -81.672
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: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -957.503966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.503966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.503966 (E_RNA)
where:
Base-Base interactions energy: -541.695
where: short stacking energy: -272.536
Base-Backbone interact. energy: -3.879
local terms energy: -411.929929
where:
bonds (distance) C4'-P energy: -92.429
bonds (distance) P-C4' energy: -101.097
flat angles C4'-P-C4' energy: -100.038
flat angles P-C4'-P energy: -83.317
tors. eta vs tors. theta energy: -35.050
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: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -918.789094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.789094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.789094 (E_RNA)
where:
Base-Base interactions energy: -533.696
where: short stacking energy: -265.679
Base-Backbone interact. energy: 3.055
local terms energy: -388.147653
where:
bonds (distance) C4'-P energy: -91.767
bonds (distance) P-C4' energy: -105.506
flat angles C4'-P-C4' energy: -88.345
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -497.328516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.328516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.328516 (E_RNA)
where:
Base-Base interactions energy: -194.239
where: short stacking energy: -152.160
Base-Backbone interact. energy: 0.091
local terms energy: -303.180776
where:
bonds (distance) C4'-P energy: -86.145
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -104.320
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: 29.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2168.466665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.466665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.466665 (E_RNA)
where:
Base-Base interactions energy: -1461.312
where: short stacking energy: -632.059
Base-Backbone interact. energy: -1.463
local terms energy: -705.691155
where:
bonds (distance) C4'-P energy: -120.491
bonds (distance) P-C4' energy: -131.888
flat angles C4'-P-C4' energy: -154.525
flat angles P-C4'-P energy: -92.141
tors. eta vs tors. theta energy: -206.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2137.124612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.124612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.124612 (E_RNA)
where:
Base-Base interactions energy: -1474.116
where: short stacking energy: -625.352
Base-Backbone interact. energy: -0.449
local terms energy: -662.559780
where:
bonds (distance) C4'-P energy: -125.890
bonds (distance) P-C4' energy: -122.913
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -85.692
tors. eta vs tors. theta energy: -193.229
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: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2039.126788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.126788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.126788 (E_RNA)
where:
Base-Base interactions energy: -1388.079
where: short stacking energy: -586.494
Base-Backbone interact. energy: -8.203
local terms energy: -642.844659
where:
bonds (distance) C4'-P energy: -110.705
bonds (distance) P-C4' energy: -129.389
flat angles C4'-P-C4' energy: -132.955
flat angles P-C4'-P energy: -98.841
tors. eta vs tors. theta energy: -170.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1948.045845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.045845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.045845 (E_RNA)
where:
Base-Base interactions energy: -1367.852
where: short stacking energy: -576.756
Base-Backbone interact. energy: -1.759
local terms energy: -578.434940
where:
bonds (distance) C4'-P energy: -103.741
bonds (distance) P-C4' energy: -112.287
flat angles C4'-P-C4' energy: -130.201
flat angles P-C4'-P energy: -78.087
tors. eta vs tors. theta energy: -154.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1666.641365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.641365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.641365 (E_RNA)
where:
Base-Base interactions energy: -1099.538
where: short stacking energy: -497.079
Base-Backbone interact. energy: -0.896
local terms energy: -566.206984
where:
bonds (distance) C4'-P energy: -115.378
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -115.897
flat angles P-C4'-P energy: -83.493
tors. eta vs tors. theta energy: -139.969
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: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1510.092205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.092205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.092205 (E_RNA)
where:
Base-Base interactions energy: -972.940
where: short stacking energy: -448.414
Base-Backbone interact. energy: -2.890
local terms energy: -534.262053
where:
bonds (distance) C4'-P energy: -111.302
bonds (distance) P-C4' energy: -110.374
flat angles C4'-P-C4' energy: -121.409
flat angles P-C4'-P energy: -70.544
tors. eta vs tors. theta energy: -120.632
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: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1312.308308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.308308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.308308 (E_RNA)
where:
Base-Base interactions energy: -825.081
where: short stacking energy: -365.643
Base-Backbone interact. energy: -0.157
local terms energy: -487.070601
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -105.988
flat angles C4'-P-C4' energy: -116.985
flat angles P-C4'-P energy: -74.397
tors. eta vs tors. theta energy: -89.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1003.056353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.056353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.056353 (E_RNA)
where:
Base-Base interactions energy: -596.730
where: short stacking energy: -307.840
Base-Backbone interact. energy: 1.217
local terms energy: -407.543192
where:
bonds (distance) C4'-P energy: -88.151
bonds (distance) P-C4' energy: -99.425
flat angles C4'-P-C4' energy: -110.298
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -49.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -919.396582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.396582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.396582 (E_RNA)
where:
Base-Base interactions energy: -516.301
where: short stacking energy: -264.399
Base-Backbone interact. energy: 0.256
local terms energy: -403.350835
where:
bonds (distance) C4'-P energy: -101.064
bonds (distance) P-C4' energy: -108.463
flat angles C4'-P-C4' energy: -104.240
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -32.845
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: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -514.691478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.691478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.691478 (E_RNA)
where:
Base-Base interactions energy: -196.867
where: short stacking energy: -150.252
Base-Backbone interact. energy: -1.030
local terms energy: -316.794400
where:
bonds (distance) C4'-P energy: -92.788
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -89.037
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: 6.856
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: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2157.270426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.270426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.270426 (E_RNA)
where:
Base-Base interactions energy: -1470.257
where: short stacking energy: -660.460
Base-Backbone interact. energy: -0.532
local terms energy: -686.481351
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -121.172
flat angles C4'-P-C4' energy: -147.664
flat angles P-C4'-P energy: -86.765
tors. eta vs tors. theta energy: -208.933
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: 439
Temperature: 0.950000
Total energy: -2136.503849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.503849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.503849 (E_RNA)
where:
Base-Base interactions energy: -1475.605
where: short stacking energy: -629.357
Base-Backbone interact. energy: -2.505
local terms energy: -658.394287
where:
bonds (distance) C4'-P energy: -119.599
bonds (distance) P-C4' energy: -121.388
flat angles C4'-P-C4' energy: -141.731
flat angles P-C4'-P energy: -89.171
tors. eta vs tors. theta energy: -186.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1998.826548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.826548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.826548 (E_RNA)
where:
Base-Base interactions energy: -1390.140
where: short stacking energy: -586.785
Base-Backbone interact. energy: -1.113
local terms energy: -607.573352
where:
bonds (distance) C4'-P energy: -116.532
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -126.497
flat angles P-C4'-P energy: -82.535
tors. eta vs tors. theta energy: -161.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1947.884493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.884493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.884493 (E_RNA)
where:
Base-Base interactions energy: -1378.601
where: short stacking energy: -569.520
Base-Backbone interact. energy: -3.362
local terms energy: -565.921302
where:
bonds (distance) C4'-P energy: -107.758
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -134.723
flat angles P-C4'-P energy: -74.092
tors. eta vs tors. theta energy: -138.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1717.600716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.600716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.600716 (E_RNA)
where:
Base-Base interactions energy: -1108.872
where: short stacking energy: -504.693
Base-Backbone interact. energy: -2.491
local terms energy: -606.237668
where:
bonds (distance) C4'-P energy: -104.541
bonds (distance) P-C4' energy: -120.169
flat angles C4'-P-C4' energy: -145.593
flat angles P-C4'-P energy: -94.547
tors. eta vs tors. theta energy: -141.387
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1569.203044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.203044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.203044 (E_RNA)
where:
Base-Base interactions energy: -1012.451
where: short stacking energy: -449.177
Base-Backbone interact. energy: -0.979
local terms energy: -555.773118
where:
bonds (distance) C4'-P energy: -126.240
bonds (distance) P-C4' energy: -111.926
flat angles C4'-P-C4' energy: -128.662
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -113.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1449.368946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.368946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.368946 (E_RNA)
where:
Base-Base interactions energy: -982.176
where: short stacking energy: -418.303
Base-Backbone interact. energy: 0.612
local terms energy: -467.804857
where:
bonds (distance) C4'-P energy: -99.405
bonds (distance) P-C4' energy: -97.966
flat angles C4'-P-C4' energy: -121.874
flat angles P-C4'-P energy: -61.050
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: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -983.610890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.610890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.610890 (E_RNA)
where:
Base-Base interactions energy: -546.116
where: short stacking energy: -275.933
Base-Backbone interact. energy: -1.374
local terms energy: -436.121411
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -125.845
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -74.904
tors. eta vs tors. theta energy: -33.092
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: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -932.910429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.910429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.910429 (E_RNA)
where:
Base-Base interactions energy: -516.357
where: short stacking energy: -255.898
Base-Backbone interact. energy: 2.005
local terms energy: -418.558352
where:
bonds (distance) C4'-P energy: -102.132
bonds (distance) P-C4' energy: -106.711
flat angles C4'-P-C4' energy: -108.320
flat angles P-C4'-P energy: -72.471
tors. eta vs tors. theta energy: -28.925
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: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -500.151524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.151524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.151524 (E_RNA)
where:
Base-Base interactions energy: -192.609
where: short stacking energy: -148.221
Base-Backbone interact. energy: -3.847
local terms energy: -303.694959
where:
bonds (distance) C4'-P energy: -86.112
bonds (distance) P-C4' energy: -103.025
flat angles C4'-P-C4' energy: -82.910
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: 22.741
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: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2165.975698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.975698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.975698 (E_RNA)
where:
Base-Base interactions energy: -1475.387
where: short stacking energy: -669.914
Base-Backbone interact. energy: -2.941
local terms energy: -687.647164
where:
bonds (distance) C4'-P energy: -120.713
bonds (distance) P-C4' energy: -123.820
flat angles C4'-P-C4' energy: -142.465
flat angles P-C4'-P energy: -99.602
tors. eta vs tors. theta energy: -201.047
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2142.405419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.405419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.405419 (E_RNA)
where:
Base-Base interactions energy: -1494.728
where: short stacking energy: -619.342
Base-Backbone interact. energy: -3.470
local terms energy: -644.207311
where:
bonds (distance) C4'-P energy: -122.114
bonds (distance) P-C4' energy: -120.208
flat angles C4'-P-C4' energy: -137.579
flat angles P-C4'-P energy: -78.615
tors. eta vs tors. theta energy: -185.691
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: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1984.941888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.941888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.941888 (E_RNA)
where:
Base-Base interactions energy: -1378.274
where: short stacking energy: -565.905
Base-Backbone interact. energy: -0.593
local terms energy: -606.075289
where:
bonds (distance) C4'-P energy: -111.510
bonds (distance) P-C4' energy: -120.663
flat angles C4'-P-C4' energy: -130.666
flat angles P-C4'-P energy: -87.100
tors. eta vs tors. theta energy: -156.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1959.263946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.263946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.263946 (E_RNA)
where:
Base-Base interactions energy: -1377.368
where: short stacking energy: -558.250
Base-Backbone interact. energy: -0.679
local terms energy: -581.217248
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -123.087
flat angles C4'-P-C4' energy: -128.368
flat angles P-C4'-P energy: -88.935
tors. eta vs tors. theta energy: -138.259
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1710.128728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.128728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.128728 (E_RNA)
where:
Base-Base interactions energy: -1139.910
where: short stacking energy: -495.060
Base-Backbone interact. energy: -1.754
local terms energy: -568.464523
where:
bonds (distance) C4'-P energy: -120.156
bonds (distance) P-C4' energy: -103.663
flat angles C4'-P-C4' energy: -121.434
flat angles P-C4'-P energy: -84.137
tors. eta vs tors. theta energy: -139.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1599.295506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.295506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.295506 (E_RNA)
where:
Base-Base interactions energy: -1077.430
where: short stacking energy: -462.990
Base-Backbone interact. energy: -0.820
local terms energy: -521.045415
where:
bonds (distance) C4'-P energy: -107.301
bonds (distance) P-C4' energy: -98.433
flat angles C4'-P-C4' energy: -122.574
flat angles P-C4'-P energy: -72.844
tors. eta vs tors. theta energy: -119.894
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: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1430.158484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.158484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.158484 (E_RNA)
where:
Base-Base interactions energy: -947.394
where: short stacking energy: -432.551
Base-Backbone interact. energy: -2.331
local terms energy: -480.434037
where:
bonds (distance) C4'-P energy: -80.890
bonds (distance) P-C4' energy: -111.051
flat angles C4'-P-C4' energy: -117.840
flat angles P-C4'-P energy: -75.067
tors. eta vs tors. theta energy: -95.585
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: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -972.533435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.533435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.533435 (E_RNA)
where:
Base-Base interactions energy: -538.826
where: short stacking energy: -287.472
Base-Backbone interact. energy: 2.464
local terms energy: -436.171485
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -98.011
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -44.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -924.439335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.439335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.439335 (E_RNA)
where:
Base-Base interactions energy: -534.879
where: short stacking energy: -272.786
Base-Backbone interact. energy: 0.620
local terms energy: -390.180965
where:
bonds (distance) C4'-P energy: -97.897
bonds (distance) P-C4' energy: -120.000
flat angles C4'-P-C4' energy: -93.926
flat angles P-C4'-P energy: -51.753
tors. eta vs tors. theta energy: -26.605
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: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -537.663315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.663315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.663315 (E_RNA)
where:
Base-Base interactions energy: -199.919
where: short stacking energy: -133.227
Base-Backbone interact. energy: -2.015
local terms energy: -335.729793
where:
bonds (distance) C4'-P energy: -105.336
bonds (distance) P-C4' energy: -97.104
flat angles C4'-P-C4' energy: -99.056
flat angles P-C4'-P energy: -46.341
tors. eta vs tors. theta energy: 12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2159.896919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.896919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.896919 (E_RNA)
where:
Base-Base interactions energy: -1459.206
where: short stacking energy: -642.944
Base-Backbone interact. energy: -1.187
local terms energy: -699.503383
where:
bonds (distance) C4'-P energy: -129.492
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -151.253
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: -201.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2125.669669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.669669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.669669 (E_RNA)
where:
Base-Base interactions energy: -1454.621
where: short stacking energy: -617.204
Base-Backbone interact. energy: -3.332
local terms energy: -667.716169
where:
bonds (distance) C4'-P energy: -124.000
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -152.211
flat angles P-C4'-P energy: -100.627
tors. eta vs tors. theta energy: -177.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1933.290081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.290081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.290081 (E_RNA)
where:
Base-Base interactions energy: -1333.522
where: short stacking energy: -539.927
Base-Backbone interact. energy: -5.494
local terms energy: -594.273910
where:
bonds (distance) C4'-P energy: -115.880
bonds (distance) P-C4' energy: -133.281
flat angles C4'-P-C4' energy: -126.999
flat angles P-C4'-P energy: -72.352
tors. eta vs tors. theta energy: -145.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1975.400587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.400587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.400587 (E_RNA)
where:
Base-Base interactions energy: -1390.850
where: short stacking energy: -565.712
Base-Backbone interact. energy: 0.137
local terms energy: -584.687443
where:
bonds (distance) C4'-P energy: -111.346
bonds (distance) P-C4' energy: -114.129
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -91.349
tors. eta vs tors. theta energy: -143.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1687.224139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.224139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.224139 (E_RNA)
where:
Base-Base interactions energy: -1150.100
where: short stacking energy: -498.448
Base-Backbone interact. energy: -2.041
local terms energy: -535.083018
where:
bonds (distance) C4'-P energy: -111.198
bonds (distance) P-C4' energy: -96.230
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -72.065
tors. eta vs tors. theta energy: -141.236
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: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1555.329407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.329407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.329407 (E_RNA)
where:
Base-Base interactions energy: -1052.153
where: short stacking energy: -451.148
Base-Backbone interact. energy: 4.838
local terms energy: -508.013715
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -102.077
flat angles C4'-P-C4' energy: -97.611
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -114.162
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: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1523.853845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.853845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.853845 (E_RNA)
where:
Base-Base interactions energy: -997.618
where: short stacking energy: -463.481
Base-Backbone interact. energy: -1.474
local terms energy: -524.761814
where:
bonds (distance) C4'-P energy: -106.289
bonds (distance) P-C4' energy: -106.671
flat angles C4'-P-C4' energy: -124.533
flat angles P-C4'-P energy: -68.965
tors. eta vs tors. theta energy: -118.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -979.390136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.390136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.390136 (E_RNA)
where:
Base-Base interactions energy: -559.749
where: short stacking energy: -302.851
Base-Backbone interact. energy: -0.221
local terms energy: -419.420351
where:
bonds (distance) C4'-P energy: -88.681
bonds (distance) P-C4' energy: -97.019
flat angles C4'-P-C4' energy: -111.496
flat angles P-C4'-P energy: -61.087
tors. eta vs tors. theta energy: -61.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -905.774852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.774852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.774852 (E_RNA)
where:
Base-Base interactions energy: -535.134
where: short stacking energy: -265.319
Base-Backbone interact. energy: -0.667
local terms energy: -369.973535
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -106.425
flat angles C4'-P-C4' energy: -81.700
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -18.220
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -567.114739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.114739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.114739 (E_RNA)
where:
Base-Base interactions energy: -213.306
where: short stacking energy: -159.709
Base-Backbone interact. energy: -0.040
local terms energy: -353.767966
where:
bonds (distance) C4'-P energy: -115.168
bonds (distance) P-C4' energy: -111.820
flat angles C4'-P-C4' energy: -82.227
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: 15.093
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: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2188.029653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.029653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.029653 (E_RNA)
where:
Base-Base interactions energy: -1497.477
where: short stacking energy: -657.451
Base-Backbone interact. energy: -1.110
local terms energy: -689.441911
where:
bonds (distance) C4'-P energy: -111.990
bonds (distance) P-C4' energy: -129.246
flat angles C4'-P-C4' energy: -141.737
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -206.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2122.264945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.264945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.264945 (E_RNA)
where:
Base-Base interactions energy: -1449.192
where: short stacking energy: -606.535
Base-Backbone interact. energy: -2.340
local terms energy: -670.733417
where:
bonds (distance) C4'-P energy: -116.003
bonds (distance) P-C4' energy: -130.949
flat angles C4'-P-C4' energy: -147.110
flat angles P-C4'-P energy: -91.966
tors. eta vs tors. theta energy: -184.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2033.474076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.474076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.474076 (E_RNA)
where:
Base-Base interactions energy: -1402.681
where: short stacking energy: -574.499
Base-Backbone interact. energy: -3.156
local terms energy: -627.636316
where:
bonds (distance) C4'-P energy: -117.240
bonds (distance) P-C4' energy: -122.045
flat angles C4'-P-C4' energy: -136.709
flat angles P-C4'-P energy: -96.837
tors. eta vs tors. theta energy: -154.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1912.385596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.385596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.385596 (E_RNA)
where:
Base-Base interactions energy: -1329.140
where: short stacking energy: -535.145
Base-Backbone interact. energy: -2.445
local terms energy: -580.800881
where:
bonds (distance) C4'-P energy: -102.703
bonds (distance) P-C4' energy: -129.193
flat angles C4'-P-C4' energy: -119.277
flat angles P-C4'-P energy: -80.221
tors. eta vs tors. theta energy: -149.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1689.043603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.043603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.043603 (E_RNA)
where:
Base-Base interactions energy: -1152.873
where: short stacking energy: -464.063
Base-Backbone interact. energy: 1.137
local terms energy: -537.307810
where:
bonds (distance) C4'-P energy: -112.008
bonds (distance) P-C4' energy: -104.204
flat angles C4'-P-C4' energy: -130.176
flat angles P-C4'-P energy: -77.063
tors. eta vs tors. theta energy: -113.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1587.883130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.883130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.883130 (E_RNA)
where:
Base-Base interactions energy: -1057.637
where: short stacking energy: -471.716
Base-Backbone interact. energy: -2.153
local terms energy: -528.093188
where:
bonds (distance) C4'-P energy: -107.613
bonds (distance) P-C4' energy: -96.833
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -118.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1539.612703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.612703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.612703 (E_RNA)
where:
Base-Base interactions energy: -1025.773
where: short stacking energy: -457.796
Base-Backbone interact. energy: -2.028
local terms energy: -511.811628
where:
bonds (distance) C4'-P energy: -120.834
bonds (distance) P-C4' energy: -92.269
flat angles C4'-P-C4' energy: -110.065
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -117.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1005.793302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.793302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.793302 (E_RNA)
where:
Base-Base interactions energy: -588.840
where: short stacking energy: -303.093
Base-Backbone interact. energy: 2.772
local terms energy: -419.724751
where:
bonds (distance) C4'-P energy: -112.692
bonds (distance) P-C4' energy: -92.627
flat angles C4'-P-C4' energy: -110.268
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -31.120
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: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -918.485664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.485664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.485664 (E_RNA)
where:
Base-Base interactions energy: -531.781
where: short stacking energy: -293.241
Base-Backbone interact. energy: -3.264
local terms energy: -383.441062
where:
bonds (distance) C4'-P energy: -91.750
bonds (distance) P-C4' energy: -104.907
flat angles C4'-P-C4' energy: -94.586
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -538.915704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.915704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.915704 (E_RNA)
where:
Base-Base interactions energy: -201.614
where: short stacking energy: -129.380
Base-Backbone interact. energy: -2.328
local terms energy: -334.973364
where:
bonds (distance) C4'-P energy: -112.581
bonds (distance) P-C4' energy: -109.422
flat angles C4'-P-C4' energy: -89.847
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: 32.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2191.486122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.486122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.486122 (E_RNA)
where:
Base-Base interactions energy: -1492.248
where: short stacking energy: -662.218
Base-Backbone interact. energy: -1.539
local terms energy: -697.699237
where:
bonds (distance) C4'-P energy: -123.318
bonds (distance) P-C4' energy: -129.294
flat angles C4'-P-C4' energy: -146.460
flat angles P-C4'-P energy: -96.326
tors. eta vs tors. theta energy: -202.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2113.992841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.992841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.992841 (E_RNA)
where:
Base-Base interactions energy: -1467.069
where: short stacking energy: -628.719
Base-Backbone interact. energy: 0.512
local terms energy: -647.435991
where:
bonds (distance) C4'-P energy: -107.367
bonds (distance) P-C4' energy: -117.167
flat angles C4'-P-C4' energy: -134.148
flat angles P-C4'-P energy: -105.619
tors. eta vs tors. theta energy: -183.135
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: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2011.769792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.769792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.769792 (E_RNA)
where:
Base-Base interactions energy: -1385.538
where: short stacking energy: -570.070
Base-Backbone interact. energy: -1.584
local terms energy: -624.647844
where:
bonds (distance) C4'-P energy: -122.340
bonds (distance) P-C4' energy: -129.437
flat angles C4'-P-C4' energy: -135.815
flat angles P-C4'-P energy: -83.971
tors. eta vs tors. theta energy: -153.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1878.830174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.830174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.830174 (E_RNA)
where:
Base-Base interactions energy: -1279.369
where: short stacking energy: -557.923
Base-Backbone interact. energy: -6.502
local terms energy: -592.959561
where:
bonds (distance) C4'-P energy: -102.791
bonds (distance) P-C4' energy: -127.172
flat angles C4'-P-C4' energy: -142.555
flat angles P-C4'-P energy: -81.438
tors. eta vs tors. theta energy: -139.004
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: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1656.990326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.990326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.990326 (E_RNA)
where:
Base-Base interactions energy: -1108.837
where: short stacking energy: -487.658
Base-Backbone interact. energy: -0.091
local terms energy: -548.062068
where:
bonds (distance) C4'-P energy: -115.853
bonds (distance) P-C4' energy: -116.878
flat angles C4'-P-C4' energy: -124.068
flat angles P-C4'-P energy: -73.742
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: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1597.914836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.914836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.914836 (E_RNA)
where:
Base-Base interactions energy: -1054.211
where: short stacking energy: -446.539
Base-Backbone interact. energy: -2.671
local terms energy: -541.033265
where:
bonds (distance) C4'-P energy: -107.291
bonds (distance) P-C4' energy: -112.318
flat angles C4'-P-C4' energy: -114.306
flat angles P-C4'-P energy: -80.032
tors. eta vs tors. theta energy: -127.087
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: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1532.922223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.922223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.922223 (E_RNA)
where:
Base-Base interactions energy: -1010.165
where: short stacking energy: -429.414
Base-Backbone interact. energy: -1.145
local terms energy: -521.612181
where:
bonds (distance) C4'-P energy: -117.698
bonds (distance) P-C4' energy: -111.712
flat angles C4'-P-C4' energy: -126.654
flat angles P-C4'-P energy: -52.331
tors. eta vs tors. theta energy: -113.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1004.994948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.994948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.994948 (E_RNA)
where:
Base-Base interactions energy: -577.819
where: short stacking energy: -282.247
Base-Backbone interact. energy: -1.428
local terms energy: -425.748163
where:
bonds (distance) C4'-P energy: -112.368
bonds (distance) P-C4' energy: -101.092
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: -46.368
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: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -908.679132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.679132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.679132 (E_RNA)
where:
Base-Base interactions energy: -497.598
where: short stacking energy: -257.940
Base-Backbone interact. energy: 1.506
local terms energy: -412.586232
where:
bonds (distance) C4'-P energy: -99.690
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -82.665
flat angles P-C4'-P energy: -75.333
tors. eta vs tors. theta energy: -34.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -571.865795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.865795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.865795 (E_RNA)
where:
Base-Base interactions energy: -235.544
where: short stacking energy: -164.644
Base-Backbone interact. energy: 0.558
local terms energy: -336.879136
where:
bonds (distance) C4'-P energy: -92.474
bonds (distance) P-C4' energy: -111.576
flat angles C4'-P-C4' energy: -81.195
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: 9.707
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: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2199.665259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.665259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.665259 (E_RNA)
where:
Base-Base interactions energy: -1491.680
where: short stacking energy: -633.136
Base-Backbone interact. energy: -1.186
local terms energy: -706.799611
where:
bonds (distance) C4'-P energy: -135.479
bonds (distance) P-C4' energy: -138.309
flat angles C4'-P-C4' energy: -140.293
flat angles P-C4'-P energy: -90.644
tors. eta vs tors. theta energy: -202.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2125.949624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.949624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.949624 (E_RNA)
where:
Base-Base interactions energy: -1462.387
where: short stacking energy: -617.008
Base-Backbone interact. energy: -6.669
local terms energy: -656.894302
where:
bonds (distance) C4'-P energy: -118.674
bonds (distance) P-C4' energy: -117.098
flat angles C4'-P-C4' energy: -144.655
flat angles P-C4'-P energy: -99.419
tors. eta vs tors. theta energy: -177.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1985.237532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.237532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.237532 (E_RNA)
where:
Base-Base interactions energy: -1379.575
where: short stacking energy: -561.780
Base-Backbone interact. energy: -2.837
local terms energy: -602.825761
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -110.273
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -92.920
tors. eta vs tors. theta energy: -147.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1898.279651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.279651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.279651 (E_RNA)
where:
Base-Base interactions energy: -1283.104
where: short stacking energy: -553.230
Base-Backbone interact. energy: -6.828
local terms energy: -608.348101
where:
bonds (distance) C4'-P energy: -112.622
bonds (distance) P-C4' energy: -119.330
flat angles C4'-P-C4' energy: -122.905
flat angles P-C4'-P energy: -97.633
tors. eta vs tors. theta energy: -155.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1625.442610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.442610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.442610 (E_RNA)
where:
Base-Base interactions energy: -1089.947
where: short stacking energy: -480.974
Base-Backbone interact. energy: 2.070
local terms energy: -537.565705
where:
bonds (distance) C4'-P energy: -118.786
bonds (distance) P-C4' energy: -101.995
flat angles C4'-P-C4' energy: -116.888
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -133.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1595.963795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.963795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.963795 (E_RNA)
where:
Base-Base interactions energy: -1043.268
where: short stacking energy: -471.940
Base-Backbone interact. energy: -4.223
local terms energy: -548.472674
where:
bonds (distance) C4'-P energy: -95.608
bonds (distance) P-C4' energy: -118.998
flat angles C4'-P-C4' energy: -122.595
flat angles P-C4'-P energy: -81.020
tors. eta vs tors. theta energy: -130.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1568.334848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.334848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.334848 (E_RNA)
where:
Base-Base interactions energy: -1030.117
where: short stacking energy: -466.947
Base-Backbone interact. energy: 1.614
local terms energy: -539.831936
where:
bonds (distance) C4'-P energy: -112.567
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -122.448
flat angles P-C4'-P energy: -76.256
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: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1023.391048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.391048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.391048 (E_RNA)
where:
Base-Base interactions energy: -583.391
where: short stacking energy: -295.568
Base-Backbone interact. energy: 0.168
local terms energy: -440.168314
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -112.745
flat angles P-C4'-P energy: -61.381
tors. eta vs tors. theta energy: -43.038
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -905.804571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.804571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.804571 (E_RNA)
where:
Base-Base interactions energy: -528.361
where: short stacking energy: -269.549
Base-Backbone interact. energy: -1.750
local terms energy: -375.692974
where:
bonds (distance) C4'-P energy: -88.754
bonds (distance) P-C4' energy: -108.765
flat angles C4'-P-C4' energy: -93.476
flat angles P-C4'-P energy: -57.505
tors. eta vs tors. theta energy: -27.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -568.712763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.712763 (E_RNA)
where:
Base-Base interactions energy: -241.366
where: short stacking energy: -156.392
Base-Backbone interact. energy: 3.842
local terms energy: -331.188744
where:
bonds (distance) C4'-P energy: -95.484
bonds (distance) P-C4' energy: -101.017
flat angles C4'-P-C4' energy: -94.606
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: 14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2209.214450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.214450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.214450 (E_RNA)
where:
Base-Base interactions energy: -1486.543
where: short stacking energy: -658.582
Base-Backbone interact. energy: -4.281
local terms energy: -718.390475
where:
bonds (distance) C4'-P energy: -126.145
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -147.755
flat angles P-C4'-P energy: -106.072
tors. eta vs tors. theta energy: -209.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2100.505742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.505742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.505742 (E_RNA)
where:
Base-Base interactions energy: -1463.722
where: short stacking energy: -602.327
Base-Backbone interact. energy: 0.711
local terms energy: -637.495441
where:
bonds (distance) C4'-P energy: -119.886
bonds (distance) P-C4' energy: -110.207
flat angles C4'-P-C4' energy: -138.778
flat angles P-C4'-P energy: -95.424
tors. eta vs tors. theta energy: -173.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1979.943596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.943596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.943596 (E_RNA)
where:
Base-Base interactions energy: -1380.026
where: short stacking energy: -550.114
Base-Backbone interact. energy: 2.038
local terms energy: -601.955615
where:
bonds (distance) C4'-P energy: -129.404
bonds (distance) P-C4' energy: -100.082
flat angles C4'-P-C4' energy: -141.276
flat angles P-C4'-P energy: -90.759
tors. eta vs tors. theta energy: -140.435
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: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1872.357490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.357490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.357490 (E_RNA)
where:
Base-Base interactions energy: -1276.157
where: short stacking energy: -527.627
Base-Backbone interact. energy: -3.830
local terms energy: -592.370554
where:
bonds (distance) C4'-P energy: -127.411
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -118.563
flat angles P-C4'-P energy: -85.471
tors. eta vs tors. theta energy: -138.588
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: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1615.112743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.112743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.112743 (E_RNA)
where:
Base-Base interactions energy: -1052.089
where: short stacking energy: -466.633
Base-Backbone interact. energy: -0.941
local terms energy: -562.082585
where:
bonds (distance) C4'-P energy: -116.998
bonds (distance) P-C4' energy: -104.659
flat angles C4'-P-C4' energy: -128.323
flat angles P-C4'-P energy: -89.567
tors. eta vs tors. theta energy: -122.537
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: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1583.735433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.735433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.735433 (E_RNA)
where:
Base-Base interactions energy: -1044.812
where: short stacking energy: -464.947
Base-Backbone interact. energy: -0.385
local terms energy: -538.538168
where:
bonds (distance) C4'-P energy: -110.043
bonds (distance) P-C4' energy: -121.747
flat angles C4'-P-C4' energy: -114.564
flat angles P-C4'-P energy: -74.463
tors. eta vs tors. theta energy: -117.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1550.677337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.677337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.677337 (E_RNA)
where:
Base-Base interactions energy: -1032.245
where: short stacking energy: -443.381
Base-Backbone interact. energy: -1.415
local terms energy: -517.017672
where:
bonds (distance) C4'-P energy: -110.912
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -117.512
flat angles P-C4'-P energy: -70.219
tors. eta vs tors. theta energy: -108.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1039.081943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.081943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.081943 (E_RNA)
where:
Base-Base interactions energy: -590.540
where: short stacking energy: -312.828
Base-Backbone interact. energy: -3.465
local terms energy: -445.076983
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -96.720
flat angles P-C4'-P energy: -69.131
tors. eta vs tors. theta energy: -75.921
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: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -915.178877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.178877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.178877 (E_RNA)
where:
Base-Base interactions energy: -522.259
where: short stacking energy: -282.605
Base-Backbone interact. energy: -3.745
local terms energy: -389.174229
where:
bonds (distance) C4'-P energy: -78.960
bonds (distance) P-C4' energy: -115.190
flat angles C4'-P-C4' energy: -85.562
flat angles P-C4'-P energy: -66.890
tors. eta vs tors. theta energy: -42.573
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: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -560.963761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.963761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.963761 (E_RNA)
where:
Base-Base interactions energy: -227.172
where: short stacking energy: -165.782
Base-Backbone interact. energy: -0.281
local terms energy: -333.510484
where:
bonds (distance) C4'-P energy: -110.822
bonds (distance) P-C4' energy: -107.647
flat angles C4'-P-C4' energy: -75.775
flat angles P-C4'-P energy: -60.900
tors. eta vs tors. theta energy: 21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2174.714376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.714376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.714376 (E_RNA)
where:
Base-Base interactions energy: -1466.792
where: short stacking energy: -664.007
Base-Backbone interact. energy: -1.122
local terms energy: -706.800343
where:
bonds (distance) C4'-P energy: -118.238
bonds (distance) P-C4' energy: -131.868
flat angles C4'-P-C4' energy: -151.469
flat angles P-C4'-P energy: -99.176
tors. eta vs tors. theta energy: -206.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2101.068827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.068827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.068827 (E_RNA)
where:
Base-Base interactions energy: -1432.832
where: short stacking energy: -609.608
Base-Backbone interact. energy: -3.605
local terms energy: -664.632237
where:
bonds (distance) C4'-P energy: -120.389
bonds (distance) P-C4' energy: -124.408
flat angles C4'-P-C4' energy: -132.129
flat angles P-C4'-P energy: -103.375
tors. eta vs tors. theta energy: -184.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2001.025695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.025695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.025695 (E_RNA)
where:
Base-Base interactions energy: -1381.262
where: short stacking energy: -574.237
Base-Backbone interact. energy: 3.563
local terms energy: -623.326762
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -125.273
flat angles C4'-P-C4' energy: -132.305
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -156.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1871.169933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.169933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.169933 (E_RNA)
where:
Base-Base interactions energy: -1284.147
where: short stacking energy: -554.101
Base-Backbone interact. energy: -4.658
local terms energy: -582.365673
where:
bonds (distance) C4'-P energy: -110.295
bonds (distance) P-C4' energy: -124.374
flat angles C4'-P-C4' energy: -127.647
flat angles P-C4'-P energy: -73.223
tors. eta vs tors. theta energy: -146.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1552.565577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.565577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.565577 (E_RNA)
where:
Base-Base interactions energy: -1030.350
where: short stacking energy: -464.473
Base-Backbone interact. energy: -0.176
local terms energy: -522.039027
where:
bonds (distance) C4'-P energy: -100.786
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -120.600
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -124.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1602.469918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.469918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.469918 (E_RNA)
where:
Base-Base interactions energy: -1051.919
where: short stacking energy: -506.183
Base-Backbone interact. energy: 4.696
local terms energy: -555.246397
where:
bonds (distance) C4'-P energy: -114.939
bonds (distance) P-C4' energy: -102.493
flat angles C4'-P-C4' energy: -131.530
flat angles P-C4'-P energy: -73.652
tors. eta vs tors. theta energy: -132.632
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: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1537.687100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.687100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.687100 (E_RNA)
where:
Base-Base interactions energy: -1005.650
where: short stacking energy: -453.929
Base-Backbone interact. energy: -0.632
local terms energy: -531.405244
where:
bonds (distance) C4'-P energy: -106.319
bonds (distance) P-C4' energy: -111.486
flat angles C4'-P-C4' energy: -116.133
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -127.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1042.385547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.385547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.385547 (E_RNA)
where:
Base-Base interactions energy: -589.531
where: short stacking energy: -315.456
Base-Backbone interact. energy: -1.815
local terms energy: -451.038935
where:
bonds (distance) C4'-P energy: -107.905
bonds (distance) P-C4' energy: -105.773
flat angles C4'-P-C4' energy: -102.749
flat angles P-C4'-P energy: -71.924
tors. eta vs tors. theta energy: -62.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -904.345163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.345163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.345163 (E_RNA)
where:
Base-Base interactions energy: -542.350
where: short stacking energy: -290.731
Base-Backbone interact. energy: 6.375
local terms energy: -368.370785
where:
bonds (distance) C4'-P energy: -105.061
bonds (distance) P-C4' energy: -97.063
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -40.038
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: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -566.271403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.271403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.271403 (E_RNA)
where:
Base-Base interactions energy: -256.204
where: short stacking energy: -180.337
Base-Backbone interact. energy: 4.952
local terms energy: -315.019565
where:
bonds (distance) C4'-P energy: -93.417
bonds (distance) P-C4' energy: -112.481
flat angles C4'-P-C4' energy: -86.300
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: 6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2212.107070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.107070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.107070 (E_RNA)
where:
Base-Base interactions energy: -1480.928
where: short stacking energy: -666.822
Base-Backbone interact. energy: -1.220
local terms energy: -729.958847
where:
bonds (distance) C4'-P energy: -135.237
bonds (distance) P-C4' energy: -130.113
flat angles C4'-P-C4' energy: -153.839
flat angles P-C4'-P energy: -100.139
tors. eta vs tors. theta energy: -210.631
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2127.534233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.534233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.534233 (E_RNA)
where:
Base-Base interactions energy: -1466.949
where: short stacking energy: -609.365
Base-Backbone interact. energy: -1.161
local terms energy: -659.424202
where:
bonds (distance) C4'-P energy: -120.505
bonds (distance) P-C4' energy: -130.014
flat angles C4'-P-C4' energy: -141.768
flat angles P-C4'-P energy: -83.904
tors. eta vs tors. theta energy: -183.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2010.783746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.783746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.783746 (E_RNA)
where:
Base-Base interactions energy: -1396.383
where: short stacking energy: -583.488
Base-Backbone interact. energy: -0.671
local terms energy: -613.729999
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -115.737
flat angles C4'-P-C4' energy: -141.876
flat angles P-C4'-P energy: -98.326
tors. eta vs tors. theta energy: -147.367
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: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1878.648007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.648007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.648007 (E_RNA)
where:
Base-Base interactions energy: -1313.131
where: short stacking energy: -543.243
Base-Backbone interact. energy: -1.593
local terms energy: -563.924009
where:
bonds (distance) C4'-P energy: -107.287
bonds (distance) P-C4' energy: -108.462
flat angles C4'-P-C4' energy: -138.673
flat angles P-C4'-P energy: -67.691
tors. eta vs tors. theta energy: -141.811
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: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1634.545080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.545080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.545080 (E_RNA)
where:
Base-Base interactions energy: -1051.854
where: short stacking energy: -480.505
Base-Backbone interact. energy: -3.398
local terms energy: -579.293217
where:
bonds (distance) C4'-P energy: -111.730
bonds (distance) P-C4' energy: -108.418
flat angles C4'-P-C4' energy: -129.961
flat angles P-C4'-P energy: -87.731
tors. eta vs tors. theta energy: -141.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1644.087872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.087872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.087872 (E_RNA)
where:
Base-Base interactions energy: -1101.910
where: short stacking energy: -476.687
Base-Backbone interact. energy: -0.891
local terms energy: -541.287743
where:
bonds (distance) C4'-P energy: -89.329
bonds (distance) P-C4' energy: -118.797
flat angles C4'-P-C4' energy: -118.517
flat angles P-C4'-P energy: -85.188
tors. eta vs tors. theta energy: -129.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1548.382418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.382418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.382418 (E_RNA)
where:
Base-Base interactions energy: -1024.761
where: short stacking energy: -443.191
Base-Backbone interact. energy: 0.258
local terms energy: -523.879900
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -107.779
flat angles C4'-P-C4' energy: -116.049
flat angles P-C4'-P energy: -63.753
tors. eta vs tors. theta energy: -115.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1020.172668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.172668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.172668 (E_RNA)
where:
Base-Base interactions energy: -608.384
where: short stacking energy: -294.686
Base-Backbone interact. energy: -4.172
local terms energy: -407.617274
where:
bonds (distance) C4'-P energy: -85.315
bonds (distance) P-C4' energy: -105.247
flat angles C4'-P-C4' energy: -112.390
flat angles P-C4'-P energy: -60.223
tors. eta vs tors. theta energy: -44.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -931.040771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.040771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.040771 (E_RNA)
where:
Base-Base interactions energy: -548.993
where: short stacking energy: -252.533
Base-Backbone interact. energy: -3.836
local terms energy: -378.211676
where:
bonds (distance) C4'-P energy: -93.228
bonds (distance) P-C4' energy: -107.762
flat angles C4'-P-C4' energy: -82.108
flat angles P-C4'-P energy: -76.160
tors. eta vs tors. theta energy: -18.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -594.904797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.904797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.904797 (E_RNA)
where:
Base-Base interactions energy: -253.987
where: short stacking energy: -162.357
Base-Backbone interact. energy: -2.186
local terms energy: -338.731744
where:
bonds (distance) C4'-P energy: -93.354
bonds (distance) P-C4' energy: -112.808
flat angles C4'-P-C4' energy: -94.510
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: 9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2166.753154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.753154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.753154 (E_RNA)
where:
Base-Base interactions energy: -1484.475
where: short stacking energy: -668.396
Base-Backbone interact. energy: -4.037
local terms energy: -678.240709
where:
bonds (distance) C4'-P energy: -117.032
bonds (distance) P-C4' energy: -127.590
flat angles C4'-P-C4' energy: -139.864
flat angles P-C4'-P energy: -93.364
tors. eta vs tors. theta energy: -200.391
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2126.667639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.667639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.667639 (E_RNA)
where:
Base-Base interactions energy: -1487.281
where: short stacking energy: -619.393
Base-Backbone interact. energy: -2.764
local terms energy: -636.622480
where:
bonds (distance) C4'-P energy: -111.842
bonds (distance) P-C4' energy: -117.937
flat angles C4'-P-C4' energy: -138.092
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -191.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1994.591795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.591795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.591795 (E_RNA)
where:
Base-Base interactions energy: -1397.475
where: short stacking energy: -570.443
Base-Backbone interact. energy: 1.779
local terms energy: -598.895327
where:
bonds (distance) C4'-P energy: -115.440
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -134.175
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -140.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1920.891077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.891077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.891077 (E_RNA)
where:
Base-Base interactions energy: -1297.570
where: short stacking energy: -557.866
Base-Backbone interact. energy: -5.220
local terms energy: -618.100865
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -129.119
flat angles C4'-P-C4' energy: -134.594
flat angles P-C4'-P energy: -79.826
tors. eta vs tors. theta energy: -161.055
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: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1711.277266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.277266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.277266 (E_RNA)
where:
Base-Base interactions energy: -1136.734
where: short stacking energy: -508.556
Base-Backbone interact. energy: -0.113
local terms energy: -574.430721
where:
bonds (distance) C4'-P energy: -114.820
bonds (distance) P-C4' energy: -119.929
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -90.633
tors. eta vs tors. theta energy: -138.528
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: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1587.741497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.741497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.741497 (E_RNA)
where:
Base-Base interactions energy: -1030.314
where: short stacking energy: -461.194
Base-Backbone interact. energy: 3.030
local terms energy: -560.457616
where:
bonds (distance) C4'-P energy: -112.189
bonds (distance) P-C4' energy: -122.471
flat angles C4'-P-C4' energy: -124.151
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -126.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1550.595077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.595077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.595077 (E_RNA)
where:
Base-Base interactions energy: -1030.470
where: short stacking energy: -466.693
Base-Backbone interact. energy: 4.226
local terms energy: -524.350841
where:
bonds (distance) C4'-P energy: -98.099
bonds (distance) P-C4' energy: -101.545
flat angles C4'-P-C4' energy: -129.278
flat angles P-C4'-P energy: -66.776
tors. eta vs tors. theta energy: -128.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1007.822565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.822565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.822565 (E_RNA)
where:
Base-Base interactions energy: -573.186
where: short stacking energy: -290.386
Base-Backbone interact. energy: 2.938
local terms energy: -437.575010
where:
bonds (distance) C4'-P energy: -126.698
bonds (distance) P-C4' energy: -121.372
flat angles C4'-P-C4' energy: -81.189
flat angles P-C4'-P energy: -69.462
tors. eta vs tors. theta energy: -38.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -943.919361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.919361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.919361 (E_RNA)
where:
Base-Base interactions energy: -551.597
where: short stacking energy: -269.574
Base-Backbone interact. energy: 3.657
local terms energy: -395.979059
where:
bonds (distance) C4'-P energy: -97.662
bonds (distance) P-C4' energy: -100.439
flat angles C4'-P-C4' energy: -103.981
flat angles P-C4'-P energy: -59.894
tors. eta vs tors. theta energy: -34.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -554.841821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.841821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.841821 (E_RNA)
where:
Base-Base interactions energy: -267.454
where: short stacking energy: -144.906
Base-Backbone interact. energy: 0.047
local terms energy: -287.434471
where:
bonds (distance) C4'-P energy: -104.443
bonds (distance) P-C4' energy: -101.764
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: 35.421
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: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2179.612628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.612628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.612628 (E_RNA)
where:
Base-Base interactions energy: -1475.817
where: short stacking energy: -644.209
Base-Backbone interact. energy: -1.832
local terms energy: -701.964342
where:
bonds (distance) C4'-P energy: -123.524
bonds (distance) P-C4' energy: -131.908
flat angles C4'-P-C4' energy: -141.236
flat angles P-C4'-P energy: -96.354
tors. eta vs tors. theta energy: -208.943
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: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2113.289149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.289149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.289149 (E_RNA)
where:
Base-Base interactions energy: -1441.189
where: short stacking energy: -615.202
Base-Backbone interact. energy: 1.187
local terms energy: -673.287432
where:
bonds (distance) C4'-P energy: -122.580
bonds (distance) P-C4' energy: -121.366
flat angles C4'-P-C4' energy: -138.941
flat angles P-C4'-P energy: -99.975
tors. eta vs tors. theta energy: -190.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2001.358189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.358189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.358189 (E_RNA)
where:
Base-Base interactions energy: -1362.158
where: short stacking energy: -570.942
Base-Backbone interact. energy: -2.261
local terms energy: -636.939250
where:
bonds (distance) C4'-P energy: -123.423
bonds (distance) P-C4' energy: -122.315
flat angles C4'-P-C4' energy: -137.517
flat angles P-C4'-P energy: -94.653
tors. eta vs tors. theta energy: -159.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1883.796747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.796747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.796747 (E_RNA)
where:
Base-Base interactions energy: -1283.711
where: short stacking energy: -541.781
Base-Backbone interact. energy: -5.242
local terms energy: -594.842906
where:
bonds (distance) C4'-P energy: -115.667
bonds (distance) P-C4' energy: -114.836
flat angles C4'-P-C4' energy: -131.038
flat angles P-C4'-P energy: -79.902
tors. eta vs tors. theta energy: -153.400
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1707.160529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.160529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.160529 (E_RNA)
where:
Base-Base interactions energy: -1126.841
where: short stacking energy: -503.841
Base-Backbone interact. energy: 0.279
local terms energy: -580.598411
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -113.139
flat angles C4'-P-C4' energy: -126.028
flat angles P-C4'-P energy: -88.056
tors. eta vs tors. theta energy: -146.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1586.354670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.354670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.354670 (E_RNA)
where:
Base-Base interactions energy: -1011.820
where: short stacking energy: -480.158
Base-Backbone interact. energy: 1.479
local terms energy: -576.013917
where:
bonds (distance) C4'-P energy: -122.345
bonds (distance) P-C4' energy: -112.928
flat angles C4'-P-C4' energy: -127.672
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -139.041
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: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1560.480649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.480649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.480649 (E_RNA)
where:
Base-Base interactions energy: -1035.666
where: short stacking energy: -441.280
Base-Backbone interact. energy: -1.443
local terms energy: -523.371329
where:
bonds (distance) C4'-P energy: -109.765
bonds (distance) P-C4' energy: -104.573
flat angles C4'-P-C4' energy: -124.482
flat angles P-C4'-P energy: -64.380
tors. eta vs tors. theta energy: -120.171
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: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1008.173879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.173879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.173879 (E_RNA)
where:
Base-Base interactions energy: -570.477
where: short stacking energy: -310.319
Base-Backbone interact. energy: 3.738
local terms energy: -441.435350
where:
bonds (distance) C4'-P energy: -105.441
bonds (distance) P-C4' energy: -107.552
flat angles C4'-P-C4' energy: -98.665
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -60.011
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: 449
Temperature: 1.300000
Total energy: -871.003536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.003536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.003536 (E_RNA)
where:
Base-Base interactions energy: -503.648
where: short stacking energy: -244.236
Base-Backbone interact. energy: -3.706
local terms energy: -363.649211
where:
bonds (distance) C4'-P energy: -96.825
bonds (distance) P-C4' energy: -103.280
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -58.831
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -600.057654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.057654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.057654 (E_RNA)
where:
Base-Base interactions energy: -247.256
where: short stacking energy: -155.357
Base-Backbone interact. energy: -0.032
local terms energy: -352.769572
where:
bonds (distance) C4'-P energy: -101.534
bonds (distance) P-C4' energy: -127.422
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: 18.280
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: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2190.446917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.446917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.446917 (E_RNA)
where:
Base-Base interactions energy: -1489.178
where: short stacking energy: -661.832
Base-Backbone interact. energy: -2.067
local terms energy: -699.200919
where:
bonds (distance) C4'-P energy: -140.610
bonds (distance) P-C4' energy: -114.849
flat angles C4'-P-C4' energy: -146.366
flat angles P-C4'-P energy: -87.487
tors. eta vs tors. theta energy: -209.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2138.887039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.887039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.887039 (E_RNA)
where:
Base-Base interactions energy: -1448.424
where: short stacking energy: -625.936
Base-Backbone interact. energy: -3.522
local terms energy: -686.941407
where:
bonds (distance) C4'-P energy: -125.118
bonds (distance) P-C4' energy: -122.324
flat angles C4'-P-C4' energy: -149.080
flat angles P-C4'-P energy: -94.532
tors. eta vs tors. theta energy: -195.887
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1963.820373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.820373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.820373 (E_RNA)
where:
Base-Base interactions energy: -1357.803
where: short stacking energy: -575.484
Base-Backbone interact. energy: -1.200
local terms energy: -604.817407
where:
bonds (distance) C4'-P energy: -117.580
bonds (distance) P-C4' energy: -116.136
flat angles C4'-P-C4' energy: -138.624
flat angles P-C4'-P energy: -76.405
tors. eta vs tors. theta energy: -156.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1861.406060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.406060 (E_RNA)
where:
Base-Base interactions energy: -1298.231
where: short stacking energy: -527.737
Base-Backbone interact. energy: -5.983
local terms energy: -557.191849
where:
bonds (distance) C4'-P energy: -91.619
bonds (distance) P-C4' energy: -122.583
flat angles C4'-P-C4' energy: -134.792
flat angles P-C4'-P energy: -74.558
tors. eta vs tors. theta energy: -133.639
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: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1716.674292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.674292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.674292 (E_RNA)
where:
Base-Base interactions energy: -1149.351
where: short stacking energy: -490.918
Base-Backbone interact. energy: 2.947
local terms energy: -570.269985
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -111.546
flat angles C4'-P-C4' energy: -119.640
flat angles P-C4'-P energy: -91.066
tors. eta vs tors. theta energy: -140.247
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: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1567.519146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.519146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.519146 (E_RNA)
where:
Base-Base interactions energy: -1041.626
where: short stacking energy: -461.149
Base-Backbone interact. energy: 2.775
local terms energy: -528.667205
where:
bonds (distance) C4'-P energy: -114.815
bonds (distance) P-C4' energy: -121.858
flat angles C4'-P-C4' energy: -117.836
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: -116.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1506.728649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.728649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.728649 (E_RNA)
where:
Base-Base interactions energy: -971.598
where: short stacking energy: -441.318
Base-Backbone interact. energy: 1.950
local terms energy: -537.080820
where:
bonds (distance) C4'-P energy: -111.365
bonds (distance) P-C4' energy: -107.063
flat angles C4'-P-C4' energy: -127.193
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -121.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -975.624012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.624012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.624012 (E_RNA)
where:
Base-Base interactions energy: -556.578
where: short stacking energy: -275.079
Base-Backbone interact. energy: 2.918
local terms energy: -421.964857
where:
bonds (distance) C4'-P energy: -101.572
bonds (distance) P-C4' energy: -96.669
flat angles C4'-P-C4' energy: -108.964
flat angles P-C4'-P energy: -66.641
tors. eta vs tors. theta energy: -48.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -860.735663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.735663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.735663 (E_RNA)
where:
Base-Base interactions energy: -460.063
where: short stacking energy: -248.739
Base-Backbone interact. energy: 0.093
local terms energy: -400.765820
where:
bonds (distance) C4'-P energy: -114.230
bonds (distance) P-C4' energy: -103.082
flat angles C4'-P-C4' energy: -105.472
flat angles P-C4'-P energy: -61.700
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -553.993172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.993172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.993172 (E_RNA)
where:
Base-Base interactions energy: -239.178
where: short stacking energy: -177.969
Base-Backbone interact. energy: -3.088
local terms energy: -311.727278
where:
bonds (distance) C4'-P energy: -93.842
bonds (distance) P-C4' energy: -102.549
flat angles C4'-P-C4' energy: -82.582
flat angles P-C4'-P energy: -43.603
tors. eta vs tors. theta energy: 10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2168.027874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.027874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.027874 (E_RNA)
where:
Base-Base interactions energy: -1472.942
where: short stacking energy: -645.094
Base-Backbone interact. energy: -2.086
local terms energy: -692.999682
where:
bonds (distance) C4'-P energy: -126.407
bonds (distance) P-C4' energy: -115.986
flat angles C4'-P-C4' energy: -154.298
flat angles P-C4'-P energy: -100.546
tors. eta vs tors. theta energy: -195.763
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: 451
Temperature: 0.950000
Total energy: -2115.923747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.923747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.923747 (E_RNA)
where:
Base-Base interactions energy: -1440.319
where: short stacking energy: -607.457
Base-Backbone interact. energy: 0.595
local terms energy: -676.200271
where:
bonds (distance) C4'-P energy: -116.880
bonds (distance) P-C4' energy: -135.596
flat angles C4'-P-C4' energy: -142.318
flat angles P-C4'-P energy: -101.910
tors. eta vs tors. theta energy: -179.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1966.086625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.086625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.086625 (E_RNA)
where:
Base-Base interactions energy: -1341.340
where: short stacking energy: -555.846
Base-Backbone interact. energy: -4.052
local terms energy: -620.694348
where:
bonds (distance) C4'-P energy: -125.726
bonds (distance) P-C4' energy: -119.280
flat angles C4'-P-C4' energy: -126.565
flat angles P-C4'-P energy: -91.338
tors. eta vs tors. theta energy: -157.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1849.274263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.274263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.274263 (E_RNA)
where:
Base-Base interactions energy: -1272.550
where: short stacking energy: -531.961
Base-Backbone interact. energy: -0.377
local terms energy: -576.346875
where:
bonds (distance) C4'-P energy: -116.563
bonds (distance) P-C4' energy: -116.602
flat angles C4'-P-C4' energy: -129.136
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -129.468
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1694.274827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.274827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.274827 (E_RNA)
where:
Base-Base interactions energy: -1145.143
where: short stacking energy: -521.345
Base-Backbone interact. energy: 1.052
local terms energy: -550.183385
where:
bonds (distance) C4'-P energy: -98.268
bonds (distance) P-C4' energy: -111.721
flat angles C4'-P-C4' energy: -130.721
flat angles P-C4'-P energy: -72.797
tors. eta vs tors. theta energy: -136.677
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: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1563.317407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.317407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.317407 (E_RNA)
where:
Base-Base interactions energy: -1017.765
where: short stacking energy: -468.577
Base-Backbone interact. energy: -1.511
local terms energy: -544.042299
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -120.023
flat angles C4'-P-C4' energy: -114.612
flat angles P-C4'-P energy: -77.951
tors. eta vs tors. theta energy: -129.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1500.820253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.820253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.820253 (E_RNA)
where:
Base-Base interactions energy: -981.766
where: short stacking energy: -453.967
Base-Backbone interact. energy: -3.081
local terms energy: -515.972624
where:
bonds (distance) C4'-P energy: -102.677
bonds (distance) P-C4' energy: -112.452
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -66.784
tors. eta vs tors. theta energy: -110.461
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: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -996.108340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.108340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.108340 (E_RNA)
where:
Base-Base interactions energy: -548.810
where: short stacking energy: -291.028
Base-Backbone interact. energy: -3.279
local terms energy: -444.019668
where:
bonds (distance) C4'-P energy: -112.624
bonds (distance) P-C4' energy: -130.306
flat angles C4'-P-C4' energy: -107.348
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -834.740293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.740293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.740293 (E_RNA)
where:
Base-Base interactions energy: -427.388
where: short stacking energy: -234.943
Base-Backbone interact. energy: -1.026
local terms energy: -406.326058
where:
bonds (distance) C4'-P energy: -117.864
bonds (distance) P-C4' energy: -107.384
flat angles C4'-P-C4' energy: -79.607
flat angles P-C4'-P energy: -66.488
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -634.128845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.128845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.128845 (E_RNA)
where:
Base-Base interactions energy: -315.769
where: short stacking energy: -169.277
Base-Backbone interact. energy: -0.615
local terms energy: -317.745554
where:
bonds (distance) C4'-P energy: -85.607
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -93.063
flat angles P-C4'-P energy: -58.961
tors. eta vs tors. theta energy: 15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2182.731370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.731370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.731370 (E_RNA)
where:
Base-Base interactions energy: -1471.257
where: short stacking energy: -659.918
Base-Backbone interact. energy: -1.545
local terms energy: -709.929448
where:
bonds (distance) C4'-P energy: -129.322
bonds (distance) P-C4' energy: -119.528
flat angles C4'-P-C4' energy: -150.344
flat angles P-C4'-P energy: -98.848
tors. eta vs tors. theta energy: -211.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2104.096648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.096648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.096648 (E_RNA)
where:
Base-Base interactions energy: -1452.299
where: short stacking energy: -609.592
Base-Backbone interact. energy: -3.800
local terms energy: -647.997609
where:
bonds (distance) C4'-P energy: -113.429
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -143.256
flat angles P-C4'-P energy: -87.867
tors. eta vs tors. theta energy: -183.397
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1988.895666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.895666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.895666 (E_RNA)
where:
Base-Base interactions energy: -1376.317
where: short stacking energy: -538.325
Base-Backbone interact. energy: 0.631
local terms energy: -613.209610
where:
bonds (distance) C4'-P energy: -110.772
bonds (distance) P-C4' energy: -122.412
flat angles C4'-P-C4' energy: -134.186
flat angles P-C4'-P energy: -104.704
tors. eta vs tors. theta energy: -141.136
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: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1915.034435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.034435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.034435 (E_RNA)
where:
Base-Base interactions energy: -1314.882
where: short stacking energy: -554.297
Base-Backbone interact. energy: -0.341
local terms energy: -599.811788
where:
bonds (distance) C4'-P energy: -112.626
bonds (distance) P-C4' energy: -113.519
flat angles C4'-P-C4' energy: -124.255
flat angles P-C4'-P energy: -94.018
tors. eta vs tors. theta energy: -155.394
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: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1711.471922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.471922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.471922 (E_RNA)
where:
Base-Base interactions energy: -1084.534
where: short stacking energy: -497.570
Base-Backbone interact. energy: -2.091
local terms energy: -624.847375
where:
bonds (distance) C4'-P energy: -127.434
bonds (distance) P-C4' energy: -124.726
flat angles C4'-P-C4' energy: -131.937
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -144.078
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: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1542.365979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.365979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.365979 (E_RNA)
where:
Base-Base interactions energy: -994.928
where: short stacking energy: -451.679
Base-Backbone interact. energy: -0.128
local terms energy: -547.310320
where:
bonds (distance) C4'-P energy: -108.682
bonds (distance) P-C4' energy: -119.531
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -66.750
tors. eta vs tors. theta energy: -127.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1486.564754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.564754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.564754 (E_RNA)
where:
Base-Base interactions energy: -972.981
where: short stacking energy: -444.178
Base-Backbone interact. energy: -0.014
local terms energy: -513.570199
where:
bonds (distance) C4'-P energy: -109.143
bonds (distance) P-C4' energy: -108.457
flat angles C4'-P-C4' energy: -108.852
flat angles P-C4'-P energy: -73.814
tors. eta vs tors. theta energy: -113.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -998.758395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.758395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.758395 (E_RNA)
where:
Base-Base interactions energy: -571.466
where: short stacking energy: -301.075
Base-Backbone interact. energy: 0.243
local terms energy: -427.536017
where:
bonds (distance) C4'-P energy: -110.539
bonds (distance) P-C4' energy: -111.201
flat angles C4'-P-C4' energy: -95.948
flat angles P-C4'-P energy: -71.870
tors. eta vs tors. theta energy: -37.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -872.125713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.125713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.125713 (E_RNA)
where:
Base-Base interactions energy: -505.571
where: short stacking energy: -240.895
Base-Backbone interact. energy: 0.751
local terms energy: -367.305250
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -100.070
flat angles C4'-P-C4' energy: -103.695
flat angles P-C4'-P energy: -67.512
tors. eta vs tors. theta energy: -5.362
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: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -671.007614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.007614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.007614 (E_RNA)
where:
Base-Base interactions energy: -292.122
where: short stacking energy: -170.514
Base-Backbone interact. energy: -1.666
local terms energy: -377.219149
where:
bonds (distance) C4'-P energy: -121.978
bonds (distance) P-C4' energy: -100.726
flat angles C4'-P-C4' energy: -105.680
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: 5.701
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: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2179.641213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.641213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.641213 (E_RNA)
where:
Base-Base interactions energy: -1492.835
where: short stacking energy: -646.444
Base-Backbone interact. energy: -1.971
local terms energy: -684.835335
where:
bonds (distance) C4'-P energy: -117.495
bonds (distance) P-C4' energy: -123.707
flat angles C4'-P-C4' energy: -146.285
flat angles P-C4'-P energy: -99.847
tors. eta vs tors. theta energy: -197.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2089.916209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.916209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.916209 (E_RNA)
where:
Base-Base interactions energy: -1441.359
where: short stacking energy: -606.994
Base-Backbone interact. energy: -2.111
local terms energy: -646.447082
where:
bonds (distance) C4'-P energy: -117.182
bonds (distance) P-C4' energy: -112.844
flat angles C4'-P-C4' energy: -147.208
flat angles P-C4'-P energy: -101.188
tors. eta vs tors. theta energy: -168.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2006.371015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.371015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.371015 (E_RNA)
where:
Base-Base interactions energy: -1421.154
where: short stacking energy: -597.197
Base-Backbone interact. energy: -2.962
local terms energy: -582.254680
where:
bonds (distance) C4'-P energy: -107.316
bonds (distance) P-C4' energy: -105.229
flat angles C4'-P-C4' energy: -129.727
flat angles P-C4'-P energy: -85.140
tors. eta vs tors. theta energy: -154.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1898.980767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.980767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.980767 (E_RNA)
where:
Base-Base interactions energy: -1303.178
where: short stacking energy: -558.852
Base-Backbone interact. energy: -2.327
local terms energy: -593.476300
where:
bonds (distance) C4'-P energy: -114.927
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -122.990
flat angles P-C4'-P energy: -93.435
tors. eta vs tors. theta energy: -143.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1728.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.020430 (E_RNA)
where:
Base-Base interactions energy: -1125.867
where: short stacking energy: -526.210
Base-Backbone interact. energy: 1.461
local terms energy: -603.614215
where:
bonds (distance) C4'-P energy: -121.799
bonds (distance) P-C4' energy: -119.065
flat angles C4'-P-C4' energy: -134.973
flat angles P-C4'-P energy: -84.874
tors. eta vs tors. theta energy: -142.903
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: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1564.164304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.164304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.164304 (E_RNA)
where:
Base-Base interactions energy: -1028.733
where: short stacking energy: -471.732
Base-Backbone interact. energy: -1.582
local terms energy: -533.849278
where:
bonds (distance) C4'-P energy: -100.764
bonds (distance) P-C4' energy: -107.886
flat angles C4'-P-C4' energy: -116.765
flat angles P-C4'-P energy: -79.036
tors. eta vs tors. theta energy: -129.398
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1458.384811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.384811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.384811 (E_RNA)
where:
Base-Base interactions energy: -946.782
where: short stacking energy: -433.607
Base-Backbone interact. energy: -2.116
local terms energy: -509.486508
where:
bonds (distance) C4'-P energy: -99.591
bonds (distance) P-C4' energy: -114.470
flat angles C4'-P-C4' energy: -119.989
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -104.570
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: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1004.188671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.188671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.188671 (E_RNA)
where:
Base-Base interactions energy: -572.963
where: short stacking energy: -291.837
Base-Backbone interact. energy: -2.284
local terms energy: -428.941390
where:
bonds (distance) C4'-P energy: -96.567
bonds (distance) P-C4' energy: -114.969
flat angles C4'-P-C4' energy: -111.061
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -49.502
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -892.200776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.200776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.200776 (E_RNA)
where:
Base-Base interactions energy: -498.977
where: short stacking energy: -276.064
Base-Backbone interact. energy: 1.460
local terms energy: -394.684282
where:
bonds (distance) C4'-P energy: -103.170
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -101.259
flat angles P-C4'-P energy: -69.417
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -591.740319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.740319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.740319 (E_RNA)
where:
Base-Base interactions energy: -273.126
where: short stacking energy: -190.658
Base-Backbone interact. energy: 2.659
local terms energy: -321.273375
where:
bonds (distance) C4'-P energy: -94.843
bonds (distance) P-C4' energy: -116.392
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2195.744443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.744443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.744443 (E_RNA)
where:
Base-Base interactions energy: -1487.228
where: short stacking energy: -689.074
Base-Backbone interact. energy: -2.816
local terms energy: -705.700197
where:
bonds (distance) C4'-P energy: -125.221
bonds (distance) P-C4' energy: -124.697
flat angles C4'-P-C4' energy: -143.269
flat angles P-C4'-P energy: -107.256
tors. eta vs tors. theta energy: -205.258
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: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2074.337712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.337712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.337712 (E_RNA)
where:
Base-Base interactions energy: -1430.161
where: short stacking energy: -603.563
Base-Backbone interact. energy: 0.642
local terms energy: -644.818151
where:
bonds (distance) C4'-P energy: -111.206
bonds (distance) P-C4' energy: -128.672
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -92.721
tors. eta vs tors. theta energy: -180.828
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: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1973.203741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.203741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.203741 (E_RNA)
where:
Base-Base interactions energy: -1372.203
where: short stacking energy: -579.369
Base-Backbone interact. energy: -0.590
local terms energy: -600.410849
where:
bonds (distance) C4'-P energy: -115.845
bonds (distance) P-C4' energy: -124.285
flat angles C4'-P-C4' energy: -129.950
flat angles P-C4'-P energy: -80.813
tors. eta vs tors. theta energy: -149.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1889.216264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.216264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.216264 (E_RNA)
where:
Base-Base interactions energy: -1263.421
where: short stacking energy: -555.397
Base-Backbone interact. energy: -2.327
local terms energy: -623.468643
where:
bonds (distance) C4'-P energy: -130.352
bonds (distance) P-C4' energy: -119.791
flat angles C4'-P-C4' energy: -147.711
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -158.873
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: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1657.182506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.182506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.182506 (E_RNA)
where:
Base-Base interactions energy: -1123.301
where: short stacking energy: -495.675
Base-Backbone interact. energy: 0.402
local terms energy: -534.283588
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -121.139
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -140.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1565.255151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.255151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.255151 (E_RNA)
where:
Base-Base interactions energy: -1016.862
where: short stacking energy: -472.322
Base-Backbone interact. energy: -1.214
local terms energy: -547.179592
where:
bonds (distance) C4'-P energy: -107.163
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -120.176
flat angles P-C4'-P energy: -71.732
tors. eta vs tors. theta energy: -125.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1475.764879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.764879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.764879 (E_RNA)
where:
Base-Base interactions energy: -955.443
where: short stacking energy: -428.872
Base-Backbone interact. energy: 0.297
local terms energy: -520.618092
where:
bonds (distance) C4'-P energy: -114.096
bonds (distance) P-C4' energy: -105.269
flat angles C4'-P-C4' energy: -126.330
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -114.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1044.076367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.076367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.076367 (E_RNA)
where:
Base-Base interactions energy: -591.811
where: short stacking energy: -330.274
Base-Backbone interact. energy: -1.490
local terms energy: -450.775301
where:
bonds (distance) C4'-P energy: -96.017
bonds (distance) P-C4' energy: -118.488
flat angles C4'-P-C4' energy: -111.574
flat angles P-C4'-P energy: -59.571
tors. eta vs tors. theta energy: -65.125
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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -895.030251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.030251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.030251 (E_RNA)
where:
Base-Base interactions energy: -514.756
where: short stacking energy: -264.119
Base-Backbone interact. energy: -3.227
local terms energy: -377.047301
where:
bonds (distance) C4'-P energy: -103.010
bonds (distance) P-C4' energy: -90.914
flat angles C4'-P-C4' energy: -83.219
flat angles P-C4'-P energy: -66.915
tors. eta vs tors. theta energy: -32.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -553.558406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.558406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.558406 (E_RNA)
where:
Base-Base interactions energy: -225.885
where: short stacking energy: -131.453
Base-Backbone interact. energy: 1.770
local terms energy: -329.443529
where:
bonds (distance) C4'-P energy: -89.860
bonds (distance) P-C4' energy: -113.793
flat angles C4'-P-C4' energy: -70.866
flat angles P-C4'-P energy: -62.321
tors. eta vs tors. theta energy: 7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2194.234108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.234108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.234108 (E_RNA)
where:
Base-Base interactions energy: -1464.698
where: short stacking energy: -653.792
Base-Backbone interact. energy: -5.079
local terms energy: -724.457869
where:
bonds (distance) C4'-P energy: -128.808
bonds (distance) P-C4' energy: -127.168
flat angles C4'-P-C4' energy: -155.546
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -207.609
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: 455
Temperature: 0.950000
Total energy: -2073.176380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.176380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.176380 (E_RNA)
where:
Base-Base interactions energy: -1392.192
where: short stacking energy: -565.400
Base-Backbone interact. energy: -2.595
local terms energy: -678.389554
where:
bonds (distance) C4'-P energy: -136.340
bonds (distance) P-C4' energy: -121.499
flat angles C4'-P-C4' energy: -146.219
flat angles P-C4'-P energy: -97.631
tors. eta vs tors. theta energy: -176.701
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2032.147188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.147188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.147188 (E_RNA)
where:
Base-Base interactions energy: -1414.974
where: short stacking energy: -616.141
Base-Backbone interact. energy: -2.387
local terms energy: -614.785771
where:
bonds (distance) C4'-P energy: -118.470
bonds (distance) P-C4' energy: -103.670
flat angles C4'-P-C4' energy: -144.048
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -158.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1900.620822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.620822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.620822 (E_RNA)
where:
Base-Base interactions energy: -1309.725
where: short stacking energy: -557.641
Base-Backbone interact. energy: -1.848
local terms energy: -589.047965
where:
bonds (distance) C4'-P energy: -104.821
bonds (distance) P-C4' energy: -108.028
flat angles C4'-P-C4' energy: -127.349
flat angles P-C4'-P energy: -85.285
tors. eta vs tors. theta energy: -163.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1696.954846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.954846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.954846 (E_RNA)
where:
Base-Base interactions energy: -1161.150
where: short stacking energy: -509.973
Base-Backbone interact. energy: -0.264
local terms energy: -535.540787
where:
bonds (distance) C4'-P energy: -92.252
bonds (distance) P-C4' energy: -115.276
flat angles C4'-P-C4' energy: -113.312
flat angles P-C4'-P energy: -78.762
tors. eta vs tors. theta energy: -135.938
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: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1540.407852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.407852 (E_RNA)
where:
Base-Base interactions energy: -999.627
where: short stacking energy: -463.290
Base-Backbone interact. energy: -3.068
local terms energy: -537.713439
where:
bonds (distance) C4'-P energy: -103.795
bonds (distance) P-C4' energy: -120.244
flat angles C4'-P-C4' energy: -109.241
flat angles P-C4'-P energy: -76.200
tors. eta vs tors. theta energy: -128.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1437.659430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.659430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.659430 (E_RNA)
where:
Base-Base interactions energy: -965.283
where: short stacking energy: -428.825
Base-Backbone interact. energy: 1.108
local terms energy: -473.484767
where:
bonds (distance) C4'-P energy: -84.496
bonds (distance) P-C4' energy: -106.308
flat angles C4'-P-C4' energy: -122.515
flat angles P-C4'-P energy: -62.061
tors. eta vs tors. theta energy: -98.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1003.884716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.884716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.884716 (E_RNA)
where:
Base-Base interactions energy: -588.638
where: short stacking energy: -306.410
Base-Backbone interact. energy: -2.550
local terms energy: -412.696830
where:
bonds (distance) C4'-P energy: -82.861
bonds (distance) P-C4' energy: -105.771
flat angles C4'-P-C4' energy: -112.301
flat angles P-C4'-P energy: -57.276
tors. eta vs tors. theta energy: -54.488
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: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -876.160238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.160238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.160238 (E_RNA)
where:
Base-Base interactions energy: -480.278
where: short stacking energy: -263.792
Base-Backbone interact. energy: 1.602
local terms energy: -397.484134
where:
bonds (distance) C4'-P energy: -96.352
bonds (distance) P-C4' energy: -108.448
flat angles C4'-P-C4' energy: -107.210
flat angles P-C4'-P energy: -56.825
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -546.265674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.265674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.265674 (E_RNA)
where:
Base-Base interactions energy: -246.116
where: short stacking energy: -146.865
Base-Backbone interact. energy: -2.731
local terms energy: -297.418505
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -107.636
flat angles C4'-P-C4' energy: -84.022
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: 29.123
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: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2200.365561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.365561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.365561 (E_RNA)
where:
Base-Base interactions energy: -1494.945
where: short stacking energy: -659.117
Base-Backbone interact. energy: -2.724
local terms energy: -702.696182
where:
bonds (distance) C4'-P energy: -139.847
bonds (distance) P-C4' energy: -118.845
flat angles C4'-P-C4' energy: -145.542
flat angles P-C4'-P energy: -98.633
tors. eta vs tors. theta energy: -199.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2087.895272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.895272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.895272 (E_RNA)
where:
Base-Base interactions energy: -1430.435
where: short stacking energy: -604.485
Base-Backbone interact. energy: 2.460
local terms energy: -659.919979
where:
bonds (distance) C4'-P energy: -129.330
bonds (distance) P-C4' energy: -116.257
flat angles C4'-P-C4' energy: -138.751
flat angles P-C4'-P energy: -98.778
tors. eta vs tors. theta energy: -176.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1986.352103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.352103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.352103 (E_RNA)
where:
Base-Base interactions energy: -1365.858
where: short stacking energy: -565.777
Base-Backbone interact. energy: 1.274
local terms energy: -621.768005
where:
bonds (distance) C4'-P energy: -129.303
bonds (distance) P-C4' energy: -123.788
flat angles C4'-P-C4' energy: -124.381
flat angles P-C4'-P energy: -93.864
tors. eta vs tors. theta energy: -150.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1970.249019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.249019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.249019 (E_RNA)
where:
Base-Base interactions energy: -1345.889
where: short stacking energy: -597.599
Base-Backbone interact. energy: -5.752
local terms energy: -618.607805
where:
bonds (distance) C4'-P energy: -90.610
bonds (distance) P-C4' energy: -126.373
flat angles C4'-P-C4' energy: -141.558
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -168.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1725.416703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.416703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.416703 (E_RNA)
where:
Base-Base interactions energy: -1175.723
where: short stacking energy: -521.725
Base-Backbone interact. energy: -3.230
local terms energy: -546.463429
where:
bonds (distance) C4'-P energy: -100.638
bonds (distance) P-C4' energy: -106.063
flat angles C4'-P-C4' energy: -123.280
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -137.822
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: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1511.572954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.572954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.572954 (E_RNA)
where:
Base-Base interactions energy: -1031.050
where: short stacking energy: -418.872
Base-Backbone interact. energy: -2.551
local terms energy: -477.971606
where:
bonds (distance) C4'-P energy: -95.596
bonds (distance) P-C4' energy: -107.092
flat angles C4'-P-C4' energy: -94.106
flat angles P-C4'-P energy: -72.204
tors. eta vs tors. theta energy: -108.974
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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1449.512523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.512523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.512523 (E_RNA)
where:
Base-Base interactions energy: -960.327
where: short stacking energy: -413.483
Base-Backbone interact. energy: -2.142
local terms energy: -487.042812
where:
bonds (distance) C4'-P energy: -94.723
bonds (distance) P-C4' energy: -102.796
flat angles C4'-P-C4' energy: -107.094
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -108.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -973.283431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.283431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.283431 (E_RNA)
where:
Base-Base interactions energy: -536.476
where: short stacking energy: -287.352
Base-Backbone interact. energy: -1.026
local terms energy: -435.780818
where:
bonds (distance) C4'-P energy: -112.805
bonds (distance) P-C4' energy: -118.055
flat angles C4'-P-C4' energy: -120.222
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: -28.391
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: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -911.924144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.924144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.924144 (E_RNA)
where:
Base-Base interactions energy: -508.550
where: short stacking energy: -235.910
Base-Backbone interact. energy: 6.824
local terms energy: -410.198758
where:
bonds (distance) C4'-P energy: -104.000
bonds (distance) P-C4' energy: -114.555
flat angles C4'-P-C4' energy: -106.884
flat angles P-C4'-P energy: -71.586
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -659.478074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.478074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.478074 (E_RNA)
where:
Base-Base interactions energy: -304.326
where: short stacking energy: -197.980
Base-Backbone interact. energy: 2.156
local terms energy: -357.307837
where:
bonds (distance) C4'-P energy: -98.554
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -107.338
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: 4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2229.757279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.757279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.757279 (E_RNA)
where:
Base-Base interactions energy: -1524.447
where: short stacking energy: -683.608
Base-Backbone interact. energy: -2.899
local terms energy: -702.411082
where:
bonds (distance) C4'-P energy: -118.484
bonds (distance) P-C4' energy: -125.615
flat angles C4'-P-C4' energy: -145.052
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -210.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2106.078513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.078513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.078513 (E_RNA)
where:
Base-Base interactions energy: -1455.091
where: short stacking energy: -622.031
Base-Backbone interact. energy: -3.452
local terms energy: -647.535315
where:
bonds (distance) C4'-P energy: -112.486
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -137.521
flat angles P-C4'-P energy: -87.213
tors. eta vs tors. theta energy: -190.607
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1991.273738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.273738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.273738 (E_RNA)
where:
Base-Base interactions energy: -1369.456
where: short stacking energy: -571.697
Base-Backbone interact. energy: -2.672
local terms energy: -619.146441
where:
bonds (distance) C4'-P energy: -119.907
bonds (distance) P-C4' energy: -121.943
flat angles C4'-P-C4' energy: -136.899
flat angles P-C4'-P energy: -92.990
tors. eta vs tors. theta energy: -147.408
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: 457
Temperature: 1.050000
Total energy: -1925.368720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.368720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.368720 (E_RNA)
where:
Base-Base interactions energy: -1319.137
where: short stacking energy: -567.711
Base-Backbone interact. energy: 2.925
local terms energy: -609.156016
where:
bonds (distance) C4'-P energy: -111.605
bonds (distance) P-C4' energy: -123.992
flat angles C4'-P-C4' energy: -127.075
flat angles P-C4'-P energy: -93.579
tors. eta vs tors. theta energy: -152.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1692.565743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.565743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.565743 (E_RNA)
where:
Base-Base interactions energy: -1154.223
where: short stacking energy: -505.715
Base-Backbone interact. energy: -2.811
local terms energy: -535.532409
where:
bonds (distance) C4'-P energy: -96.242
bonds (distance) P-C4' energy: -114.385
flat angles C4'-P-C4' energy: -111.551
flat angles P-C4'-P energy: -82.037
tors. eta vs tors. theta energy: -131.317
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: 457
Temperature: 1.150000
Total energy: -1547.047710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.047710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.047710 (E_RNA)
where:
Base-Base interactions energy: -1009.781
where: short stacking energy: -446.525
Base-Backbone interact. energy: -0.223
local terms energy: -537.043759
where:
bonds (distance) C4'-P energy: -102.619
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -96.280
tors. eta vs tors. theta energy: -113.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1479.271323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.271323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.271323 (E_RNA)
where:
Base-Base interactions energy: -989.562
where: short stacking energy: -428.225
Base-Backbone interact. energy: -3.199
local terms energy: -486.510825
where:
bonds (distance) C4'-P energy: -106.860
bonds (distance) P-C4' energy: -93.834
flat angles C4'-P-C4' energy: -106.259
flat angles P-C4'-P energy: -60.723
tors. eta vs tors. theta energy: -118.835
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: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -974.818640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.818640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.818640 (E_RNA)
where:
Base-Base interactions energy: -566.876
where: short stacking energy: -284.053
Base-Backbone interact. energy: -0.822
local terms energy: -407.120821
where:
bonds (distance) C4'-P energy: -107.906
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -108.047
flat angles P-C4'-P energy: -60.230
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -906.068561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.068561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.068561 (E_RNA)
where:
Base-Base interactions energy: -501.829
where: short stacking energy: -257.075
Base-Backbone interact. energy: 0.845
local terms energy: -405.085308
where:
bonds (distance) C4'-P energy: -115.858
bonds (distance) P-C4' energy: -105.554
flat angles C4'-P-C4' energy: -91.777
flat angles P-C4'-P energy: -61.004
tors. eta vs tors. theta energy: -30.892
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: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -566.584592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.584592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.584592 (E_RNA)
where:
Base-Base interactions energy: -213.697
where: short stacking energy: -143.142
Base-Backbone interact. energy: -2.178
local terms energy: -350.709806
where:
bonds (distance) C4'-P energy: -102.585
bonds (distance) P-C4' energy: -118.836
flat angles C4'-P-C4' energy: -84.894
flat angles P-C4'-P energy: -58.430
tors. eta vs tors. theta energy: 14.036
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: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2195.682996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.682996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.682996 (E_RNA)
where:
Base-Base interactions energy: -1516.979
where: short stacking energy: -663.592
Base-Backbone interact. energy: -2.711
local terms energy: -675.993501
where:
bonds (distance) C4'-P energy: -107.634
bonds (distance) P-C4' energy: -131.916
flat angles C4'-P-C4' energy: -145.026
flat angles P-C4'-P energy: -89.093
tors. eta vs tors. theta energy: -202.324
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: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2154.574797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.574797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.574797 (E_RNA)
where:
Base-Base interactions energy: -1469.313
where: short stacking energy: -620.517
Base-Backbone interact. energy: -3.206
local terms energy: -682.056674
where:
bonds (distance) C4'-P energy: -119.860
bonds (distance) P-C4' energy: -144.929
flat angles C4'-P-C4' energy: -137.112
flat angles P-C4'-P energy: -101.594
tors. eta vs tors. theta energy: -178.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2024.332719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.332719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.332719 (E_RNA)
where:
Base-Base interactions energy: -1404.956
where: short stacking energy: -596.966
Base-Backbone interact. energy: -3.365
local terms energy: -616.011859
where:
bonds (distance) C4'-P energy: -124.219
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -134.528
flat angles P-C4'-P energy: -76.228
tors. eta vs tors. theta energy: -170.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1908.282237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.282237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.282237 (E_RNA)
where:
Base-Base interactions energy: -1299.485
where: short stacking energy: -544.488
Base-Backbone interact. energy: -4.901
local terms energy: -603.896225
where:
bonds (distance) C4'-P energy: -118.499
bonds (distance) P-C4' energy: -121.434
flat angles C4'-P-C4' energy: -127.279
flat angles P-C4'-P energy: -86.468
tors. eta vs tors. theta energy: -150.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1662.212486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.212486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.212486 (E_RNA)
where:
Base-Base interactions energy: -1090.498
where: short stacking energy: -471.997
Base-Backbone interact. energy: -0.416
local terms energy: -571.298533
where:
bonds (distance) C4'-P energy: -104.514
bonds (distance) P-C4' energy: -118.089
flat angles C4'-P-C4' energy: -133.535
flat angles P-C4'-P energy: -79.605
tors. eta vs tors. theta energy: -135.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1551.681047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.681047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.681047 (E_RNA)
where:
Base-Base interactions energy: -1015.202
where: short stacking energy: -434.196
Base-Backbone interact. energy: -3.203
local terms energy: -533.275968
where:
bonds (distance) C4'-P energy: -99.490
bonds (distance) P-C4' energy: -114.913
flat angles C4'-P-C4' energy: -135.489
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -115.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1472.830558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.830558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.830558 (E_RNA)
where:
Base-Base interactions energy: -928.235
where: short stacking energy: -419.174
Base-Backbone interact. energy: -0.926
local terms energy: -543.669682
where:
bonds (distance) C4'-P energy: -108.474
bonds (distance) P-C4' energy: -120.146
flat angles C4'-P-C4' energy: -110.064
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -121.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -999.859151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.859151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.859151 (E_RNA)
where:
Base-Base interactions energy: -587.345
where: short stacking energy: -310.412
Base-Backbone interact. energy: -0.264
local terms energy: -412.250908
where:
bonds (distance) C4'-P energy: -99.521
bonds (distance) P-C4' energy: -98.806
flat angles C4'-P-C4' energy: -124.294
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -35.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -895.315461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.315461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.315461 (E_RNA)
where:
Base-Base interactions energy: -510.234
where: short stacking energy: -288.210
Base-Backbone interact. energy: -0.446
local terms energy: -384.635810
where:
bonds (distance) C4'-P energy: -100.274
bonds (distance) P-C4' energy: -98.755
flat angles C4'-P-C4' energy: -97.822
flat angles P-C4'-P energy: -62.278
tors. eta vs tors. theta energy: -25.507
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: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -553.135074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.135074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.135074 (E_RNA)
where:
Base-Base interactions energy: -224.707
where: short stacking energy: -177.661
Base-Backbone interact. energy: 8.001
local terms energy: -336.429483
where:
bonds (distance) C4'-P energy: -103.901
bonds (distance) P-C4' energy: -102.697
flat angles C4'-P-C4' energy: -97.106
flat angles P-C4'-P energy: -53.451
tors. eta vs tors. theta energy: 20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2197.369300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.369300 (E_RNA)
where:
Base-Base interactions energy: -1493.401
where: short stacking energy: -678.795
Base-Backbone interact. energy: -0.606
local terms energy: -703.362189
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -121.465
flat angles C4'-P-C4' energy: -142.519
flat angles P-C4'-P energy: -97.364
tors. eta vs tors. theta energy: -209.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2132.933087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.933087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.933087 (E_RNA)
where:
Base-Base interactions energy: -1477.704
where: short stacking energy: -633.164
Base-Backbone interact. energy: -0.733
local terms energy: -654.496251
where:
bonds (distance) C4'-P energy: -111.049
bonds (distance) P-C4' energy: -125.318
flat angles C4'-P-C4' energy: -144.607
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -192.163
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: 459
Temperature: 1.000000
Total energy: -2024.588691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.588691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.588691 (E_RNA)
where:
Base-Base interactions energy: -1358.442
where: short stacking energy: -588.451
Base-Backbone interact. energy: 2.600
local terms energy: -668.746302
where:
bonds (distance) C4'-P energy: -136.510
bonds (distance) P-C4' energy: -118.181
flat angles C4'-P-C4' energy: -147.894
flat angles P-C4'-P energy: -94.151
tors. eta vs tors. theta energy: -172.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1939.528011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.528011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.528011 (E_RNA)
where:
Base-Base interactions energy: -1335.052
where: short stacking energy: -554.561
Base-Backbone interact. energy: -0.537
local terms energy: -603.939012
where:
bonds (distance) C4'-P energy: -126.247
bonds (distance) P-C4' energy: -108.265
flat angles C4'-P-C4' energy: -133.358
flat angles P-C4'-P energy: -84.279
tors. eta vs tors. theta energy: -151.791
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: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1764.017456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.017456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.017456 (E_RNA)
where:
Base-Base interactions energy: -1214.290
where: short stacking energy: -534.317
Base-Backbone interact. energy: -2.897
local terms energy: -546.829947
where:
bonds (distance) C4'-P energy: -94.666
bonds (distance) P-C4' energy: -127.026
flat angles C4'-P-C4' energy: -114.123
flat angles P-C4'-P energy: -68.993
tors. eta vs tors. theta energy: -142.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1500.313195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.313195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.313195 (E_RNA)
where:
Base-Base interactions energy: -983.981
where: short stacking energy: -429.678
Base-Backbone interact. energy: -0.054
local terms energy: -516.278958
where:
bonds (distance) C4'-P energy: -117.496
bonds (distance) P-C4' energy: -124.540
flat angles C4'-P-C4' energy: -113.220
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -113.677
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1428.871183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.871183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.871183 (E_RNA)
where:
Base-Base interactions energy: -929.213
where: short stacking energy: -438.871
Base-Backbone interact. energy: -0.105
local terms energy: -499.552599
where:
bonds (distance) C4'-P energy: -102.642
bonds (distance) P-C4' energy: -118.792
flat angles C4'-P-C4' energy: -99.304
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -118.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -948.540494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.540494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.540494 (E_RNA)
where:
Base-Base interactions energy: -534.011
where: short stacking energy: -292.026
Base-Backbone interact. energy: 4.869
local terms energy: -419.397930
where:
bonds (distance) C4'-P energy: -109.875
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -93.212
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -44.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -926.344089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.344089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.344089 (E_RNA)
where:
Base-Base interactions energy: -527.917
where: short stacking energy: -253.122
Base-Backbone interact. energy: -0.134
local terms energy: -398.292561
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -119.522
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -63.905
tors. eta vs tors. theta energy: -31.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -542.231667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.231667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.231667 (E_RNA)
where:
Base-Base interactions energy: -229.564
where: short stacking energy: -137.553
Base-Backbone interact. energy: 2.132
local terms energy: -314.799745
where:
bonds (distance) C4'-P energy: -89.708
bonds (distance) P-C4' energy: -104.612
flat angles C4'-P-C4' energy: -85.461
flat angles P-C4'-P energy: -60.252
tors. eta vs tors. theta energy: 25.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2203.664500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.664500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.664500 (E_RNA)
where:
Base-Base interactions energy: -1481.892
where: short stacking energy: -649.232
Base-Backbone interact. energy: -2.370
local terms energy: -719.403375
where:
bonds (distance) C4'-P energy: -133.969
bonds (distance) P-C4' energy: -126.894
flat angles C4'-P-C4' energy: -150.029
flat angles P-C4'-P energy: -106.380
tors. eta vs tors. theta energy: -202.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2169.568085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.568085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.568085 (E_RNA)
where:
Base-Base interactions energy: -1493.711
where: short stacking energy: -641.810
Base-Backbone interact. energy: -2.675
local terms energy: -673.182537
where:
bonds (distance) C4'-P energy: -128.362
bonds (distance) P-C4' energy: -127.486
flat angles C4'-P-C4' energy: -144.631
flat angles P-C4'-P energy: -82.660
tors. eta vs tors. theta energy: -190.044
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2031.657788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.657788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.657788 (E_RNA)
where:
Base-Base interactions energy: -1385.756
where: short stacking energy: -608.687
Base-Backbone interact. energy: -3.954
local terms energy: -641.947521
where:
bonds (distance) C4'-P energy: -111.192
bonds (distance) P-C4' energy: -113.934
flat angles C4'-P-C4' energy: -143.878
flat angles P-C4'-P energy: -97.014
tors. eta vs tors. theta energy: -175.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1943.880388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.880388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.880388 (E_RNA)
where:
Base-Base interactions energy: -1338.204
where: short stacking energy: -552.187
Base-Backbone interact. energy: 0.645
local terms energy: -606.321420
where:
bonds (distance) C4'-P energy: -111.956
bonds (distance) P-C4' energy: -115.389
flat angles C4'-P-C4' energy: -132.159
flat angles P-C4'-P energy: -87.353
tors. eta vs tors. theta energy: -159.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1748.636241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.636241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.636241 (E_RNA)
where:
Base-Base interactions energy: -1171.390
where: short stacking energy: -527.141
Base-Backbone interact. energy: 0.565
local terms energy: -577.811320
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -102.192
flat angles C4'-P-C4' energy: -138.407
flat angles P-C4'-P energy: -73.660
tors. eta vs tors. theta energy: -153.687
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: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1536.652296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.652296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.652296 (E_RNA)
where:
Base-Base interactions energy: -1000.098
where: short stacking energy: -462.853
Base-Backbone interact. energy: -2.183
local terms energy: -534.371365
where:
bonds (distance) C4'-P energy: -100.592
bonds (distance) P-C4' energy: -123.695
flat angles C4'-P-C4' energy: -117.950
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: -126.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1447.771384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.771384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.771384 (E_RNA)
where:
Base-Base interactions energy: -943.749
where: short stacking energy: -429.284
Base-Backbone interact. energy: 0.182
local terms energy: -504.204554
where:
bonds (distance) C4'-P energy: -98.222
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -103.596
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -102.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -957.255281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.255281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.255281 (E_RNA)
where:
Base-Base interactions energy: -557.665
where: short stacking energy: -266.681
Base-Backbone interact. energy: 1.649
local terms energy: -401.239341
where:
bonds (distance) C4'-P energy: -102.699
bonds (distance) P-C4' energy: -106.625
flat angles C4'-P-C4' energy: -108.296
flat angles P-C4'-P energy: -61.592
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -988.184215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.184215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.184215 (E_RNA)
where:
Base-Base interactions energy: -583.066
where: short stacking energy: -286.642
Base-Backbone interact. energy: -0.116
local terms energy: -405.002339
where:
bonds (distance) C4'-P energy: -108.969
bonds (distance) P-C4' energy: -100.292
flat angles C4'-P-C4' energy: -102.675
flat angles P-C4'-P energy: -50.875
tors. eta vs tors. theta energy: -42.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -499.945875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.945875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.945875 (E_RNA)
where:
Base-Base interactions energy: -164.979
where: short stacking energy: -141.072
Base-Backbone interact. energy: 2.736
local terms energy: -337.703186
where:
bonds (distance) C4'-P energy: -105.894
bonds (distance) P-C4' energy: -98.330
flat angles C4'-P-C4' energy: -85.153
flat angles P-C4'-P energy: -75.648
tors. eta vs tors. theta energy: 27.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2227.984813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.984813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.984813 (E_RNA)
where:
Base-Base interactions energy: -1508.363
where: short stacking energy: -689.517
Base-Backbone interact. energy: -3.532
local terms energy: -716.089161
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -154.618
flat angles P-C4'-P energy: -96.300
tors. eta vs tors. theta energy: -207.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2159.290586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.290586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.290586 (E_RNA)
where:
Base-Base interactions energy: -1516.506
where: short stacking energy: -652.022
Base-Backbone interact. energy: -3.932
local terms energy: -638.852793
where:
bonds (distance) C4'-P energy: -117.002
bonds (distance) P-C4' energy: -103.299
flat angles C4'-P-C4' energy: -132.243
flat angles P-C4'-P energy: -93.690
tors. eta vs tors. theta energy: -192.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1959.299293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.299293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.299293 (E_RNA)
where:
Base-Base interactions energy: -1352.007
where: short stacking energy: -556.754
Base-Backbone interact. energy: 2.004
local terms energy: -609.296420
where:
bonds (distance) C4'-P energy: -112.429
bonds (distance) P-C4' energy: -123.471
flat angles C4'-P-C4' energy: -137.927
flat angles P-C4'-P energy: -81.541
tors. eta vs tors. theta energy: -153.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1936.203284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.203284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.203284 (E_RNA)
where:
Base-Base interactions energy: -1341.410
where: short stacking energy: -548.615
Base-Backbone interact. energy: -1.844
local terms energy: -592.949042
where:
bonds (distance) C4'-P energy: -116.096
bonds (distance) P-C4' energy: -114.770
flat angles C4'-P-C4' energy: -138.852
flat angles P-C4'-P energy: -75.711
tors. eta vs tors. theta energy: -147.520
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1784.898050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.898050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.898050 (E_RNA)
where:
Base-Base interactions energy: -1193.841
where: short stacking energy: -525.663
Base-Backbone interact. energy: -0.076
local terms energy: -590.980667
where:
bonds (distance) C4'-P energy: -116.145
bonds (distance) P-C4' energy: -125.874
flat angles C4'-P-C4' energy: -137.200
flat angles P-C4'-P energy: -70.582
tors. eta vs tors. theta energy: -141.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1488.506100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.506100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.506100 (E_RNA)
where:
Base-Base interactions energy: -934.198
where: short stacking energy: -418.734
Base-Backbone interact. energy: -0.685
local terms energy: -553.623434
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -120.026
flat angles C4'-P-C4' energy: -124.455
flat angles P-C4'-P energy: -80.820
tors. eta vs tors. theta energy: -117.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1454.063587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.063587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.063587 (E_RNA)
where:
Base-Base interactions energy: -940.139
where: short stacking energy: -439.496
Base-Backbone interact. energy: -1.690
local terms energy: -512.234822
where:
bonds (distance) C4'-P energy: -110.309
bonds (distance) P-C4' energy: -105.862
flat angles C4'-P-C4' energy: -124.491
flat angles P-C4'-P energy: -73.714
tors. eta vs tors. theta energy: -97.858
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: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -974.127834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.127834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.127834 (E_RNA)
where:
Base-Base interactions energy: -573.303
where: short stacking energy: -286.263
Base-Backbone interact. energy: 1.513
local terms energy: -402.337830
where:
bonds (distance) C4'-P energy: -97.979
bonds (distance) P-C4' energy: -108.469
flat angles C4'-P-C4' energy: -109.043
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -989.129267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.129267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.129267 (E_RNA)
where:
Base-Base interactions energy: -593.923
where: short stacking energy: -287.437
Base-Backbone interact. energy: -2.415
local terms energy: -392.791354
where:
bonds (distance) C4'-P energy: -91.718
bonds (distance) P-C4' energy: -97.274
flat angles C4'-P-C4' energy: -83.292
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -67.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -496.275027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.275027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.275027 (E_RNA)
where:
Base-Base interactions energy: -176.182
where: short stacking energy: -134.275
Base-Backbone interact. energy: -2.094
local terms energy: -317.998972
where:
bonds (distance) C4'-P energy: -105.788
bonds (distance) P-C4' energy: -113.336
flat angles C4'-P-C4' energy: -103.444
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: 22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2186.331600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.331600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.331600 (E_RNA)
where:
Base-Base interactions energy: -1487.969
where: short stacking energy: -643.975
Base-Backbone interact. energy: -3.083
local terms energy: -695.279309
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -120.096
flat angles C4'-P-C4' energy: -156.241
flat angles P-C4'-P energy: -99.499
tors. eta vs tors. theta energy: -198.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2158.888334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.888334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.888334 (E_RNA)
where:
Base-Base interactions energy: -1451.689
where: short stacking energy: -677.936
Base-Backbone interact. energy: -1.040
local terms energy: -706.159598
where:
bonds (distance) C4'-P energy: -135.237
bonds (distance) P-C4' energy: -114.666
flat angles C4'-P-C4' energy: -150.050
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -203.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2025.339069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.339069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.339069 (E_RNA)
where:
Base-Base interactions energy: -1404.301
where: short stacking energy: -580.255
Base-Backbone interact. energy: 5.672
local terms energy: -626.710115
where:
bonds (distance) C4'-P energy: -123.615
bonds (distance) P-C4' energy: -112.633
flat angles C4'-P-C4' energy: -130.800
flat angles P-C4'-P energy: -93.838
tors. eta vs tors. theta energy: -165.825
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: 462
Temperature: 1.050000
Total energy: -1987.210817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.210817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.210817 (E_RNA)
where:
Base-Base interactions energy: -1362.529
where: short stacking energy: -555.619
Base-Backbone interact. energy: -5.471
local terms energy: -619.210834
where:
bonds (distance) C4'-P energy: -113.277
bonds (distance) P-C4' energy: -115.455
flat angles C4'-P-C4' energy: -136.775
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -157.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1789.783336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.783336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.783336 (E_RNA)
where:
Base-Base interactions energy: -1186.551
where: short stacking energy: -545.417
Base-Backbone interact. energy: -0.658
local terms energy: -602.574154
where:
bonds (distance) C4'-P energy: -112.362
bonds (distance) P-C4' energy: -118.131
flat angles C4'-P-C4' energy: -138.498
flat angles P-C4'-P energy: -80.755
tors. eta vs tors. theta energy: -152.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1464.987098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.987098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.987098 (E_RNA)
where:
Base-Base interactions energy: -949.905
where: short stacking energy: -463.715
Base-Backbone interact. energy: -3.776
local terms energy: -511.306389
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -112.729
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -65.422
tors. eta vs tors. theta energy: -112.032
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1434.812266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.812266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.812266 (E_RNA)
where:
Base-Base interactions energy: -934.960
where: short stacking energy: -423.517
Base-Backbone interact. energy: 4.800
local terms energy: -504.651903
where:
bonds (distance) C4'-P energy: -112.222
bonds (distance) P-C4' energy: -112.581
flat angles C4'-P-C4' energy: -109.076
flat angles P-C4'-P energy: -73.722
tors. eta vs tors. theta energy: -97.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1005.954809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.954809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.954809 (E_RNA)
where:
Base-Base interactions energy: -598.539
where: short stacking energy: -307.775
Base-Backbone interact. energy: -0.227
local terms energy: -407.188827
where:
bonds (distance) C4'-P energy: -96.370
bonds (distance) P-C4' energy: -108.756
flat angles C4'-P-C4' energy: -110.253
flat angles P-C4'-P energy: -57.735
tors. eta vs tors. theta energy: -34.075
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: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -968.186209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.186209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.186209 (E_RNA)
where:
Base-Base interactions energy: -547.512
where: short stacking energy: -289.082
Base-Backbone interact. energy: 0.909
local terms energy: -421.583375
where:
bonds (distance) C4'-P energy: -100.864
bonds (distance) P-C4' energy: -109.903
flat angles C4'-P-C4' energy: -107.578
flat angles P-C4'-P energy: -61.550
tors. eta vs tors. theta energy: -41.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -490.762335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.762335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.762335 (E_RNA)
where:
Base-Base interactions energy: -161.466
where: short stacking energy: -129.725
Base-Backbone interact. energy: 3.098
local terms energy: -332.394455
where:
bonds (distance) C4'-P energy: -96.923
bonds (distance) P-C4' energy: -120.033
flat angles C4'-P-C4' energy: -96.372
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: 26.229
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2208.488160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.488160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.488160 (E_RNA)
where:
Base-Base interactions energy: -1497.599
where: short stacking energy: -658.091
Base-Backbone interact. energy: -2.919
local terms energy: -707.970827
where:
bonds (distance) C4'-P energy: -135.864
bonds (distance) P-C4' energy: -123.327
flat angles C4'-P-C4' energy: -142.644
flat angles P-C4'-P energy: -106.634
tors. eta vs tors. theta energy: -199.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2151.437342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.437342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.437342 (E_RNA)
where:
Base-Base interactions energy: -1487.062
where: short stacking energy: -662.860
Base-Backbone interact. energy: -2.178
local terms energy: -662.197342
where:
bonds (distance) C4'-P energy: -125.087
bonds (distance) P-C4' energy: -112.087
flat angles C4'-P-C4' energy: -133.498
flat angles P-C4'-P energy: -79.879
tors. eta vs tors. theta energy: -211.646
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2030.579441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.579441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.579441 (E_RNA)
where:
Base-Base interactions energy: -1424.132
where: short stacking energy: -591.207
Base-Backbone interact. energy: 1.377
local terms energy: -607.823821
where:
bonds (distance) C4'-P energy: -110.282
bonds (distance) P-C4' energy: -119.176
flat angles C4'-P-C4' energy: -130.801
flat angles P-C4'-P energy: -83.353
tors. eta vs tors. theta energy: -164.211
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: 463
Temperature: 1.050000
Total energy: -1970.724238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.724238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.724238 (E_RNA)
where:
Base-Base interactions energy: -1362.412
where: short stacking energy: -560.724
Base-Backbone interact. energy: -0.339
local terms energy: -607.972961
where:
bonds (distance) C4'-P energy: -123.624
bonds (distance) P-C4' energy: -118.699
flat angles C4'-P-C4' energy: -129.398
flat angles P-C4'-P energy: -74.528
tors. eta vs tors. theta energy: -161.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1763.240550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.240550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.240550 (E_RNA)
where:
Base-Base interactions energy: -1201.259
where: short stacking energy: -532.420
Base-Backbone interact. energy: -1.636
local terms energy: -560.345844
where:
bonds (distance) C4'-P energy: -99.983
bonds (distance) P-C4' energy: -110.019
flat angles C4'-P-C4' energy: -122.109
flat angles P-C4'-P energy: -72.565
tors. eta vs tors. theta energy: -155.669
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: 6, replica: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1471.008542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.008542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.008542 (E_RNA)
where:
Base-Base interactions energy: -965.075
where: short stacking energy: -419.725
Base-Backbone interact. energy: -0.290
local terms energy: -505.642787
where:
bonds (distance) C4'-P energy: -90.211
bonds (distance) P-C4' energy: -102.958
flat angles C4'-P-C4' energy: -118.079
flat angles P-C4'-P energy: -84.053
tors. eta vs tors. theta energy: -110.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1360.245470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.245470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.245470 (E_RNA)
where:
Base-Base interactions energy: -893.779
where: short stacking energy: -386.619
Base-Backbone interact. energy: -0.837
local terms energy: -465.629152
where:
bonds (distance) C4'-P energy: -118.331
bonds (distance) P-C4' energy: -95.208
flat angles C4'-P-C4' energy: -104.333
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -76.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1010.195649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.195649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.195649 (E_RNA)
where:
Base-Base interactions energy: -604.925
where: short stacking energy: -298.769
Base-Backbone interact. energy: -0.411
local terms energy: -404.859157
where:
bonds (distance) C4'-P energy: -110.030
bonds (distance) P-C4' energy: -108.996
flat angles C4'-P-C4' energy: -105.825
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -36.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -968.939501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.939501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.939501 (E_RNA)
where:
Base-Base interactions energy: -587.118
where: short stacking energy: -306.638
Base-Backbone interact. energy: -0.581
local terms energy: -381.240831
where:
bonds (distance) C4'-P energy: -100.347
bonds (distance) P-C4' energy: -101.556
flat angles C4'-P-C4' energy: -81.018
flat angles P-C4'-P energy: -55.871
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -483.967601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.967601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.967601 (E_RNA)
where:
Base-Base interactions energy: -160.754
where: short stacking energy: -102.581
Base-Backbone interact. energy: 12.793
local terms energy: -336.006852
where:
bonds (distance) C4'-P energy: -117.156
bonds (distance) P-C4' energy: -105.850
flat angles C4'-P-C4' energy: -85.564
flat angles P-C4'-P energy: -46.107
tors. eta vs tors. theta energy: 18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2172.647057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.647057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.647057 (E_RNA)
where:
Base-Base interactions energy: -1506.304
where: short stacking energy: -628.509
Base-Backbone interact. energy: -0.997
local terms energy: -665.345423
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -125.571
flat angles C4'-P-C4' energy: -142.161
flat angles P-C4'-P energy: -104.661
tors. eta vs tors. theta energy: -179.444
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: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2143.323781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.323781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.323781 (E_RNA)
where:
Base-Base interactions energy: -1436.249
where: short stacking energy: -653.019
Base-Backbone interact. energy: -0.467
local terms energy: -706.607884
where:
bonds (distance) C4'-P energy: -137.277
bonds (distance) P-C4' energy: -120.856
flat angles C4'-P-C4' energy: -144.153
flat angles P-C4'-P energy: -90.138
tors. eta vs tors. theta energy: -214.184
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2010.327759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.327759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.327759 (E_RNA)
where:
Base-Base interactions energy: -1387.817
where: short stacking energy: -582.386
Base-Backbone interact. energy: 0.796
local terms energy: -623.306687
where:
bonds (distance) C4'-P energy: -114.037
bonds (distance) P-C4' energy: -119.718
flat angles C4'-P-C4' energy: -140.618
flat angles P-C4'-P energy: -87.352
tors. eta vs tors. theta energy: -161.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1964.772849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.772849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.772849 (E_RNA)
where:
Base-Base interactions energy: -1369.057
where: short stacking energy: -570.557
Base-Backbone interact. energy: -2.041
local terms energy: -593.675046
where:
bonds (distance) C4'-P energy: -110.367
bonds (distance) P-C4' energy: -119.778
flat angles C4'-P-C4' energy: -116.246
flat angles P-C4'-P energy: -95.729
tors. eta vs tors. theta energy: -151.554
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: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1820.340709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.340709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.340709 (E_RNA)
where:
Base-Base interactions energy: -1224.938
where: short stacking energy: -540.946
Base-Backbone interact. energy: -4.118
local terms energy: -591.284748
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -108.244
flat angles C4'-P-C4' energy: -133.622
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -165.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1461.203742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.203742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.203742 (E_RNA)
where:
Base-Base interactions energy: -941.078
where: short stacking energy: -415.362
Base-Backbone interact. energy: -1.118
local terms energy: -519.007973
where:
bonds (distance) C4'-P energy: -107.184
bonds (distance) P-C4' energy: -122.530
flat angles C4'-P-C4' energy: -112.746
flat angles P-C4'-P energy: -63.676
tors. eta vs tors. theta energy: -112.872
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: 464
Temperature: 1.200000
Total energy: -1417.975523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.975523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.975523 (E_RNA)
where:
Base-Base interactions energy: -936.056
where: short stacking energy: -437.272
Base-Backbone interact. energy: 1.099
local terms energy: -483.018255
where:
bonds (distance) C4'-P energy: -103.031
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -107.747
flat angles P-C4'-P energy: -75.396
tors. eta vs tors. theta energy: -95.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1070.999380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.999380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.999380 (E_RNA)
where:
Base-Base interactions energy: -654.937
where: short stacking energy: -298.968
Base-Backbone interact. energy: 1.906
local terms energy: -417.968139
where:
bonds (distance) C4'-P energy: -88.462
bonds (distance) P-C4' energy: -107.518
flat angles C4'-P-C4' energy: -103.366
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -54.521
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: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -888.158257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.158257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.158257 (E_RNA)
where:
Base-Base interactions energy: -521.154
where: short stacking energy: -262.379
Base-Backbone interact. energy: -1.406
local terms energy: -365.598499
where:
bonds (distance) C4'-P energy: -83.466
bonds (distance) P-C4' energy: -103.086
flat angles C4'-P-C4' energy: -107.351
flat angles P-C4'-P energy: -56.650
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: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -478.755420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.755420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.755420 (E_RNA)
where:
Base-Base interactions energy: -172.447
where: short stacking energy: -131.616
Base-Backbone interact. energy: 2.034
local terms energy: -308.341686
where:
bonds (distance) C4'-P energy: -82.963
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -85.448
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: 27.267
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2193.357751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.357751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.357751 (E_RNA)
where:
Base-Base interactions energy: -1510.710
where: short stacking energy: -626.421
Base-Backbone interact. energy: -4.226
local terms energy: -678.421571
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -126.333
flat angles C4'-P-C4' energy: -153.421
flat angles P-C4'-P energy: -98.547
tors. eta vs tors. theta energy: -176.763
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: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2168.794683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.794683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.794683 (E_RNA)
where:
Base-Base interactions energy: -1465.063
where: short stacking energy: -668.314
Base-Backbone interact. energy: -1.617
local terms energy: -702.115018
where:
bonds (distance) C4'-P energy: -133.428
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -137.627
flat angles P-C4'-P energy: -97.490
tors. eta vs tors. theta energy: -212.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2007.609106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.609106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.609106 (E_RNA)
where:
Base-Base interactions energy: -1385.070
where: short stacking energy: -577.722
Base-Backbone interact. energy: 4.168
local terms energy: -626.706603
where:
bonds (distance) C4'-P energy: -124.233
bonds (distance) P-C4' energy: -124.826
flat angles C4'-P-C4' energy: -125.024
flat angles P-C4'-P energy: -86.860
tors. eta vs tors. theta energy: -165.764
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: 465
Temperature: 1.050000
Total energy: -1935.284290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.284290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.284290 (E_RNA)
where:
Base-Base interactions energy: -1317.891
where: short stacking energy: -543.693
Base-Backbone interact. energy: 1.584
local terms energy: -618.977492
where:
bonds (distance) C4'-P energy: -111.618
bonds (distance) P-C4' energy: -127.887
flat angles C4'-P-C4' energy: -139.626
flat angles P-C4'-P energy: -82.995
tors. eta vs tors. theta energy: -156.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1817.387785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.387785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.387785 (E_RNA)
where:
Base-Base interactions energy: -1238.508
where: short stacking energy: -551.351
Base-Backbone interact. energy: -1.494
local terms energy: -577.384991
where:
bonds (distance) C4'-P energy: -112.783
bonds (distance) P-C4' energy: -112.884
flat angles C4'-P-C4' energy: -118.490
flat angles P-C4'-P energy: -77.768
tors. eta vs tors. theta energy: -155.460
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: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1429.312139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.312139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.312139 (E_RNA)
where:
Base-Base interactions energy: -901.723
where: short stacking energy: -428.215
Base-Backbone interact. energy: -0.602
local terms energy: -526.987511
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -118.339
flat angles C4'-P-C4' energy: -120.396
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -104.242
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: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1424.065269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.065269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.065269 (E_RNA)
where:
Base-Base interactions energy: -948.816
where: short stacking energy: -428.521
Base-Backbone interact. energy: -0.656
local terms energy: -474.593731
where:
bonds (distance) C4'-P energy: -92.437
bonds (distance) P-C4' energy: -99.709
flat angles C4'-P-C4' energy: -108.147
flat angles P-C4'-P energy: -70.691
tors. eta vs tors. theta energy: -103.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1064.832476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.832476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.832476 (E_RNA)
where:
Base-Base interactions energy: -637.890
where: short stacking energy: -300.794
Base-Backbone interact. energy: 4.138
local terms energy: -431.080465
where:
bonds (distance) C4'-P energy: -115.938
bonds (distance) P-C4' energy: -93.406
flat angles C4'-P-C4' energy: -112.328
flat angles P-C4'-P energy: -70.475
tors. eta vs tors. theta energy: -38.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -927.981431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.981431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.981431 (E_RNA)
where:
Base-Base interactions energy: -512.443
where: short stacking energy: -269.834
Base-Backbone interact. energy: -1.014
local terms energy: -414.524731
where:
bonds (distance) C4'-P energy: -115.406
bonds (distance) P-C4' energy: -110.970
flat angles C4'-P-C4' energy: -82.886
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -43.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -497.179986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.179986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.179986 (E_RNA)
where:
Base-Base interactions energy: -193.220
where: short stacking energy: -154.923
Base-Backbone interact. energy: 3.397
local terms energy: -307.356598
where:
bonds (distance) C4'-P energy: -71.859
bonds (distance) P-C4' energy: -106.876
flat angles C4'-P-C4' energy: -91.892
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: 8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2166.672048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.672048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.672048 (E_RNA)
where:
Base-Base interactions energy: -1461.356
where: short stacking energy: -645.254
Base-Backbone interact. energy: -3.091
local terms energy: -702.225178
where:
bonds (distance) C4'-P energy: -128.885
bonds (distance) P-C4' energy: -140.330
flat angles C4'-P-C4' energy: -142.943
flat angles P-C4'-P energy: -98.609
tors. eta vs tors. theta energy: -191.458
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: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2151.359005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.359005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.359005 (E_RNA)
where:
Base-Base interactions energy: -1483.979
where: short stacking energy: -658.562
Base-Backbone interact. energy: -5.453
local terms energy: -661.926694
where:
bonds (distance) C4'-P energy: -118.384
bonds (distance) P-C4' energy: -124.574
flat angles C4'-P-C4' energy: -127.368
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -201.505
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: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2000.305013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.305013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.305013 (E_RNA)
where:
Base-Base interactions energy: -1360.636
where: short stacking energy: -564.163
Base-Backbone interact. energy: 0.660
local terms energy: -640.328859
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -120.539
flat angles C4'-P-C4' energy: -143.004
flat angles P-C4'-P energy: -98.351
tors. eta vs tors. theta energy: -152.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1901.095769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.095769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.095769 (E_RNA)
where:
Base-Base interactions energy: -1306.761
where: short stacking energy: -536.693
Base-Backbone interact. energy: -6.009
local terms energy: -588.325854
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -117.109
flat angles C4'-P-C4' energy: -131.274
flat angles P-C4'-P energy: -81.136
tors. eta vs tors. theta energy: -162.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1817.440670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.440670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.440670 (E_RNA)
where:
Base-Base interactions energy: -1220.731
where: short stacking energy: -540.408
Base-Backbone interact. energy: -2.794
local terms energy: -593.915530
where:
bonds (distance) C4'-P energy: -121.112
bonds (distance) P-C4' energy: -111.176
flat angles C4'-P-C4' energy: -130.743
flat angles P-C4'-P energy: -84.896
tors. eta vs tors. theta energy: -145.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1441.454163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.454163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.454163 (E_RNA)
where:
Base-Base interactions energy: -905.774
where: short stacking energy: -416.020
Base-Backbone interact. energy: 6.698
local terms energy: -542.378800
where:
bonds (distance) C4'-P energy: -103.034
bonds (distance) P-C4' energy: -120.951
flat angles C4'-P-C4' energy: -124.741
flat angles P-C4'-P energy: -79.433
tors. eta vs tors. theta energy: -114.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1453.757776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.757776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.757776 (E_RNA)
where:
Base-Base interactions energy: -941.199
where: short stacking energy: -459.856
Base-Backbone interact. energy: -2.160
local terms energy: -510.398878
where:
bonds (distance) C4'-P energy: -96.428
bonds (distance) P-C4' energy: -104.107
flat angles C4'-P-C4' energy: -119.953
flat angles P-C4'-P energy: -76.108
tors. eta vs tors. theta energy: -113.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1082.424248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.424248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.424248 (E_RNA)
where:
Base-Base interactions energy: -639.977
where: short stacking energy: -315.504
Base-Backbone interact. energy: 3.086
local terms energy: -445.533345
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -102.139
flat angles C4'-P-C4' energy: -100.834
flat angles P-C4'-P energy: -85.432
tors. eta vs tors. theta energy: -51.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -961.433195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.433195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.433195 (E_RNA)
where:
Base-Base interactions energy: -545.924
where: short stacking energy: -272.170
Base-Backbone interact. energy: 1.163
local terms energy: -416.672069
where:
bonds (distance) C4'-P energy: -99.357
bonds (distance) P-C4' energy: -116.509
flat angles C4'-P-C4' energy: -103.833
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -33.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -470.502547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.502547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.502547 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -159.520
Base-Backbone interact. energy: -0.661
local terms energy: -290.091758
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -102.643
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: 14.085
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: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2193.008855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.008855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.008855 (E_RNA)
where:
Base-Base interactions energy: -1497.936
where: short stacking energy: -663.882
Base-Backbone interact. energy: -1.987
local terms energy: -693.085496
where:
bonds (distance) C4'-P energy: -116.541
bonds (distance) P-C4' energy: -131.563
flat angles C4'-P-C4' energy: -154.356
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -199.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2121.293194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.293194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.293194 (E_RNA)
where:
Base-Base interactions energy: -1436.174
where: short stacking energy: -639.171
Base-Backbone interact. energy: -3.110
local terms energy: -682.009523
where:
bonds (distance) C4'-P energy: -128.938
bonds (distance) P-C4' energy: -121.370
flat angles C4'-P-C4' energy: -139.539
flat angles P-C4'-P energy: -90.929
tors. eta vs tors. theta energy: -201.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2009.292252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.292252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.292252 (E_RNA)
where:
Base-Base interactions energy: -1375.785
where: short stacking energy: -567.140
Base-Backbone interact. energy: -7.562
local terms energy: -625.944916
where:
bonds (distance) C4'-P energy: -114.832
bonds (distance) P-C4' energy: -127.110
flat angles C4'-P-C4' energy: -124.548
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: -169.302
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: 467
Temperature: 1.050000
Total energy: -1878.830105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.830105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.830105 (E_RNA)
where:
Base-Base interactions energy: -1297.851
where: short stacking energy: -560.745
Base-Backbone interact. energy: 6.489
local terms energy: -587.467365
where:
bonds (distance) C4'-P energy: -119.268
bonds (distance) P-C4' energy: -114.727
flat angles C4'-P-C4' energy: -131.648
flat angles P-C4'-P energy: -75.740
tors. eta vs tors. theta energy: -146.084
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: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1810.479652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.479652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.479652 (E_RNA)
where:
Base-Base interactions energy: -1212.709
where: short stacking energy: -521.878
Base-Backbone interact. energy: -3.057
local terms energy: -594.714311
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -113.478
flat angles C4'-P-C4' energy: -134.233
flat angles P-C4'-P energy: -87.215
tors. eta vs tors. theta energy: -163.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1533.883167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.883167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.883167 (E_RNA)
where:
Base-Base interactions energy: -1038.534
where: short stacking energy: -433.865
Base-Backbone interact. energy: -2.426
local terms energy: -492.923359
where:
bonds (distance) C4'-P energy: -115.474
bonds (distance) P-C4' energy: -98.496
flat angles C4'-P-C4' energy: -97.392
flat angles P-C4'-P energy: -67.491
tors. eta vs tors. theta energy: -114.070
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: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1348.987004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.987004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.987004 (E_RNA)
where:
Base-Base interactions energy: -876.325
where: short stacking energy: -397.517
Base-Backbone interact. energy: -2.959
local terms energy: -469.702626
where:
bonds (distance) C4'-P energy: -93.274
bonds (distance) P-C4' energy: -100.243
flat angles C4'-P-C4' energy: -119.636
flat angles P-C4'-P energy: -65.906
tors. eta vs tors. theta energy: -90.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1042.161147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.161147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.161147 (E_RNA)
where:
Base-Base interactions energy: -648.139
where: short stacking energy: -337.211
Base-Backbone interact. energy: 3.389
local terms energy: -397.411186
where:
bonds (distance) C4'-P energy: -91.354
bonds (distance) P-C4' energy: -88.866
flat angles C4'-P-C4' energy: -98.767
flat angles P-C4'-P energy: -68.624
tors. eta vs tors. theta energy: -49.801
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -901.147358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.147358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.147358 (E_RNA)
where:
Base-Base interactions energy: -501.727
where: short stacking energy: -244.926
Base-Backbone interact. energy: -3.183
local terms energy: -396.236961
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -102.887
flat angles C4'-P-C4' energy: -111.925
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: -28.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -500.773236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.773236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.773236 (E_RNA)
where:
Base-Base interactions energy: -175.362
where: short stacking energy: -137.324
Base-Backbone interact. energy: 0.515
local terms energy: -325.926519
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -111.965
flat angles C4'-P-C4' energy: -84.849
flat angles P-C4'-P energy: -42.317
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: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2202.655708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.655708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.655708 (E_RNA)
where:
Base-Base interactions energy: -1501.098
where: short stacking energy: -644.262
Base-Backbone interact. energy: -2.509
local terms energy: -699.049117
where:
bonds (distance) C4'-P energy: -121.723
bonds (distance) P-C4' energy: -141.887
flat angles C4'-P-C4' energy: -137.140
flat angles P-C4'-P energy: -97.646
tors. eta vs tors. theta energy: -200.652
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: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2157.259990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.259990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.259990 (E_RNA)
where:
Base-Base interactions energy: -1481.222
where: short stacking energy: -643.183
Base-Backbone interact. energy: -1.083
local terms energy: -674.954395
where:
bonds (distance) C4'-P energy: -118.989
bonds (distance) P-C4' energy: -118.210
flat angles C4'-P-C4' energy: -143.859
flat angles P-C4'-P energy: -88.736
tors. eta vs tors. theta energy: -205.160
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: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1994.633035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.633035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.633035 (E_RNA)
where:
Base-Base interactions energy: -1376.330
where: short stacking energy: -553.936
Base-Backbone interact. energy: -2.701
local terms energy: -615.602010
where:
bonds (distance) C4'-P energy: -113.166
bonds (distance) P-C4' energy: -126.184
flat angles C4'-P-C4' energy: -134.854
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -158.704
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: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1907.064144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.064144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.064144 (E_RNA)
where:
Base-Base interactions energy: -1308.331
where: short stacking energy: -558.693
Base-Backbone interact. energy: 1.285
local terms energy: -600.018273
where:
bonds (distance) C4'-P energy: -113.126
bonds (distance) P-C4' energy: -123.381
flat angles C4'-P-C4' energy: -130.905
flat angles P-C4'-P energy: -82.741
tors. eta vs tors. theta energy: -149.865
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1824.728620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.728620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.728620 (E_RNA)
where:
Base-Base interactions energy: -1233.218
where: short stacking energy: -533.394
Base-Backbone interact. energy: -0.400
local terms energy: -591.110531
where:
bonds (distance) C4'-P energy: -106.549
bonds (distance) P-C4' energy: -106.899
flat angles C4'-P-C4' energy: -126.124
flat angles P-C4'-P energy: -85.927
tors. eta vs tors. theta energy: -165.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1571.401151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.401151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.401151 (E_RNA)
where:
Base-Base interactions energy: -1049.627
where: short stacking energy: -455.675
Base-Backbone interact. energy: -2.723
local terms energy: -519.051214
where:
bonds (distance) C4'-P energy: -107.113
bonds (distance) P-C4' energy: -98.863
flat angles C4'-P-C4' energy: -121.152
flat angles P-C4'-P energy: -66.563
tors. eta vs tors. theta energy: -125.360
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: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1367.526750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.526750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.526750 (E_RNA)
where:
Base-Base interactions energy: -885.150
where: short stacking energy: -393.276
Base-Backbone interact. energy: -1.432
local terms energy: -480.944019
where:
bonds (distance) C4'-P energy: -110.511
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -120.325
flat angles P-C4'-P energy: -69.145
tors. eta vs tors. theta energy: -80.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1105.136195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.136195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.136195 (E_RNA)
where:
Base-Base interactions energy: -674.434
where: short stacking energy: -316.693
Base-Backbone interact. energy: -2.585
local terms energy: -428.117165
where:
bonds (distance) C4'-P energy: -107.707
bonds (distance) P-C4' energy: -110.989
flat angles C4'-P-C4' energy: -106.420
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: -51.701
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -916.251691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.251691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.251691 (E_RNA)
where:
Base-Base interactions energy: -503.206
where: short stacking energy: -264.539
Base-Backbone interact. energy: -2.069
local terms energy: -410.975970
where:
bonds (distance) C4'-P energy: -98.961
bonds (distance) P-C4' energy: -100.278
flat angles C4'-P-C4' energy: -103.502
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -54.815
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: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -541.438944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.438944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.438944 (E_RNA)
where:
Base-Base interactions energy: -177.859
where: short stacking energy: -144.128
Base-Backbone interact. energy: 1.293
local terms energy: -364.873464
where:
bonds (distance) C4'-P energy: -91.486
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -91.383
flat angles P-C4'-P energy: -81.683
tors. eta vs tors. theta energy: 18.198
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: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2196.139142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.139142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.139142 (E_RNA)
where:
Base-Base interactions energy: -1501.175
where: short stacking energy: -626.740
Base-Backbone interact. energy: -0.987
local terms energy: -693.977699
where:
bonds (distance) C4'-P energy: -126.604
bonds (distance) P-C4' energy: -129.891
flat angles C4'-P-C4' energy: -139.399
flat angles P-C4'-P energy: -107.462
tors. eta vs tors. theta energy: -190.621
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: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2107.609496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.609496 (E_RNA)
where:
Base-Base interactions energy: -1433.741
where: short stacking energy: -643.354
Base-Backbone interact. energy: -3.382
local terms energy: -670.486198
where:
bonds (distance) C4'-P energy: -123.324
bonds (distance) P-C4' energy: -129.639
flat angles C4'-P-C4' energy: -135.281
flat angles P-C4'-P energy: -87.076
tors. eta vs tors. theta energy: -195.166
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: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2012.405514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.405514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.405514 (E_RNA)
where:
Base-Base interactions energy: -1400.719
where: short stacking energy: -590.452
Base-Backbone interact. energy: -6.481
local terms energy: -605.205930
where:
bonds (distance) C4'-P energy: -103.063
bonds (distance) P-C4' energy: -113.543
flat angles C4'-P-C4' energy: -133.156
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -162.932
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: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1886.944103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.944103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.944103 (E_RNA)
where:
Base-Base interactions energy: -1295.286
where: short stacking energy: -543.751
Base-Backbone interact. energy: 0.704
local terms energy: -592.361792
where:
bonds (distance) C4'-P energy: -100.221
bonds (distance) P-C4' energy: -130.521
flat angles C4'-P-C4' energy: -131.233
flat angles P-C4'-P energy: -85.321
tors. eta vs tors. theta energy: -145.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1842.059104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.059104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.059104 (E_RNA)
where:
Base-Base interactions energy: -1235.814
where: short stacking energy: -536.902
Base-Backbone interact. energy: 2.205
local terms energy: -608.450392
where:
bonds (distance) C4'-P energy: -123.970
bonds (distance) P-C4' energy: -103.349
flat angles C4'-P-C4' energy: -129.906
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -160.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1628.451243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.451243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.451243 (E_RNA)
where:
Base-Base interactions energy: -1082.247
where: short stacking energy: -469.805
Base-Backbone interact. energy: -2.415
local terms energy: -543.789609
where:
bonds (distance) C4'-P energy: -98.263
bonds (distance) P-C4' energy: -134.461
flat angles C4'-P-C4' energy: -130.808
flat angles P-C4'-P energy: -68.297
tors. eta vs tors. theta energy: -111.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1321.540858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.540858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.540858 (E_RNA)
where:
Base-Base interactions energy: -811.489
where: short stacking energy: -390.123
Base-Backbone interact. energy: -4.985
local terms energy: -505.067055
where:
bonds (distance) C4'-P energy: -98.344
bonds (distance) P-C4' energy: -127.330
flat angles C4'-P-C4' energy: -94.946
flat angles P-C4'-P energy: -81.597
tors. eta vs tors. theta energy: -102.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1072.551754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.551754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.551754 (E_RNA)
where:
Base-Base interactions energy: -629.540
where: short stacking energy: -308.112
Base-Backbone interact. energy: -3.079
local terms energy: -439.932688
where:
bonds (distance) C4'-P energy: -88.908
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -126.643
flat angles P-C4'-P energy: -74.227
tors. eta vs tors. theta energy: -34.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -878.243350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.243350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.243350 (E_RNA)
where:
Base-Base interactions energy: -499.932
where: short stacking energy: -257.445
Base-Backbone interact. energy: -0.453
local terms energy: -377.857994
where:
bonds (distance) C4'-P energy: -101.577
bonds (distance) P-C4' energy: -105.218
flat angles C4'-P-C4' energy: -82.935
flat angles P-C4'-P energy: -60.727
tors. eta vs tors. theta energy: -27.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -500.819219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.819219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.819219 (E_RNA)
where:
Base-Base interactions energy: -228.201
where: short stacking energy: -171.802
Base-Backbone interact. energy: 8.616
local terms energy: -281.234306
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -111.765
flat angles C4'-P-C4' energy: -51.767
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: 14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2217.726683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.726683 (E_RNA)
where:
Base-Base interactions energy: -1509.985
where: short stacking energy: -666.202
Base-Backbone interact. energy: -1.024
local terms energy: -706.717643
where:
bonds (distance) C4'-P energy: -127.048
bonds (distance) P-C4' energy: -123.161
flat angles C4'-P-C4' energy: -153.124
flat angles P-C4'-P energy: -102.120
tors. eta vs tors. theta energy: -201.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2128.780726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.780726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.780726 (E_RNA)
where:
Base-Base interactions energy: -1463.170
where: short stacking energy: -632.792
Base-Backbone interact. energy: -6.050
local terms energy: -659.560950
where:
bonds (distance) C4'-P energy: -115.304
bonds (distance) P-C4' energy: -119.871
flat angles C4'-P-C4' energy: -135.954
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -194.866
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: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1992.886196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.886196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.886196 (E_RNA)
where:
Base-Base interactions energy: -1358.296
where: short stacking energy: -580.819
Base-Backbone interact. energy: -4.985
local terms energy: -629.605069
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -120.550
flat angles C4'-P-C4' energy: -132.219
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -156.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1901.156254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.156254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.156254 (E_RNA)
where:
Base-Base interactions energy: -1304.091
where: short stacking energy: -558.988
Base-Backbone interact. energy: -1.245
local terms energy: -595.820437
where:
bonds (distance) C4'-P energy: -111.583
bonds (distance) P-C4' energy: -121.599
flat angles C4'-P-C4' energy: -132.654
flat angles P-C4'-P energy: -83.140
tors. eta vs tors. theta energy: -146.844
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: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1813.197949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.197949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.197949 (E_RNA)
where:
Base-Base interactions energy: -1233.744
where: short stacking energy: -569.601
Base-Backbone interact. energy: -2.104
local terms energy: -577.349185
where:
bonds (distance) C4'-P energy: -104.531
bonds (distance) P-C4' energy: -107.351
flat angles C4'-P-C4' energy: -130.722
flat angles P-C4'-P energy: -60.615
tors. eta vs tors. theta energy: -174.129
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1593.151407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.151407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.151407 (E_RNA)
where:
Base-Base interactions energy: -1091.320
where: short stacking energy: -480.375
Base-Backbone interact. energy: -1.599
local terms energy: -500.232442
where:
bonds (distance) C4'-P energy: -99.743
bonds (distance) P-C4' energy: -105.487
flat angles C4'-P-C4' energy: -108.373
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -118.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1333.597266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.597266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.597266 (E_RNA)
where:
Base-Base interactions energy: -831.485
where: short stacking energy: -391.652
Base-Backbone interact. energy: -1.108
local terms energy: -501.003646
where:
bonds (distance) C4'-P energy: -124.915
bonds (distance) P-C4' energy: -108.023
flat angles C4'-P-C4' energy: -108.439
flat angles P-C4'-P energy: -70.798
tors. eta vs tors. theta energy: -88.828
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: 470
Temperature: 1.250000
Total energy: -1028.524994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.524994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.524994 (E_RNA)
where:
Base-Base interactions energy: -600.506
where: short stacking energy: -316.975
Base-Backbone interact. energy: 2.100
local terms energy: -430.119032
where:
bonds (distance) C4'-P energy: -106.034
bonds (distance) P-C4' energy: -107.093
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -65.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -857.022598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.022598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.022598 (E_RNA)
where:
Base-Base interactions energy: -472.588
where: short stacking energy: -275.709
Base-Backbone interact. energy: -2.779
local terms energy: -381.655855
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -101.537
flat angles C4'-P-C4' energy: -88.496
flat angles P-C4'-P energy: -50.985
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -500.385568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.385568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.385568 (E_RNA)
where:
Base-Base interactions energy: -191.410
where: short stacking energy: -155.524
Base-Backbone interact. energy: 1.440
local terms energy: -310.415388
where:
bonds (distance) C4'-P energy: -103.016
bonds (distance) P-C4' energy: -92.541
flat angles C4'-P-C4' energy: -91.311
flat angles P-C4'-P energy: -51.422
tors. eta vs tors. theta energy: 27.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2198.511866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.511866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.511866 (E_RNA)
where:
Base-Base interactions energy: -1518.936
where: short stacking energy: -644.351
Base-Backbone interact. energy: 0.385
local terms energy: -679.960750
where:
bonds (distance) C4'-P energy: -105.159
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -154.032
flat angles P-C4'-P energy: -108.163
tors. eta vs tors. theta energy: -190.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2127.399967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.399967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.399967 (E_RNA)
where:
Base-Base interactions energy: -1433.687
where: short stacking energy: -642.407
Base-Backbone interact. energy: -1.961
local terms energy: -691.752428
where:
bonds (distance) C4'-P energy: -122.369
bonds (distance) P-C4' energy: -129.897
flat angles C4'-P-C4' energy: -135.437
flat angles P-C4'-P energy: -98.312
tors. eta vs tors. theta energy: -205.738
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: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2006.224893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.224893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.224893 (E_RNA)
where:
Base-Base interactions energy: -1400.919
where: short stacking energy: -596.205
Base-Backbone interact. energy: -4.417
local terms energy: -600.889669
where:
bonds (distance) C4'-P energy: -108.646
bonds (distance) P-C4' energy: -124.188
flat angles C4'-P-C4' energy: -130.769
flat angles P-C4'-P energy: -87.314
tors. eta vs tors. theta energy: -149.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1916.591101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.591101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.591101 (E_RNA)
where:
Base-Base interactions energy: -1340.396
where: short stacking energy: -573.522
Base-Backbone interact. energy: 2.195
local terms energy: -578.389832
where:
bonds (distance) C4'-P energy: -108.913
bonds (distance) P-C4' energy: -92.793
flat angles C4'-P-C4' energy: -134.404
flat angles P-C4'-P energy: -83.590
tors. eta vs tors. theta energy: -158.690
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: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1833.679243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.679243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.679243 (E_RNA)
where:
Base-Base interactions energy: -1237.005
where: short stacking energy: -537.765
Base-Backbone interact. energy: -3.011
local terms energy: -593.662872
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -110.023
flat angles C4'-P-C4' energy: -127.804
flat angles P-C4'-P energy: -89.660
tors. eta vs tors. theta energy: -151.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1639.348285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.348285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.348285 (E_RNA)
where:
Base-Base interactions energy: -1105.374
where: short stacking energy: -504.129
Base-Backbone interact. energy: 0.130
local terms energy: -534.104666
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -110.092
flat angles C4'-P-C4' energy: -114.584
flat angles P-C4'-P energy: -70.545
tors. eta vs tors. theta energy: -126.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1388.602551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.602551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.602551 (E_RNA)
where:
Base-Base interactions energy: -874.455
where: short stacking energy: -377.199
Base-Backbone interact. energy: -4.584
local terms energy: -509.563997
where:
bonds (distance) C4'-P energy: -101.363
bonds (distance) P-C4' energy: -114.976
flat angles C4'-P-C4' energy: -120.224
flat angles P-C4'-P energy: -76.935
tors. eta vs tors. theta energy: -96.065
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: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1151.591745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.591745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.591745 (E_RNA)
where:
Base-Base interactions energy: -690.661
where: short stacking energy: -310.329
Base-Backbone interact. energy: 1.940
local terms energy: -462.870547
where:
bonds (distance) C4'-P energy: -101.251
bonds (distance) P-C4' energy: -116.613
flat angles C4'-P-C4' energy: -104.512
flat angles P-C4'-P energy: -82.382
tors. eta vs tors. theta energy: -58.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -907.366013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.366013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.366013 (E_RNA)
where:
Base-Base interactions energy: -540.020
where: short stacking energy: -252.870
Base-Backbone interact. energy: 1.414
local terms energy: -368.760288
where:
bonds (distance) C4'-P energy: -91.046
bonds (distance) P-C4' energy: -113.773
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -66.828
tors. eta vs tors. theta energy: -18.129
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -474.983707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.983707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.983707 (E_RNA)
where:
Base-Base interactions energy: -174.217
where: short stacking energy: -139.989
Base-Backbone interact. energy: 7.726
local terms energy: -308.492887
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -108.684
flat angles C4'-P-C4' energy: -93.374
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: 34.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2193.119447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.119447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.119447 (E_RNA)
where:
Base-Base interactions energy: -1512.306
where: short stacking energy: -655.825
Base-Backbone interact. energy: -2.641
local terms energy: -678.171781
where:
bonds (distance) C4'-P energy: -116.685
bonds (distance) P-C4' energy: -118.447
flat angles C4'-P-C4' energy: -142.399
flat angles P-C4'-P energy: -112.398
tors. eta vs tors. theta energy: -188.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2118.788638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.788638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.788638 (E_RNA)
where:
Base-Base interactions energy: -1447.771
where: short stacking energy: -629.039
Base-Backbone interact. energy: -1.956
local terms energy: -669.061260
where:
bonds (distance) C4'-P energy: -109.292
bonds (distance) P-C4' energy: -130.737
flat angles C4'-P-C4' energy: -142.405
flat angles P-C4'-P energy: -88.292
tors. eta vs tors. theta energy: -198.335
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: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1997.772301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.772301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.772301 (E_RNA)
where:
Base-Base interactions energy: -1370.790
where: short stacking energy: -558.120
Base-Backbone interact. energy: -7.297
local terms energy: -619.685796
where:
bonds (distance) C4'-P energy: -114.439
bonds (distance) P-C4' energy: -125.483
flat angles C4'-P-C4' energy: -132.881
flat angles P-C4'-P energy: -87.362
tors. eta vs tors. theta energy: -159.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1911.495213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.495213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.495213 (E_RNA)
where:
Base-Base interactions energy: -1320.740
where: short stacking energy: -550.987
Base-Backbone interact. energy: -5.111
local terms energy: -585.644855
where:
bonds (distance) C4'-P energy: -99.902
bonds (distance) P-C4' energy: -128.333
flat angles C4'-P-C4' energy: -130.373
flat angles P-C4'-P energy: -71.429
tors. eta vs tors. theta energy: -155.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1836.341669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.341669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.341669 (E_RNA)
where:
Base-Base interactions energy: -1219.358
where: short stacking energy: -543.099
Base-Backbone interact. energy: -0.389
local terms energy: -616.594472
where:
bonds (distance) C4'-P energy: -115.642
bonds (distance) P-C4' energy: -122.763
flat angles C4'-P-C4' energy: -135.318
flat angles P-C4'-P energy: -82.498
tors. eta vs tors. theta energy: -160.374
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: 472
Temperature: 1.150000
Total energy: -1575.715836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.715836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.715836 (E_RNA)
where:
Base-Base interactions energy: -1051.111
where: short stacking energy: -463.167
Base-Backbone interact. energy: 2.606
local terms energy: -527.210704
where:
bonds (distance) C4'-P energy: -106.958
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -120.780
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -111.104
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: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1393.789662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.789662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.789662 (E_RNA)
where:
Base-Base interactions energy: -907.229
where: short stacking energy: -396.476
Base-Backbone interact. energy: -2.466
local terms energy: -484.094848
where:
bonds (distance) C4'-P energy: -107.781
bonds (distance) P-C4' energy: -107.455
flat angles C4'-P-C4' energy: -103.171
flat angles P-C4'-P energy: -74.523
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1138.008332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.008332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.008332 (E_RNA)
where:
Base-Base interactions energy: -696.941
where: short stacking energy: -328.432
Base-Backbone interact. energy: -4.121
local terms energy: -436.946101
where:
bonds (distance) C4'-P energy: -100.660
bonds (distance) P-C4' energy: -105.918
flat angles C4'-P-C4' energy: -109.021
flat angles P-C4'-P energy: -63.216
tors. eta vs tors. theta energy: -58.130
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: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -912.773401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.773401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.773401 (E_RNA)
where:
Base-Base interactions energy: -539.067
where: short stacking energy: -294.848
Base-Backbone interact. energy: -5.083
local terms energy: -368.622955
where:
bonds (distance) C4'-P energy: -73.426
bonds (distance) P-C4' energy: -102.248
flat angles C4'-P-C4' energy: -106.299
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -562.819988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.819988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.819988 (E_RNA)
where:
Base-Base interactions energy: -233.016
where: short stacking energy: -151.635
Base-Backbone interact. energy: -2.542
local terms energy: -327.262577
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -63.374
tors. eta vs tors. theta energy: 9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2189.571553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.571553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.571553 (E_RNA)
where:
Base-Base interactions energy: -1498.736
where: short stacking energy: -636.297
Base-Backbone interact. energy: -3.612
local terms energy: -687.224065
where:
bonds (distance) C4'-P energy: -139.640
bonds (distance) P-C4' energy: -128.849
flat angles C4'-P-C4' energy: -142.365
flat angles P-C4'-P energy: -85.036
tors. eta vs tors. theta energy: -191.333
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: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2106.357467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.357467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.357467 (E_RNA)
where:
Base-Base interactions energy: -1443.891
where: short stacking energy: -642.138
Base-Backbone interact. energy: -3.435
local terms energy: -659.031788
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -114.766
flat angles C4'-P-C4' energy: -138.302
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -194.951
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: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1977.898392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.898392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.898392 (E_RNA)
where:
Base-Base interactions energy: -1334.964
where: short stacking energy: -577.873
Base-Backbone interact. energy: -2.965
local terms energy: -639.969391
where:
bonds (distance) C4'-P energy: -120.654
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -142.283
flat angles P-C4'-P energy: -102.756
tors. eta vs tors. theta energy: -161.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1890.691202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.691202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.691202 (E_RNA)
where:
Base-Base interactions energy: -1291.084
where: short stacking energy: -531.104
Base-Backbone interact. energy: 0.093
local terms energy: -599.700583
where:
bonds (distance) C4'-P energy: -101.267
bonds (distance) P-C4' energy: -128.107
flat angles C4'-P-C4' energy: -129.120
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -146.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1842.382915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.382915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.382915 (E_RNA)
where:
Base-Base interactions energy: -1247.495
where: short stacking energy: -538.949
Base-Backbone interact. energy: -0.357
local terms energy: -594.530627
where:
bonds (distance) C4'-P energy: -116.684
bonds (distance) P-C4' energy: -111.318
flat angles C4'-P-C4' energy: -122.908
flat angles P-C4'-P energy: -88.756
tors. eta vs tors. theta energy: -154.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1579.574746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.574746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.574746 (E_RNA)
where:
Base-Base interactions energy: -1069.342
where: short stacking energy: -464.286
Base-Backbone interact. energy: 0.090
local terms energy: -510.322797
where:
bonds (distance) C4'-P energy: -101.105
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -111.586
flat angles P-C4'-P energy: -79.533
tors. eta vs tors. theta energy: -99.252
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1370.680798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.680798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.680798 (E_RNA)
where:
Base-Base interactions energy: -855.212
where: short stacking energy: -390.873
Base-Backbone interact. energy: 1.808
local terms energy: -517.277382
where:
bonds (distance) C4'-P energy: -117.779
bonds (distance) P-C4' energy: -117.244
flat angles C4'-P-C4' energy: -111.033
flat angles P-C4'-P energy: -73.833
tors. eta vs tors. theta energy: -97.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1155.645907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.645907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.645907 (E_RNA)
where:
Base-Base interactions energy: -699.152
where: short stacking energy: -348.799
Base-Backbone interact. energy: 0.151
local terms energy: -456.644978
where:
bonds (distance) C4'-P energy: -102.803
bonds (distance) P-C4' energy: -102.497
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -78.245
tors. eta vs tors. theta energy: -70.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -873.979636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.979636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.979636 (E_RNA)
where:
Base-Base interactions energy: -505.337
where: short stacking energy: -276.710
Base-Backbone interact. energy: 1.238
local terms energy: -369.880964
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -99.635
flat angles C4'-P-C4' energy: -83.079
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -26.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -596.244161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.244161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.244161 (E_RNA)
where:
Base-Base interactions energy: -250.506
where: short stacking energy: -174.768
Base-Backbone interact. energy: -4.717
local terms energy: -341.021321
where:
bonds (distance) C4'-P energy: -96.861
bonds (distance) P-C4' energy: -117.397
flat angles C4'-P-C4' energy: -90.877
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: 3.634
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: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2198.928876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.928876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.928876 (E_RNA)
where:
Base-Base interactions energy: -1518.509
where: short stacking energy: -642.796
Base-Backbone interact. energy: -2.779
local terms energy: -677.640382
where:
bonds (distance) C4'-P energy: -111.199
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -137.411
flat angles P-C4'-P energy: -101.343
tors. eta vs tors. theta energy: -194.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2090.812448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.812448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.812448 (E_RNA)
where:
Base-Base interactions energy: -1452.291
where: short stacking energy: -613.830
Base-Backbone interact. energy: -1.351
local terms energy: -637.170745
where:
bonds (distance) C4'-P energy: -113.874
bonds (distance) P-C4' energy: -123.147
flat angles C4'-P-C4' energy: -137.707
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -185.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1992.571153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.571153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.571153 (E_RNA)
where:
Base-Base interactions energy: -1370.777
where: short stacking energy: -587.279
Base-Backbone interact. energy: 2.699
local terms energy: -624.492446
where:
bonds (distance) C4'-P energy: -115.770
bonds (distance) P-C4' energy: -129.117
flat angles C4'-P-C4' energy: -124.334
flat angles P-C4'-P energy: -91.820
tors. eta vs tors. theta energy: -163.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1925.644263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.644263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.644263 (E_RNA)
where:
Base-Base interactions energy: -1323.255
where: short stacking energy: -564.256
Base-Backbone interact. energy: -1.228
local terms energy: -601.161589
where:
bonds (distance) C4'-P energy: -100.363
bonds (distance) P-C4' energy: -123.696
flat angles C4'-P-C4' energy: -134.963
flat angles P-C4'-P energy: -87.463
tors. eta vs tors. theta energy: -154.676
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: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1830.787468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.787468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.787468 (E_RNA)
where:
Base-Base interactions energy: -1208.113
where: short stacking energy: -516.844
Base-Backbone interact. energy: 0.111
local terms energy: -622.785459
where:
bonds (distance) C4'-P energy: -117.301
bonds (distance) P-C4' energy: -127.178
flat angles C4'-P-C4' energy: -126.847
flat angles P-C4'-P energy: -92.837
tors. eta vs tors. theta energy: -158.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1626.194171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.194171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.194171 (E_RNA)
where:
Base-Base interactions energy: -1079.284
where: short stacking energy: -489.923
Base-Backbone interact. energy: -2.523
local terms energy: -544.387549
where:
bonds (distance) C4'-P energy: -102.248
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -123.001
flat angles P-C4'-P energy: -82.321
tors. eta vs tors. theta energy: -128.864
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: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1364.381258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.381258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.381258 (E_RNA)
where:
Base-Base interactions energy: -901.667
where: short stacking energy: -393.302
Base-Backbone interact. energy: -0.596
local terms energy: -462.118561
where:
bonds (distance) C4'-P energy: -107.626
bonds (distance) P-C4' energy: -99.961
flat angles C4'-P-C4' energy: -110.304
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -92.918
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: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1133.928649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.928649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.928649 (E_RNA)
where:
Base-Base interactions energy: -697.781
where: short stacking energy: -321.384
Base-Backbone interact. energy: 1.792
local terms energy: -437.940284
where:
bonds (distance) C4'-P energy: -88.135
bonds (distance) P-C4' energy: -116.388
flat angles C4'-P-C4' energy: -108.328
flat angles P-C4'-P energy: -66.746
tors. eta vs tors. theta energy: -58.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -886.940684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.940684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.940684 (E_RNA)
where:
Base-Base interactions energy: -516.768
where: short stacking energy: -291.444
Base-Backbone interact. energy: -2.965
local terms energy: -367.207309
where:
bonds (distance) C4'-P energy: -106.454
bonds (distance) P-C4' energy: -90.589
flat angles C4'-P-C4' energy: -86.518
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -33.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -606.591388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.591388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.591388 (E_RNA)
where:
Base-Base interactions energy: -273.029
where: short stacking energy: -171.024
Base-Backbone interact. energy: 3.378
local terms energy: -336.940511
where:
bonds (distance) C4'-P energy: -100.645
bonds (distance) P-C4' energy: -109.782
flat angles C4'-P-C4' energy: -80.818
flat angles P-C4'-P energy: -47.434
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2187.419610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.419610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.419610 (E_RNA)
where:
Base-Base interactions energy: -1493.210
where: short stacking energy: -659.158
Base-Backbone interact. energy: -3.442
local terms energy: -690.766932
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -125.809
flat angles C4'-P-C4' energy: -138.899
flat angles P-C4'-P energy: -106.226
tors. eta vs tors. theta energy: -187.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2119.980587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.980587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.980587 (E_RNA)
where:
Base-Base interactions energy: -1420.251
where: short stacking energy: -635.810
Base-Backbone interact. energy: -1.272
local terms energy: -698.457051
where:
bonds (distance) C4'-P energy: -121.113
bonds (distance) P-C4' energy: -132.808
flat angles C4'-P-C4' energy: -137.986
flat angles P-C4'-P energy: -104.476
tors. eta vs tors. theta energy: -202.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1982.461420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.461420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.461420 (E_RNA)
where:
Base-Base interactions energy: -1357.389
where: short stacking energy: -571.793
Base-Backbone interact. energy: -4.158
local terms energy: -620.915024
where:
bonds (distance) C4'-P energy: -122.389
bonds (distance) P-C4' energy: -108.586
flat angles C4'-P-C4' energy: -138.907
flat angles P-C4'-P energy: -91.659
tors. eta vs tors. theta energy: -159.375
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: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1937.935105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.935105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.935105 (E_RNA)
where:
Base-Base interactions energy: -1315.432
where: short stacking energy: -572.253
Base-Backbone interact. energy: -1.858
local terms energy: -620.645136
where:
bonds (distance) C4'-P energy: -115.281
bonds (distance) P-C4' energy: -122.768
flat angles C4'-P-C4' energy: -145.094
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -153.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1815.401379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.401379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.401379 (E_RNA)
where:
Base-Base interactions energy: -1211.464
where: short stacking energy: -541.218
Base-Backbone interact. energy: -0.764
local terms energy: -603.173527
where:
bonds (distance) C4'-P energy: -107.305
bonds (distance) P-C4' energy: -123.379
flat angles C4'-P-C4' energy: -132.608
flat angles P-C4'-P energy: -81.146
tors. eta vs tors. theta energy: -158.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1619.342339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.342339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.342339 (E_RNA)
where:
Base-Base interactions energy: -1076.525
where: short stacking energy: -493.854
Base-Backbone interact. energy: -5.389
local terms energy: -537.428707
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -110.026
flat angles C4'-P-C4' energy: -125.565
flat angles P-C4'-P energy: -75.972
tors. eta vs tors. theta energy: -125.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1429.972453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.972453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.972453 (E_RNA)
where:
Base-Base interactions energy: -910.689
where: short stacking energy: -415.869
Base-Backbone interact. energy: -0.747
local terms energy: -518.536472
where:
bonds (distance) C4'-P energy: -108.686
bonds (distance) P-C4' energy: -116.080
flat angles C4'-P-C4' energy: -107.173
flat angles P-C4'-P energy: -73.499
tors. eta vs tors. theta energy: -113.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1170.143774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.143774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.143774 (E_RNA)
where:
Base-Base interactions energy: -703.678
where: short stacking energy: -321.490
Base-Backbone interact. energy: -0.445
local terms energy: -466.020302
where:
bonds (distance) C4'-P energy: -102.841
bonds (distance) P-C4' energy: -102.750
flat angles C4'-P-C4' energy: -120.314
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -62.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -851.197241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.197241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.197241 (E_RNA)
where:
Base-Base interactions energy: -474.238
where: short stacking energy: -249.317
Base-Backbone interact. energy: -2.486
local terms energy: -374.472949
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -119.308
flat angles C4'-P-C4' energy: -84.000
flat angles P-C4'-P energy: -56.506
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -469.124366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.124366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.124366 (E_RNA)
where:
Base-Base interactions energy: -186.484
where: short stacking energy: -141.024
Base-Backbone interact. energy: 4.331
local terms energy: -286.970973
where:
bonds (distance) C4'-P energy: -88.486
bonds (distance) P-C4' energy: -114.292
flat angles C4'-P-C4' energy: -85.783
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: 36.801
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: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2192.364764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.364764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.364764 (E_RNA)
where:
Base-Base interactions energy: -1505.070
where: short stacking energy: -643.195
Base-Backbone interact. energy: -1.266
local terms energy: -686.029614
where:
bonds (distance) C4'-P energy: -135.006
bonds (distance) P-C4' energy: -134.529
flat angles C4'-P-C4' energy: -136.389
flat angles P-C4'-P energy: -87.773
tors. eta vs tors. theta energy: -192.333
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: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2134.075385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.075385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.075385 (E_RNA)
where:
Base-Base interactions energy: -1448.087
where: short stacking energy: -637.225
Base-Backbone interact. energy: -4.417
local terms energy: -681.571616
where:
bonds (distance) C4'-P energy: -118.952
bonds (distance) P-C4' energy: -125.579
flat angles C4'-P-C4' energy: -139.849
flat angles P-C4'-P energy: -100.484
tors. eta vs tors. theta energy: -196.707
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: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1979.146808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.146808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.146808 (E_RNA)
where:
Base-Base interactions energy: -1347.799
where: short stacking energy: -546.791
Base-Backbone interact. energy: -3.377
local terms energy: -627.971109
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -120.920
flat angles C4'-P-C4' energy: -140.315
flat angles P-C4'-P energy: -97.326
tors. eta vs tors. theta energy: -158.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1919.671069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.671069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.671069 (E_RNA)
where:
Base-Base interactions energy: -1314.479
where: short stacking energy: -549.564
Base-Backbone interact. energy: -0.493
local terms energy: -604.698460
where:
bonds (distance) C4'-P energy: -111.755
bonds (distance) P-C4' energy: -124.966
flat angles C4'-P-C4' energy: -140.441
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -148.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1815.695163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.695163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.695163 (E_RNA)
where:
Base-Base interactions energy: -1197.337
where: short stacking energy: -514.764
Base-Backbone interact. energy: 0.797
local terms energy: -619.155416
where:
bonds (distance) C4'-P energy: -120.413
bonds (distance) P-C4' energy: -116.744
flat angles C4'-P-C4' energy: -127.187
flat angles P-C4'-P energy: -88.417
tors. eta vs tors. theta energy: -166.394
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: 476
Temperature: 1.150000
Total energy: -1603.121753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.121753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.121753 (E_RNA)
where:
Base-Base interactions energy: -1073.922
where: short stacking energy: -468.605
Base-Backbone interact. energy: -2.058
local terms energy: -527.141655
where:
bonds (distance) C4'-P energy: -102.214
bonds (distance) P-C4' energy: -98.789
flat angles C4'-P-C4' energy: -117.638
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -133.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1403.762137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.762137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.762137 (E_RNA)
where:
Base-Base interactions energy: -917.194
where: short stacking energy: -419.826
Base-Backbone interact. energy: 1.003
local terms energy: -487.571307
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -74.686
tors. eta vs tors. theta energy: -97.273
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: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1145.602430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.602430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.602430 (E_RNA)
where:
Base-Base interactions energy: -708.272
where: short stacking energy: -323.638
Base-Backbone interact. energy: -3.651
local terms energy: -433.680195
where:
bonds (distance) C4'-P energy: -123.700
bonds (distance) P-C4' energy: -91.357
flat angles C4'-P-C4' energy: -91.971
flat angles P-C4'-P energy: -70.204
tors. eta vs tors. theta energy: -56.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -854.288187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.288187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.288187 (E_RNA)
where:
Base-Base interactions energy: -468.892
where: short stacking energy: -247.576
Base-Backbone interact. energy: -1.697
local terms energy: -383.699168
where:
bonds (distance) C4'-P energy: -81.761
bonds (distance) P-C4' energy: -118.433
flat angles C4'-P-C4' energy: -92.008
flat angles P-C4'-P energy: -62.960
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -494.197699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.197699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.197699 (E_RNA)
where:
Base-Base interactions energy: -162.352
where: short stacking energy: -137.763
Base-Backbone interact. energy: 5.573
local terms energy: -337.418833
where:
bonds (distance) C4'-P energy: -87.680
bonds (distance) P-C4' energy: -109.186
flat angles C4'-P-C4' energy: -95.309
flat angles P-C4'-P energy: -64.859
tors. eta vs tors. theta energy: 19.615
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: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2177.031979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.031979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.031979 (E_RNA)
where:
Base-Base interactions energy: -1508.537
where: short stacking energy: -641.233
Base-Backbone interact. energy: -3.851
local terms energy: -664.644297
where:
bonds (distance) C4'-P energy: -122.536
bonds (distance) P-C4' energy: -133.110
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -201.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2103.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.924970 (E_RNA)
where:
Base-Base interactions energy: -1449.167
where: short stacking energy: -638.792
Base-Backbone interact. energy: -0.676
local terms energy: -654.081283
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -112.043
flat angles C4'-P-C4' energy: -135.918
flat angles P-C4'-P energy: -98.827
tors. eta vs tors. theta energy: -202.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1986.814939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.814939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.814939 (E_RNA)
where:
Base-Base interactions energy: -1355.012
where: short stacking energy: -581.482
Base-Backbone interact. energy: -3.498
local terms energy: -628.305367
where:
bonds (distance) C4'-P energy: -112.862
bonds (distance) P-C4' energy: -116.898
flat angles C4'-P-C4' energy: -132.842
flat angles P-C4'-P energy: -90.379
tors. eta vs tors. theta energy: -175.325
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: 477
Temperature: 1.050000
Total energy: -1953.377449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.377449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.377449 (E_RNA)
where:
Base-Base interactions energy: -1332.765
where: short stacking energy: -571.742
Base-Backbone interact. energy: -2.169
local terms energy: -618.443106
where:
bonds (distance) C4'-P energy: -128.315
bonds (distance) P-C4' energy: -110.815
flat angles C4'-P-C4' energy: -130.702
flat angles P-C4'-P energy: -89.300
tors. eta vs tors. theta energy: -159.311
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: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1843.747121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.747121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.747121 (E_RNA)
where:
Base-Base interactions energy: -1226.414
where: short stacking energy: -529.953
Base-Backbone interact. energy: -2.455
local terms energy: -614.877961
where:
bonds (distance) C4'-P energy: -104.164
bonds (distance) P-C4' energy: -122.647
flat angles C4'-P-C4' energy: -133.720
flat angles P-C4'-P energy: -100.308
tors. eta vs tors. theta energy: -154.040
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: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1572.822248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.822248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.822248 (E_RNA)
where:
Base-Base interactions energy: -1035.922
where: short stacking energy: -490.691
Base-Backbone interact. energy: -2.683
local terms energy: -534.217276
where:
bonds (distance) C4'-P energy: -118.633
bonds (distance) P-C4' energy: -118.674
flat angles C4'-P-C4' energy: -115.813
flat angles P-C4'-P energy: -49.298
tors. eta vs tors. theta energy: -131.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1409.893262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.893262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.893262 (E_RNA)
where:
Base-Base interactions energy: -894.310
where: short stacking energy: -396.389
Base-Backbone interact. energy: -2.698
local terms energy: -512.885523
where:
bonds (distance) C4'-P energy: -98.568
bonds (distance) P-C4' energy: -124.453
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -105.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1134.357429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.357429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.357429 (E_RNA)
where:
Base-Base interactions energy: -671.419
where: short stacking energy: -342.978
Base-Backbone interact. energy: -2.015
local terms energy: -460.923908
where:
bonds (distance) C4'-P energy: -103.116
bonds (distance) P-C4' energy: -117.176
flat angles C4'-P-C4' energy: -98.711
flat angles P-C4'-P energy: -67.827
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: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -883.854477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.854477 (E_RNA)
where:
Base-Base interactions energy: -484.590
where: short stacking energy: -231.788
Base-Backbone interact. energy: 2.499
local terms energy: -401.762853
where:
bonds (distance) C4'-P energy: -106.889
bonds (distance) P-C4' energy: -116.233
flat angles C4'-P-C4' energy: -99.751
flat angles P-C4'-P energy: -54.057
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -484.611978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.611978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.611978 (E_RNA)
where:
Base-Base interactions energy: -164.136
where: short stacking energy: -132.286
Base-Backbone interact. energy: 0.840
local terms energy: -321.315562
where:
bonds (distance) C4'-P energy: -82.510
bonds (distance) P-C4' energy: -104.491
flat angles C4'-P-C4' energy: -93.600
flat angles P-C4'-P energy: -58.266
tors. eta vs tors. theta energy: 17.552
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: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2187.369000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.369000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.369000 (E_RNA)
where:
Base-Base interactions energy: -1491.611
where: short stacking energy: -650.270
Base-Backbone interact. energy: -1.662
local terms energy: -694.096162
where:
bonds (distance) C4'-P energy: -123.647
bonds (distance) P-C4' energy: -131.303
flat angles C4'-P-C4' energy: -147.547
flat angles P-C4'-P energy: -98.893
tors. eta vs tors. theta energy: -192.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2108.394989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.394989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.394989 (E_RNA)
where:
Base-Base interactions energy: -1419.058
where: short stacking energy: -649.492
Base-Backbone interact. energy: -2.700
local terms energy: -686.637313
where:
bonds (distance) C4'-P energy: -134.045
bonds (distance) P-C4' energy: -123.710
flat angles C4'-P-C4' energy: -141.672
flat angles P-C4'-P energy: -82.519
tors. eta vs tors. theta energy: -204.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2019.014424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.014424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.014424 (E_RNA)
where:
Base-Base interactions energy: -1370.360
where: short stacking energy: -577.895
Base-Backbone interact. energy: -5.238
local terms energy: -643.416984
where:
bonds (distance) C4'-P energy: -121.331
bonds (distance) P-C4' energy: -118.081
flat angles C4'-P-C4' energy: -137.408
flat angles P-C4'-P energy: -99.911
tors. eta vs tors. theta energy: -166.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1923.026165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.026165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.026165 (E_RNA)
where:
Base-Base interactions energy: -1321.946
where: short stacking energy: -507.247
Base-Backbone interact. energy: -5.979
local terms energy: -595.101834
where:
bonds (distance) C4'-P energy: -112.666
bonds (distance) P-C4' energy: -122.925
flat angles C4'-P-C4' energy: -134.571
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -143.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1881.111267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.111267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.111267 (E_RNA)
where:
Base-Base interactions energy: -1267.840
where: short stacking energy: -573.106
Base-Backbone interact. energy: -3.003
local terms energy: -610.268989
where:
bonds (distance) C4'-P energy: -95.673
bonds (distance) P-C4' energy: -106.940
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -96.419
tors. eta vs tors. theta energy: -170.950
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: 478
Temperature: 1.150000
Total energy: -1617.811425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.811425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.811425 (E_RNA)
where:
Base-Base interactions energy: -1085.821
where: short stacking energy: -487.195
Base-Backbone interact. energy: -1.488
local terms energy: -530.502371
where:
bonds (distance) C4'-P energy: -97.780
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -131.480
flat angles P-C4'-P energy: -69.278
tors. eta vs tors. theta energy: -122.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1354.621413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.621413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.621413 (E_RNA)
where:
Base-Base interactions energy: -833.524
where: short stacking energy: -387.524
Base-Backbone interact. energy: -2.212
local terms energy: -518.885166
where:
bonds (distance) C4'-P energy: -118.507
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -121.943
flat angles P-C4'-P energy: -82.031
tors. eta vs tors. theta energy: -92.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1068.717156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.717156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.717156 (E_RNA)
where:
Base-Base interactions energy: -683.019
where: short stacking energy: -314.169
Base-Backbone interact. energy: 8.862
local terms energy: -394.561005
where:
bonds (distance) C4'-P energy: -101.756
bonds (distance) P-C4' energy: -102.318
flat angles C4'-P-C4' energy: -104.636
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -30.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -951.911778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.911778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.911778 (E_RNA)
where:
Base-Base interactions energy: -554.328
where: short stacking energy: -290.457
Base-Backbone interact. energy: 2.076
local terms energy: -399.660477
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -106.687
flat angles C4'-P-C4' energy: -88.914
flat angles P-C4'-P energy: -56.577
tors. eta vs tors. theta energy: -37.246
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: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -531.326607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.326607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.326607 (E_RNA)
where:
Base-Base interactions energy: -212.831
where: short stacking energy: -141.620
Base-Backbone interact. energy: -1.049
local terms energy: -317.446282
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -86.773
flat angles C4'-P-C4' energy: -73.101
flat angles P-C4'-P energy: -72.517
tors. eta vs tors. theta energy: 16.222
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: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2193.582918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.582918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.582918 (E_RNA)
where:
Base-Base interactions energy: -1510.552
where: short stacking energy: -639.027
Base-Backbone interact. energy: -4.433
local terms energy: -678.598232
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -126.411
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -101.270
tors. eta vs tors. theta energy: -182.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2132.615076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.615076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.615076 (E_RNA)
where:
Base-Base interactions energy: -1454.493
where: short stacking energy: -645.886
Base-Backbone interact. energy: -3.708
local terms energy: -674.414789
where:
bonds (distance) C4'-P energy: -108.466
bonds (distance) P-C4' energy: -128.345
flat angles C4'-P-C4' energy: -138.223
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -207.698
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2015.145412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.145412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.145412 (E_RNA)
where:
Base-Base interactions energy: -1387.321
where: short stacking energy: -575.425
Base-Backbone interact. energy: -0.717
local terms energy: -627.107714
where:
bonds (distance) C4'-P energy: -122.159
bonds (distance) P-C4' energy: -114.999
flat angles C4'-P-C4' energy: -134.110
flat angles P-C4'-P energy: -82.210
tors. eta vs tors. theta energy: -173.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1902.708450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.708450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.708450 (E_RNA)
where:
Base-Base interactions energy: -1310.547
where: short stacking energy: -555.370
Base-Backbone interact. energy: -0.285
local terms energy: -591.876524
where:
bonds (distance) C4'-P energy: -117.672
bonds (distance) P-C4' energy: -110.478
flat angles C4'-P-C4' energy: -122.047
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -153.965
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: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1923.023486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.023486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.023486 (E_RNA)
where:
Base-Base interactions energy: -1303.161
where: short stacking energy: -577.887
Base-Backbone interact. energy: -0.140
local terms energy: -619.722592
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -108.162
flat angles C4'-P-C4' energy: -132.122
flat angles P-C4'-P energy: -87.059
tors. eta vs tors. theta energy: -179.942
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: 479
Temperature: 1.150000
Total energy: -1585.327080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.327080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.327080 (E_RNA)
where:
Base-Base interactions energy: -1024.877
where: short stacking energy: -462.947
Base-Backbone interact. energy: 2.497
local terms energy: -562.946954
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -99.645
flat angles C4'-P-C4' energy: -138.184
flat angles P-C4'-P energy: -83.284
tors. eta vs tors. theta energy: -136.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1422.949074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.949074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.949074 (E_RNA)
where:
Base-Base interactions energy: -904.361
where: short stacking energy: -407.425
Base-Backbone interact. energy: -1.011
local terms energy: -517.576700
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -116.251
flat angles C4'-P-C4' energy: -106.771
flat angles P-C4'-P energy: -79.264
tors. eta vs tors. theta energy: -103.373
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: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1043.728089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.728089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.728089 (E_RNA)
where:
Base-Base interactions energy: -632.532
where: short stacking energy: -295.312
Base-Backbone interact. energy: -3.585
local terms energy: -407.610160
where:
bonds (distance) C4'-P energy: -82.527
bonds (distance) P-C4' energy: -109.991
flat angles C4'-P-C4' energy: -84.408
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -45.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -942.472359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.472359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.472359 (E_RNA)
where:
Base-Base interactions energy: -555.475
where: short stacking energy: -269.352
Base-Backbone interact. energy: -1.668
local terms energy: -385.329782
where:
bonds (distance) C4'-P energy: -101.363
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -94.135
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -24.535
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -523.020223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.020223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.020223 (E_RNA)
where:
Base-Base interactions energy: -185.420
where: short stacking energy: -126.334
Base-Backbone interact. energy: 1.710
local terms energy: -339.310024
where:
bonds (distance) C4'-P energy: -96.394
bonds (distance) P-C4' energy: -115.789
flat angles C4'-P-C4' energy: -81.623
flat angles P-C4'-P energy: -53.304
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: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2215.315372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.315372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.315372 (E_RNA)
where:
Base-Base interactions energy: -1515.795
where: short stacking energy: -651.394
Base-Backbone interact. energy: -2.599
local terms energy: -696.921328
where:
bonds (distance) C4'-P energy: -129.444
bonds (distance) P-C4' energy: -128.734
flat angles C4'-P-C4' energy: -143.993
flat angles P-C4'-P energy: -102.836
tors. eta vs tors. theta energy: -191.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2113.191237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.191237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.191237 (E_RNA)
where:
Base-Base interactions energy: -1428.637
where: short stacking energy: -628.281
Base-Backbone interact. energy: -4.738
local terms energy: -679.816159
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -135.900
flat angles C4'-P-C4' energy: -145.946
flat angles P-C4'-P energy: -92.930
tors. eta vs tors. theta energy: -190.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1998.393881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.393881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.393881 (E_RNA)
where:
Base-Base interactions energy: -1382.740
where: short stacking energy: -563.116
Base-Backbone interact. energy: -0.865
local terms energy: -614.789624
where:
bonds (distance) C4'-P energy: -115.657
bonds (distance) P-C4' energy: -128.697
flat angles C4'-P-C4' energy: -129.980
flat angles P-C4'-P energy: -76.676
tors. eta vs tors. theta energy: -163.779
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: 480
Temperature: 1.050000
Total energy: -1923.524344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.524344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.524344 (E_RNA)
where:
Base-Base interactions energy: -1316.695
where: short stacking energy: -555.836
Base-Backbone interact. energy: -6.957
local terms energy: -599.872051
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -125.953
flat angles C4'-P-C4' energy: -129.995
flat angles P-C4'-P energy: -87.882
tors. eta vs tors. theta energy: -143.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1905.229988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.229988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.229988 (E_RNA)
where:
Base-Base interactions energy: -1277.581
where: short stacking energy: -562.611
Base-Backbone interact. energy: -0.362
local terms energy: -627.286900
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -118.199
flat angles C4'-P-C4' energy: -134.060
flat angles P-C4'-P energy: -88.322
tors. eta vs tors. theta energy: -180.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1704.739706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.739706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.739706 (E_RNA)
where:
Base-Base interactions energy: -1166.391
where: short stacking energy: -489.865
Base-Backbone interact. energy: -0.684
local terms energy: -537.665471
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -88.000
flat angles C4'-P-C4' energy: -111.999
flat angles P-C4'-P energy: -88.918
tors. eta vs tors. theta energy: -149.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1424.088303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.088303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.088303 (E_RNA)
where:
Base-Base interactions energy: -893.927
where: short stacking energy: -449.560
Base-Backbone interact. energy: 2.299
local terms energy: -532.460436
where:
bonds (distance) C4'-P energy: -108.817
bonds (distance) P-C4' energy: -109.202
flat angles C4'-P-C4' energy: -118.503
flat angles P-C4'-P energy: -74.382
tors. eta vs tors. theta energy: -121.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1013.541158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.541158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.541158 (E_RNA)
where:
Base-Base interactions energy: -603.291
where: short stacking energy: -288.770
Base-Backbone interact. energy: 1.026
local terms energy: -411.276805
where:
bonds (distance) C4'-P energy: -108.118
bonds (distance) P-C4' energy: -104.226
flat angles C4'-P-C4' energy: -92.357
flat angles P-C4'-P energy: -63.211
tors. eta vs tors. theta energy: -43.365
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: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -932.771727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.771727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.771727 (E_RNA)
where:
Base-Base interactions energy: -572.188
where: short stacking energy: -288.305
Base-Backbone interact. energy: -0.259
local terms energy: -360.324930
where:
bonds (distance) C4'-P energy: -99.591
bonds (distance) P-C4' energy: -82.935
flat angles C4'-P-C4' energy: -99.955
flat angles P-C4'-P energy: -56.414
tors. eta vs tors. theta energy: -21.430
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: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -518.349569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.349569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.349569 (E_RNA)
where:
Base-Base interactions energy: -200.364
where: short stacking energy: -183.069
Base-Backbone interact. energy: -1.200
local terms energy: -316.785993
where:
bonds (distance) C4'-P energy: -102.846
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -41.739
tors. eta vs tors. theta energy: 30.772
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: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2212.802257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.802257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.802257 (E_RNA)
where:
Base-Base interactions energy: -1528.035
where: short stacking energy: -641.122
Base-Backbone interact. energy: -3.527
local terms energy: -681.240194
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -125.808
flat angles C4'-P-C4' energy: -148.974
flat angles P-C4'-P energy: -99.014
tors. eta vs tors. theta energy: -188.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2114.094773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.094773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.094773 (E_RNA)
where:
Base-Base interactions energy: -1442.178
where: short stacking energy: -625.009
Base-Backbone interact. energy: -2.535
local terms energy: -669.381380
where:
bonds (distance) C4'-P energy: -114.819
bonds (distance) P-C4' energy: -117.561
flat angles C4'-P-C4' energy: -146.435
flat angles P-C4'-P energy: -91.968
tors. eta vs tors. theta energy: -198.598
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: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2008.843025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.843025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.843025 (E_RNA)
where:
Base-Base interactions energy: -1429.323
where: short stacking energy: -579.422
Base-Backbone interact. energy: -2.702
local terms energy: -576.817918
where:
bonds (distance) C4'-P energy: -105.800
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -122.769
flat angles P-C4'-P energy: -68.933
tors. eta vs tors. theta energy: -160.388
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1855.693694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.693694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.693694 (E_RNA)
where:
Base-Base interactions energy: -1253.827
where: short stacking energy: -526.590
Base-Backbone interact. energy: -3.278
local terms energy: -598.589187
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -120.388
flat angles C4'-P-C4' energy: -135.536
flat angles P-C4'-P energy: -101.494
tors. eta vs tors. theta energy: -133.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1871.950145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.950145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.950145 (E_RNA)
where:
Base-Base interactions energy: -1257.845
where: short stacking energy: -559.787
Base-Backbone interact. energy: -0.473
local terms energy: -613.632432
where:
bonds (distance) C4'-P energy: -109.301
bonds (distance) P-C4' energy: -111.817
flat angles C4'-P-C4' energy: -133.323
flat angles P-C4'-P energy: -87.420
tors. eta vs tors. theta energy: -171.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1717.403418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.403418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.403418 (E_RNA)
where:
Base-Base interactions energy: -1144.529
where: short stacking energy: -505.405
Base-Backbone interact. energy: -1.902
local terms energy: -570.972246
where:
bonds (distance) C4'-P energy: -94.708
bonds (distance) P-C4' energy: -124.086
flat angles C4'-P-C4' energy: -118.878
flat angles P-C4'-P energy: -82.598
tors. eta vs tors. theta energy: -150.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1452.449931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.449931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.449931 (E_RNA)
where:
Base-Base interactions energy: -930.309
where: short stacking energy: -425.443
Base-Backbone interact. energy: -1.638
local terms energy: -520.503529
where:
bonds (distance) C4'-P energy: -108.191
bonds (distance) P-C4' energy: -117.554
flat angles C4'-P-C4' energy: -118.383
flat angles P-C4'-P energy: -64.335
tors. eta vs tors. theta energy: -112.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1049.725944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.725944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.725944 (E_RNA)
where:
Base-Base interactions energy: -600.556
where: short stacking energy: -274.203
Base-Backbone interact. energy: 1.614
local terms energy: -450.784158
where:
bonds (distance) C4'-P energy: -117.023
bonds (distance) P-C4' energy: -114.355
flat angles C4'-P-C4' energy: -95.624
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -40.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -891.919799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.919799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.919799 (E_RNA)
where:
Base-Base interactions energy: -491.100
where: short stacking energy: -233.402
Base-Backbone interact. energy: -2.171
local terms energy: -398.649563
where:
bonds (distance) C4'-P energy: -91.030
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -101.945
flat angles P-C4'-P energy: -72.996
tors. eta vs tors. theta energy: -28.588
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: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -487.778641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.778641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.778641 (E_RNA)
where:
Base-Base interactions energy: -202.754
where: short stacking energy: -159.194
Base-Backbone interact. energy: -3.856
local terms energy: -281.168444
where:
bonds (distance) C4'-P energy: -93.851
bonds (distance) P-C4' energy: -100.253
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: 23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2202.769988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.769988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.769988 (E_RNA)
where:
Base-Base interactions energy: -1513.405
where: short stacking energy: -641.924
Base-Backbone interact. energy: -5.084
local terms energy: -684.280421
where:
bonds (distance) C4'-P energy: -125.095
bonds (distance) P-C4' energy: -130.540
flat angles C4'-P-C4' energy: -151.375
flat angles P-C4'-P energy: -94.854
tors. eta vs tors. theta energy: -182.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2107.715328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.715328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.715328 (E_RNA)
where:
Base-Base interactions energy: -1429.570
where: short stacking energy: -622.308
Base-Backbone interact. energy: -2.552
local terms energy: -675.593763
where:
bonds (distance) C4'-P energy: -129.261
bonds (distance) P-C4' energy: -130.232
flat angles C4'-P-C4' energy: -145.263
flat angles P-C4'-P energy: -79.945
tors. eta vs tors. theta energy: -190.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2007.147028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.147028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.147028 (E_RNA)
where:
Base-Base interactions energy: -1394.488
where: short stacking energy: -579.520
Base-Backbone interact. energy: 0.480
local terms energy: -613.138509
where:
bonds (distance) C4'-P energy: -104.917
bonds (distance) P-C4' energy: -121.240
flat angles C4'-P-C4' energy: -140.136
flat angles P-C4'-P energy: -87.432
tors. eta vs tors. theta energy: -159.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1879.074957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.074957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.074957 (E_RNA)
where:
Base-Base interactions energy: -1298.338
where: short stacking energy: -555.929
Base-Backbone interact. energy: 1.579
local terms energy: -582.315670
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -114.914
flat angles C4'-P-C4' energy: -137.384
flat angles P-C4'-P energy: -79.379
tors. eta vs tors. theta energy: -144.928
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: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1854.633245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.633245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.633245 (E_RNA)
where:
Base-Base interactions energy: -1242.507
where: short stacking energy: -550.138
Base-Backbone interact. energy: -0.947
local terms energy: -611.179125
where:
bonds (distance) C4'-P energy: -116.789
bonds (distance) P-C4' energy: -104.253
flat angles C4'-P-C4' energy: -124.099
flat angles P-C4'-P energy: -96.241
tors. eta vs tors. theta energy: -169.797
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: 482
Temperature: 1.150000
Total energy: -1673.279726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.279726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.279726 (E_RNA)
where:
Base-Base interactions energy: -1142.012
where: short stacking energy: -474.369
Base-Backbone interact. energy: -3.329
local terms energy: -527.938896
where:
bonds (distance) C4'-P energy: -106.124
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -127.333
flat angles P-C4'-P energy: -81.384
tors. eta vs tors. theta energy: -121.947
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: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1405.197020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.197020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.197020 (E_RNA)
where:
Base-Base interactions energy: -910.357
where: short stacking energy: -409.692
Base-Backbone interact. energy: -0.480
local terms energy: -494.359783
where:
bonds (distance) C4'-P energy: -96.119
bonds (distance) P-C4' energy: -106.576
flat angles C4'-P-C4' energy: -110.587
flat angles P-C4'-P energy: -82.553
tors. eta vs tors. theta energy: -98.526
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: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1052.983136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.983136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.983136 (E_RNA)
where:
Base-Base interactions energy: -627.089
where: short stacking energy: -301.497
Base-Backbone interact. energy: -1.060
local terms energy: -424.834230
where:
bonds (distance) C4'-P energy: -108.236
bonds (distance) P-C4' energy: -97.150
flat angles C4'-P-C4' energy: -110.476
flat angles P-C4'-P energy: -66.262
tors. eta vs tors. theta energy: -42.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -863.317446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.317446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.317446 (E_RNA)
where:
Base-Base interactions energy: -494.292
where: short stacking energy: -261.854
Base-Backbone interact. energy: -1.173
local terms energy: -367.852284
where:
bonds (distance) C4'-P energy: -98.022
bonds (distance) P-C4' energy: -107.903
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -59.500
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -521.983991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.983991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.983991 (E_RNA)
where:
Base-Base interactions energy: -185.594
where: short stacking energy: -147.587
Base-Backbone interact. energy: -1.078
local terms energy: -335.311765
where:
bonds (distance) C4'-P energy: -100.003
bonds (distance) P-C4' energy: -103.306
flat angles C4'-P-C4' energy: -93.199
flat angles P-C4'-P energy: -41.818
tors. eta vs tors. theta energy: 3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2196.024633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.024633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.024633 (E_RNA)
where:
Base-Base interactions energy: -1500.602
where: short stacking energy: -646.785
Base-Backbone interact. energy: -3.565
local terms energy: -691.857646
where:
bonds (distance) C4'-P energy: -131.965
bonds (distance) P-C4' energy: -132.132
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: -194.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2110.977288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.977288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.977288 (E_RNA)
where:
Base-Base interactions energy: -1432.656
where: short stacking energy: -634.878
Base-Backbone interact. energy: -2.389
local terms energy: -675.932148
where:
bonds (distance) C4'-P energy: -112.010
bonds (distance) P-C4' energy: -127.987
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -197.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2015.329714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.329714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.329714 (E_RNA)
where:
Base-Base interactions energy: -1402.055
where: short stacking energy: -569.437
Base-Backbone interact. energy: 2.887
local terms energy: -616.161256
where:
bonds (distance) C4'-P energy: -110.569
bonds (distance) P-C4' energy: -119.190
flat angles C4'-P-C4' energy: -135.798
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -164.103
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1916.923526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.923526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.923526 (E_RNA)
where:
Base-Base interactions energy: -1288.213
where: short stacking energy: -571.857
Base-Backbone interact. energy: -1.474
local terms energy: -627.236230
where:
bonds (distance) C4'-P energy: -105.935
bonds (distance) P-C4' energy: -125.305
flat angles C4'-P-C4' energy: -139.477
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -177.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1811.453198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.453198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.453198 (E_RNA)
where:
Base-Base interactions energy: -1256.005
where: short stacking energy: -496.580
Base-Backbone interact. energy: 4.723
local terms energy: -560.171516
where:
bonds (distance) C4'-P energy: -104.421
bonds (distance) P-C4' energy: -102.511
flat angles C4'-P-C4' energy: -120.587
flat angles P-C4'-P energy: -86.033
tors. eta vs tors. theta energy: -146.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1717.482345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.482345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.482345 (E_RNA)
where:
Base-Base interactions energy: -1147.131
where: short stacking energy: -516.659
Base-Backbone interact. energy: -1.306
local terms energy: -569.045754
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -105.162
flat angles C4'-P-C4' energy: -135.340
flat angles P-C4'-P energy: -81.209
tors. eta vs tors. theta energy: -138.244
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: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1449.861839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.861839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.861839 (E_RNA)
where:
Base-Base interactions energy: -966.538
where: short stacking energy: -445.159
Base-Backbone interact. energy: 3.732
local terms energy: -487.055752
where:
bonds (distance) C4'-P energy: -100.326
bonds (distance) P-C4' energy: -110.725
flat angles C4'-P-C4' energy: -99.241
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -107.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1016.715088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.715088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.715088 (E_RNA)
where:
Base-Base interactions energy: -619.137
where: short stacking energy: -328.819
Base-Backbone interact. energy: 6.114
local terms energy: -403.692693
where:
bonds (distance) C4'-P energy: -95.511
bonds (distance) P-C4' energy: -108.943
flat angles C4'-P-C4' energy: -100.643
flat angles P-C4'-P energy: -64.475
tors. eta vs tors. theta energy: -34.121
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: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -882.113892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.113892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.113892 (E_RNA)
where:
Base-Base interactions energy: -512.563
where: short stacking energy: -250.157
Base-Backbone interact. energy: -0.007
local terms energy: -369.544462
where:
bonds (distance) C4'-P energy: -83.624
bonds (distance) P-C4' energy: -100.308
flat angles C4'-P-C4' energy: -94.831
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -28.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -541.517663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.517663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.517663 (E_RNA)
where:
Base-Base interactions energy: -225.220
where: short stacking energy: -170.170
Base-Backbone interact. energy: 2.004
local terms energy: -318.301604
where:
bonds (distance) C4'-P energy: -90.466
bonds (distance) P-C4' energy: -111.422
flat angles C4'-P-C4' energy: -75.255
flat angles P-C4'-P energy: -56.959
tors. eta vs tors. theta energy: 15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2193.368641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.368641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.368641 (E_RNA)
where:
Base-Base interactions energy: -1497.199
where: short stacking energy: -674.783
Base-Backbone interact. energy: -4.836
local terms energy: -691.332932
where:
bonds (distance) C4'-P energy: -132.249
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -128.813
flat angles P-C4'-P energy: -108.134
tors. eta vs tors. theta energy: -186.653
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: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2124.230167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.230167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.230167 (E_RNA)
where:
Base-Base interactions energy: -1448.716
where: short stacking energy: -657.697
Base-Backbone interact. energy: -0.578
local terms energy: -674.935907
where:
bonds (distance) C4'-P energy: -111.442
bonds (distance) P-C4' energy: -121.128
flat angles C4'-P-C4' energy: -143.095
flat angles P-C4'-P energy: -103.902
tors. eta vs tors. theta energy: -195.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2008.972396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.972396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.972396 (E_RNA)
where:
Base-Base interactions energy: -1401.888
where: short stacking energy: -575.994
Base-Backbone interact. energy: -1.525
local terms energy: -605.559274
where:
bonds (distance) C4'-P energy: -132.122
bonds (distance) P-C4' energy: -120.253
flat angles C4'-P-C4' energy: -124.616
flat angles P-C4'-P energy: -80.922
tors. eta vs tors. theta energy: -147.646
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: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1900.705016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.705016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.705016 (E_RNA)
where:
Base-Base interactions energy: -1270.694
where: short stacking energy: -576.447
Base-Backbone interact. energy: -0.741
local terms energy: -629.270118
where:
bonds (distance) C4'-P energy: -112.088
bonds (distance) P-C4' energy: -119.809
flat angles C4'-P-C4' energy: -135.651
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -183.088
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1811.560171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.560171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.560171 (E_RNA)
where:
Base-Base interactions energy: -1251.882
where: short stacking energy: -517.365
Base-Backbone interact. energy: -6.229
local terms energy: -553.449810
where:
bonds (distance) C4'-P energy: -109.081
bonds (distance) P-C4' energy: -115.461
flat angles C4'-P-C4' energy: -118.054
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -148.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1715.189643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.189643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.189643 (E_RNA)
where:
Base-Base interactions energy: -1127.740
where: short stacking energy: -485.269
Base-Backbone interact. energy: -1.938
local terms energy: -585.511883
where:
bonds (distance) C4'-P energy: -108.123
bonds (distance) P-C4' energy: -112.688
flat angles C4'-P-C4' energy: -120.141
flat angles P-C4'-P energy: -98.258
tors. eta vs tors. theta energy: -146.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1440.907549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.907549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.907549 (E_RNA)
where:
Base-Base interactions energy: -944.701
where: short stacking energy: -418.469
Base-Backbone interact. energy: -2.599
local terms energy: -493.607515
where:
bonds (distance) C4'-P energy: -102.541
bonds (distance) P-C4' energy: -100.853
flat angles C4'-P-C4' energy: -119.706
flat angles P-C4'-P energy: -72.461
tors. eta vs tors. theta energy: -98.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1019.482522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.482522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.482522 (E_RNA)
where:
Base-Base interactions energy: -595.879
where: short stacking energy: -294.409
Base-Backbone interact. energy: -0.061
local terms energy: -423.542613
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -103.133
flat angles C4'-P-C4' energy: -104.208
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -917.159982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.159982 (E_RNA)
where:
Base-Base interactions energy: -541.075
where: short stacking energy: -251.782
Base-Backbone interact. energy: 1.152
local terms energy: -377.236209
where:
bonds (distance) C4'-P energy: -87.241
bonds (distance) P-C4' energy: -115.038
flat angles C4'-P-C4' energy: -85.511
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -36.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -547.468992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.468992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.468992 (E_RNA)
where:
Base-Base interactions energy: -230.028
where: short stacking energy: -148.997
Base-Backbone interact. energy: -0.925
local terms energy: -316.516003
where:
bonds (distance) C4'-P energy: -95.372
bonds (distance) P-C4' energy: -111.169
flat angles C4'-P-C4' energy: -94.537
flat angles P-C4'-P energy: -55.068
tors. eta vs tors. theta energy: 39.630
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: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2155.273953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.273953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.273953 (E_RNA)
where:
Base-Base interactions energy: -1501.834
where: short stacking energy: -631.670
Base-Backbone interact. energy: -3.999
local terms energy: -649.440124
where:
bonds (distance) C4'-P energy: -114.069
bonds (distance) P-C4' energy: -127.776
flat angles C4'-P-C4' energy: -130.632
flat angles P-C4'-P energy: -95.298
tors. eta vs tors. theta energy: -181.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2142.990719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.990719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.990719 (E_RNA)
where:
Base-Base interactions energy: -1432.314
where: short stacking energy: -655.609
Base-Backbone interact. energy: 0.545
local terms energy: -711.221862
where:
bonds (distance) C4'-P energy: -122.251
bonds (distance) P-C4' energy: -133.665
flat angles C4'-P-C4' energy: -143.313
flat angles P-C4'-P energy: -111.017
tors. eta vs tors. theta energy: -200.975
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: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2020.381506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.381506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.381506 (E_RNA)
where:
Base-Base interactions energy: -1380.140
where: short stacking energy: -559.964
Base-Backbone interact. energy: -7.023
local terms energy: -633.218933
where:
bonds (distance) C4'-P energy: -117.591
bonds (distance) P-C4' energy: -126.110
flat angles C4'-P-C4' energy: -146.753
flat angles P-C4'-P energy: -79.462
tors. eta vs tors. theta energy: -163.303
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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1916.341311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.341311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.341311 (E_RNA)
where:
Base-Base interactions energy: -1292.300
where: short stacking energy: -538.032
Base-Backbone interact. energy: -2.119
local terms energy: -621.921836
where:
bonds (distance) C4'-P energy: -120.912
bonds (distance) P-C4' energy: -122.966
flat angles C4'-P-C4' energy: -133.023
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -157.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1826.463732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.463732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.463732 (E_RNA)
where:
Base-Base interactions energy: -1248.094
where: short stacking energy: -519.862
Base-Backbone interact. energy: -1.192
local terms energy: -577.177374
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -112.035
flat angles C4'-P-C4' energy: -130.444
flat angles P-C4'-P energy: -87.622
tors. eta vs tors. theta energy: -134.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1694.001521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.001521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.001521 (E_RNA)
where:
Base-Base interactions energy: -1116.783
where: short stacking energy: -496.286
Base-Backbone interact. energy: 0.954
local terms energy: -578.172154
where:
bonds (distance) C4'-P energy: -125.462
bonds (distance) P-C4' energy: -103.573
flat angles C4'-P-C4' energy: -112.516
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -147.182
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: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1458.088472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.088472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.088472 (E_RNA)
where:
Base-Base interactions energy: -956.192
where: short stacking energy: -438.985
Base-Backbone interact. energy: -1.752
local terms energy: -500.144222
where:
bonds (distance) C4'-P energy: -87.835
bonds (distance) P-C4' energy: -107.439
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -73.777
tors. eta vs tors. theta energy: -112.275
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: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1047.076509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.076509 (E_RNA)
where:
Base-Base interactions energy: -604.610
where: short stacking energy: -318.243
Base-Backbone interact. energy: -2.568
local terms energy: -439.898913
where:
bonds (distance) C4'-P energy: -103.158
bonds (distance) P-C4' energy: -120.457
flat angles C4'-P-C4' energy: -106.694
flat angles P-C4'-P energy: -50.259
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: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -868.944399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.944399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.944399 (E_RNA)
where:
Base-Base interactions energy: -482.558
where: short stacking energy: -267.468
Base-Backbone interact. energy: -3.448
local terms energy: -382.938135
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -101.766
flat angles P-C4'-P energy: -59.414
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -549.647214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.647214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.647214 (E_RNA)
where:
Base-Base interactions energy: -222.168
where: short stacking energy: -147.655
Base-Backbone interact. energy: -2.168
local terms energy: -325.311998
where:
bonds (distance) C4'-P energy: -96.263
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -94.808
flat angles P-C4'-P energy: -41.672
tors. eta vs tors. theta energy: 9.536
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: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2202.516146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.516146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.516146 (E_RNA)
where:
Base-Base interactions energy: -1497.770
where: short stacking energy: -622.783
Base-Backbone interact. energy: -4.496
local terms energy: -700.249920
where:
bonds (distance) C4'-P energy: -136.736
bonds (distance) P-C4' energy: -132.701
flat angles C4'-P-C4' energy: -141.863
flat angles P-C4'-P energy: -100.588
tors. eta vs tors. theta energy: -188.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2116.711783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.711783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.711783 (E_RNA)
where:
Base-Base interactions energy: -1406.042
where: short stacking energy: -639.415
Base-Backbone interact. energy: -1.993
local terms energy: -708.677121
where:
bonds (distance) C4'-P energy: -129.705
bonds (distance) P-C4' energy: -137.375
flat angles C4'-P-C4' energy: -145.958
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -198.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1990.787127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.787127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.787127 (E_RNA)
where:
Base-Base interactions energy: -1382.136
where: short stacking energy: -565.282
Base-Backbone interact. energy: -5.053
local terms energy: -603.597958
where:
bonds (distance) C4'-P energy: -126.544
bonds (distance) P-C4' energy: -108.931
flat angles C4'-P-C4' energy: -136.180
flat angles P-C4'-P energy: -80.944
tors. eta vs tors. theta energy: -150.999
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: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1908.391838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.391838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.391838 (E_RNA)
where:
Base-Base interactions energy: -1269.847
where: short stacking energy: -583.969
Base-Backbone interact. energy: -2.177
local terms energy: -636.368149
where:
bonds (distance) C4'-P energy: -116.354
bonds (distance) P-C4' energy: -119.246
flat angles C4'-P-C4' energy: -137.567
flat angles P-C4'-P energy: -80.702
tors. eta vs tors. theta energy: -182.499
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: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1827.794461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.794461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.794461 (E_RNA)
where:
Base-Base interactions energy: -1267.192
where: short stacking energy: -523.606
Base-Backbone interact. energy: -1.007
local terms energy: -559.595763
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -108.022
flat angles C4'-P-C4' energy: -120.398
flat angles P-C4'-P energy: -86.347
tors. eta vs tors. theta energy: -127.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1690.002448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.002448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.002448 (E_RNA)
where:
Base-Base interactions energy: -1147.696
where: short stacking energy: -517.703
Base-Backbone interact. energy: 1.017
local terms energy: -543.323394
where:
bonds (distance) C4'-P energy: -108.029
bonds (distance) P-C4' energy: -112.733
flat angles C4'-P-C4' energy: -122.788
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -132.121
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: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1381.015266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.015266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.015266 (E_RNA)
where:
Base-Base interactions energy: -879.225
where: short stacking energy: -393.169
Base-Backbone interact. energy: -1.741
local terms energy: -500.049057
where:
bonds (distance) C4'-P energy: -105.261
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -117.460
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -92.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1035.041609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.041609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.041609 (E_RNA)
where:
Base-Base interactions energy: -641.204
where: short stacking energy: -298.854
Base-Backbone interact. energy: 4.940
local terms energy: -398.778181
where:
bonds (distance) C4'-P energy: -89.851
bonds (distance) P-C4' energy: -113.477
flat angles C4'-P-C4' energy: -97.491
flat angles P-C4'-P energy: -55.850
tors. eta vs tors. theta energy: -42.109
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: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -825.912224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.912224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.912224 (E_RNA)
where:
Base-Base interactions energy: -431.034
where: short stacking energy: -237.701
Base-Backbone interact. energy: -1.352
local terms energy: -393.526760
where:
bonds (distance) C4'-P energy: -104.680
bonds (distance) P-C4' energy: -110.751
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: -12.223
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: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -491.558461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.558461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.558461 (E_RNA)
where:
Base-Base interactions energy: -198.288
where: short stacking energy: -120.719
Base-Backbone interact. energy: 4.935
local terms energy: -298.205813
where:
bonds (distance) C4'-P energy: -93.763
bonds (distance) P-C4' energy: -116.493
flat angles C4'-P-C4' energy: -87.030
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: 35.733
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: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2203.146215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.146215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.146215 (E_RNA)
where:
Base-Base interactions energy: -1521.826
where: short stacking energy: -660.864
Base-Backbone interact. energy: -1.647
local terms energy: -679.672930
where:
bonds (distance) C4'-P energy: -113.891
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -142.692
flat angles P-C4'-P energy: -99.435
tors. eta vs tors. theta energy: -199.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2156.402427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.402427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.402427 (E_RNA)
where:
Base-Base interactions energy: -1469.706
where: short stacking energy: -650.192
Base-Backbone interact. energy: -2.088
local terms energy: -684.609180
where:
bonds (distance) C4'-P energy: -115.254
bonds (distance) P-C4' energy: -118.408
flat angles C4'-P-C4' energy: -147.542
flat angles P-C4'-P energy: -107.170
tors. eta vs tors. theta energy: -196.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1964.093195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.093195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.093195 (E_RNA)
where:
Base-Base interactions energy: -1347.919
where: short stacking energy: -573.394
Base-Backbone interact. energy: -2.316
local terms energy: -613.858064
where:
bonds (distance) C4'-P energy: -121.333
bonds (distance) P-C4' energy: -113.330
flat angles C4'-P-C4' energy: -134.813
flat angles P-C4'-P energy: -84.817
tors. eta vs tors. theta energy: -159.565
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: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1941.759653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.759653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.759653 (E_RNA)
where:
Base-Base interactions energy: -1332.601
where: short stacking energy: -597.443
Base-Backbone interact. energy: -3.122
local terms energy: -606.036250
where:
bonds (distance) C4'-P energy: -107.029
bonds (distance) P-C4' energy: -110.536
flat angles C4'-P-C4' energy: -112.901
flat angles P-C4'-P energy: -96.111
tors. eta vs tors. theta energy: -179.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1797.530517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.530517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.530517 (E_RNA)
where:
Base-Base interactions energy: -1237.368
where: short stacking energy: -519.854
Base-Backbone interact. energy: -2.525
local terms energy: -557.637333
where:
bonds (distance) C4'-P energy: -111.797
bonds (distance) P-C4' energy: -110.625
flat angles C4'-P-C4' energy: -120.993
flat angles P-C4'-P energy: -79.530
tors. eta vs tors. theta energy: -134.692
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: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1685.174742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.174742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.174742 (E_RNA)
where:
Base-Base interactions energy: -1109.639
where: short stacking energy: -488.828
Base-Backbone interact. energy: -0.805
local terms energy: -574.730647
where:
bonds (distance) C4'-P energy: -105.328
bonds (distance) P-C4' energy: -113.943
flat angles C4'-P-C4' energy: -131.835
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -144.844
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1373.467923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.467923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.467923 (E_RNA)
where:
Base-Base interactions energy: -890.058
where: short stacking energy: -423.025
Base-Backbone interact. energy: -2.883
local terms energy: -480.526499
where:
bonds (distance) C4'-P energy: -85.445
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -110.930
flat angles P-C4'-P energy: -80.008
tors. eta vs tors. theta energy: -97.644
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: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1079.734908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.734908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.734908 (E_RNA)
where:
Base-Base interactions energy: -635.114
where: short stacking energy: -318.201
Base-Backbone interact. energy: -0.980
local terms energy: -443.640769
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -103.520
flat angles C4'-P-C4' energy: -108.863
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -55.320
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: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -824.886688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.886688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.886688 (E_RNA)
where:
Base-Base interactions energy: -466.208
where: short stacking energy: -261.402
Base-Backbone interact. energy: 6.313
local terms energy: -364.992204
where:
bonds (distance) C4'-P energy: -109.068
bonds (distance) P-C4' energy: -74.131
flat angles C4'-P-C4' energy: -100.847
flat angles P-C4'-P energy: -56.218
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -489.070530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.070530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.070530 (E_RNA)
where:
Base-Base interactions energy: -187.258
where: short stacking energy: -151.987
Base-Backbone interact. energy: -1.660
local terms energy: -300.152473
where:
bonds (distance) C4'-P energy: -99.404
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -85.824
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: 30.573
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: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2217.189450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.189450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.189450 (E_RNA)
where:
Base-Base interactions energy: -1524.099
where: short stacking energy: -648.408
Base-Backbone interact. energy: -1.431
local terms energy: -691.659492
where:
bonds (distance) C4'-P energy: -125.930
bonds (distance) P-C4' energy: -128.691
flat angles C4'-P-C4' energy: -152.336
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -185.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2143.715783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.715783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.715783 (E_RNA)
where:
Base-Base interactions energy: -1443.384
where: short stacking energy: -634.878
Base-Backbone interact. energy: 0.529
local terms energy: -700.860687
where:
bonds (distance) C4'-P energy: -125.694
bonds (distance) P-C4' energy: -127.588
flat angles C4'-P-C4' energy: -142.490
flat angles P-C4'-P energy: -98.663
tors. eta vs tors. theta energy: -206.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1975.893853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.893853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.893853 (E_RNA)
where:
Base-Base interactions energy: -1385.504
where: short stacking energy: -571.060
Base-Backbone interact. energy: -2.492
local terms energy: -587.898097
where:
bonds (distance) C4'-P energy: -97.641
bonds (distance) P-C4' energy: -112.284
flat angles C4'-P-C4' energy: -134.567
flat angles P-C4'-P energy: -88.128
tors. eta vs tors. theta energy: -155.278
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: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1917.714850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.714850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.714850 (E_RNA)
where:
Base-Base interactions energy: -1297.459
where: short stacking energy: -590.738
Base-Backbone interact. energy: 4.274
local terms energy: -624.529909
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -122.739
flat angles C4'-P-C4' energy: -138.206
flat angles P-C4'-P energy: -90.574
tors. eta vs tors. theta energy: -169.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1798.777984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.777984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.777984 (E_RNA)
where:
Base-Base interactions energy: -1213.254
where: short stacking energy: -527.852
Base-Backbone interact. energy: -1.705
local terms energy: -583.818410
where:
bonds (distance) C4'-P energy: -107.077
bonds (distance) P-C4' energy: -120.351
flat angles C4'-P-C4' energy: -133.469
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -147.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1646.088759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.088759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.088759 (E_RNA)
where:
Base-Base interactions energy: -1116.337
where: short stacking energy: -493.485
Base-Backbone interact. energy: -3.728
local terms energy: -526.024471
where:
bonds (distance) C4'-P energy: -85.800
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -114.666
flat angles P-C4'-P energy: -84.044
tors. eta vs tors. theta energy: -131.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1389.019303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.019303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.019303 (E_RNA)
where:
Base-Base interactions energy: -864.934
where: short stacking energy: -383.390
Base-Backbone interact. energy: -0.494
local terms energy: -523.591275
where:
bonds (distance) C4'-P energy: -112.959
bonds (distance) P-C4' energy: -106.899
flat angles C4'-P-C4' energy: -123.219
flat angles P-C4'-P energy: -85.524
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1061.384504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.384504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.384504 (E_RNA)
where:
Base-Base interactions energy: -648.710
where: short stacking energy: -307.362
Base-Backbone interact. energy: -0.722
local terms energy: -411.952323
where:
bonds (distance) C4'-P energy: -103.687
bonds (distance) P-C4' energy: -96.145
flat angles C4'-P-C4' energy: -99.312
flat angles P-C4'-P energy: -58.377
tors. eta vs tors. theta energy: -54.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -795.603817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.603817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.603817 (E_RNA)
where:
Base-Base interactions energy: -444.514
where: short stacking energy: -236.329
Base-Backbone interact. energy: -3.521
local terms energy: -347.569127
where:
bonds (distance) C4'-P energy: -89.805
bonds (distance) P-C4' energy: -102.458
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -552.986673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.986673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.986673 (E_RNA)
where:
Base-Base interactions energy: -223.535
where: short stacking energy: -154.396
Base-Backbone interact. energy: -0.746
local terms energy: -328.705731
where:
bonds (distance) C4'-P energy: -89.048
bonds (distance) P-C4' energy: -109.604
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -65.173
tors. eta vs tors. theta energy: 11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2186.258510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.258510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.258510 (E_RNA)
where:
Base-Base interactions energy: -1495.427
where: short stacking energy: -651.650
Base-Backbone interact. energy: -5.936
local terms energy: -684.895685
where:
bonds (distance) C4'-P energy: -115.807
bonds (distance) P-C4' energy: -114.632
flat angles C4'-P-C4' energy: -152.951
flat angles P-C4'-P energy: -102.419
tors. eta vs tors. theta energy: -199.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2135.542964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.542964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.542964 (E_RNA)
where:
Base-Base interactions energy: -1449.469
where: short stacking energy: -639.738
Base-Backbone interact. energy: -3.257
local terms energy: -682.816504
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -130.879
flat angles C4'-P-C4' energy: -144.139
flat angles P-C4'-P energy: -88.358
tors. eta vs tors. theta energy: -206.560
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: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1976.823519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.823519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.823519 (E_RNA)
where:
Base-Base interactions energy: -1355.316
where: short stacking energy: -566.978
Base-Backbone interact. energy: -3.891
local terms energy: -617.617111
where:
bonds (distance) C4'-P energy: -105.686
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -135.541
flat angles P-C4'-P energy: -98.229
tors. eta vs tors. theta energy: -170.529
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1922.451898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.451898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.451898 (E_RNA)
where:
Base-Base interactions energy: -1295.150
where: short stacking energy: -568.793
Base-Backbone interact. energy: 0.242
local terms energy: -627.543592
where:
bonds (distance) C4'-P energy: -113.990
bonds (distance) P-C4' energy: -131.449
flat angles C4'-P-C4' energy: -140.477
flat angles P-C4'-P energy: -83.807
tors. eta vs tors. theta energy: -157.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1826.512644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.512644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.512644 (E_RNA)
where:
Base-Base interactions energy: -1247.660
where: short stacking energy: -525.534
Base-Backbone interact. energy: -4.835
local terms energy: -574.017428
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -102.416
flat angles C4'-P-C4' energy: -118.202
flat angles P-C4'-P energy: -95.388
tors. eta vs tors. theta energy: -138.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1689.242376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.242376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.242376 (E_RNA)
where:
Base-Base interactions energy: -1145.631
where: short stacking energy: -494.964
Base-Backbone interact. energy: -0.022
local terms energy: -543.589935
where:
bonds (distance) C4'-P energy: -113.048
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -133.464
flat angles P-C4'-P energy: -87.440
tors. eta vs tors. theta energy: -121.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1403.412668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.412668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.412668 (E_RNA)
where:
Base-Base interactions energy: -904.473
where: short stacking energy: -426.466
Base-Backbone interact. energy: 2.852
local terms energy: -501.791711
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -110.788
flat angles C4'-P-C4' energy: -118.887
flat angles P-C4'-P energy: -70.171
tors. eta vs tors. theta energy: -106.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1057.432542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.432542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.432542 (E_RNA)
where:
Base-Base interactions energy: -624.071
where: short stacking energy: -290.284
Base-Backbone interact. energy: -0.091
local terms energy: -433.270254
where:
bonds (distance) C4'-P energy: -104.293
bonds (distance) P-C4' energy: -118.110
flat angles C4'-P-C4' energy: -87.904
flat angles P-C4'-P energy: -67.003
tors. eta vs tors. theta energy: -55.960
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: 489
Temperature: 1.300000
Total energy: -844.509685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.509685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.509685 (E_RNA)
where:
Base-Base interactions energy: -453.364
where: short stacking energy: -218.361
Base-Backbone interact. energy: -4.303
local terms energy: -386.842772
where:
bonds (distance) C4'-P energy: -97.449
bonds (distance) P-C4' energy: -108.485
flat angles C4'-P-C4' energy: -105.918
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -27.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -555.172173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.172173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.172173 (E_RNA)
where:
Base-Base interactions energy: -246.161
where: short stacking energy: -164.179
Base-Backbone interact. energy: -0.968
local terms energy: -308.042868
where:
bonds (distance) C4'-P energy: -78.547
bonds (distance) P-C4' energy: -104.224
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -73.144
tors. eta vs tors. theta energy: 15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2194.827364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.827364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.827364 (E_RNA)
where:
Base-Base interactions energy: -1480.656
where: short stacking energy: -660.291
Base-Backbone interact. energy: -2.216
local terms energy: -711.954621
where:
bonds (distance) C4'-P energy: -133.873
bonds (distance) P-C4' energy: -130.153
flat angles C4'-P-C4' energy: -147.272
flat angles P-C4'-P energy: -100.315
tors. eta vs tors. theta energy: -200.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2116.794101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.794101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.794101 (E_RNA)
where:
Base-Base interactions energy: -1417.834
where: short stacking energy: -638.140
Base-Backbone interact. energy: -3.831
local terms energy: -695.128784
where:
bonds (distance) C4'-P energy: -134.215
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -139.688
flat angles P-C4'-P energy: -89.594
tors. eta vs tors. theta energy: -202.720
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: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2001.488563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.488563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.488563 (E_RNA)
where:
Base-Base interactions energy: -1365.739
where: short stacking energy: -586.043
Base-Backbone interact. energy: -1.163
local terms energy: -634.586844
where:
bonds (distance) C4'-P energy: -129.151
bonds (distance) P-C4' energy: -118.352
flat angles C4'-P-C4' energy: -141.348
flat angles P-C4'-P energy: -76.972
tors. eta vs tors. theta energy: -168.764
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1918.746558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.746558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.746558 (E_RNA)
where:
Base-Base interactions energy: -1287.229
where: short stacking energy: -559.604
Base-Backbone interact. energy: -0.375
local terms energy: -631.143214
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -129.479
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -94.166
tors. eta vs tors. theta energy: -171.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1844.079773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.079773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.079773 (E_RNA)
where:
Base-Base interactions energy: -1277.505
where: short stacking energy: -538.435
Base-Backbone interact. energy: -1.070
local terms energy: -565.504875
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -117.589
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -71.501
tors. eta vs tors. theta energy: -141.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1707.273583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.273583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.273583 (E_RNA)
where:
Base-Base interactions energy: -1169.870
where: short stacking energy: -513.720
Base-Backbone interact. energy: 0.670
local terms energy: -538.073476
where:
bonds (distance) C4'-P energy: -101.890
bonds (distance) P-C4' energy: -103.337
flat angles C4'-P-C4' energy: -107.144
flat angles P-C4'-P energy: -74.973
tors. eta vs tors. theta energy: -150.730
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: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1442.638087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.638087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.638087 (E_RNA)
where:
Base-Base interactions energy: -897.712
where: short stacking energy: -412.604
Base-Backbone interact. energy: -2.154
local terms energy: -542.771958
where:
bonds (distance) C4'-P energy: -110.805
bonds (distance) P-C4' energy: -116.890
flat angles C4'-P-C4' energy: -115.845
flat angles P-C4'-P energy: -89.065
tors. eta vs tors. theta energy: -110.168
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: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1055.451840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.451840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.451840 (E_RNA)
where:
Base-Base interactions energy: -623.826
where: short stacking energy: -318.592
Base-Backbone interact. energy: -1.320
local terms energy: -430.306186
where:
bonds (distance) C4'-P energy: -113.618
bonds (distance) P-C4' energy: -97.759
flat angles C4'-P-C4' energy: -101.801
flat angles P-C4'-P energy: -58.720
tors. eta vs tors. theta energy: -58.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -823.203701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.203701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.203701 (E_RNA)
where:
Base-Base interactions energy: -426.776
where: short stacking energy: -231.674
Base-Backbone interact. energy: 4.962
local terms energy: -401.389776
where:
bonds (distance) C4'-P energy: -109.180
bonds (distance) P-C4' energy: -119.066
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -65.305
tors. eta vs tors. theta energy: -24.073
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: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -547.880969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.880969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.880969 (E_RNA)
where:
Base-Base interactions energy: -217.320
where: short stacking energy: -175.796
Base-Backbone interact. energy: 0.197
local terms energy: -330.757754
where:
bonds (distance) C4'-P energy: -81.434
bonds (distance) P-C4' energy: -110.494
flat angles C4'-P-C4' energy: -75.573
flat angles P-C4'-P energy: -57.089
tors. eta vs tors. theta energy: -6.167
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: 491
Temperature: 0.900000
Total energy: -2227.763234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.763234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.763234 (E_RNA)
where:
Base-Base interactions energy: -1528.751
where: short stacking energy: -679.403
Base-Backbone interact. energy: -4.606
local terms energy: -694.405787
where:
bonds (distance) C4'-P energy: -112.595
bonds (distance) P-C4' energy: -121.466
flat angles C4'-P-C4' energy: -152.487
flat angles P-C4'-P energy: -108.207
tors. eta vs tors. theta energy: -199.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2118.359881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.359881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.359881 (E_RNA)
where:
Base-Base interactions energy: -1436.103
where: short stacking energy: -644.877
Base-Backbone interact. energy: 1.174
local terms energy: -683.430964
where:
bonds (distance) C4'-P energy: -122.759
bonds (distance) P-C4' energy: -138.516
flat angles C4'-P-C4' energy: -140.579
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -197.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2019.512790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.512790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.512790 (E_RNA)
where:
Base-Base interactions energy: -1367.061
where: short stacking energy: -587.711
Base-Backbone interact. energy: -7.717
local terms energy: -644.734604
where:
bonds (distance) C4'-P energy: -132.890
bonds (distance) P-C4' energy: -124.693
flat angles C4'-P-C4' energy: -136.566
flat angles P-C4'-P energy: -82.785
tors. eta vs tors. theta energy: -167.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1946.640549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.640549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.640549 (E_RNA)
where:
Base-Base interactions energy: -1291.793
where: short stacking energy: -577.793
Base-Backbone interact. energy: -4.646
local terms energy: -650.201424
where:
bonds (distance) C4'-P energy: -116.241
bonds (distance) P-C4' energy: -122.342
flat angles C4'-P-C4' energy: -151.013
flat angles P-C4'-P energy: -86.409
tors. eta vs tors. theta energy: -174.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1832.261411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.261411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.261411 (E_RNA)
where:
Base-Base interactions energy: -1258.598
where: short stacking energy: -538.766
Base-Backbone interact. energy: 0.144
local terms energy: -573.806888
where:
bonds (distance) C4'-P energy: -95.519
bonds (distance) P-C4' energy: -121.962
flat angles C4'-P-C4' energy: -131.255
flat angles P-C4'-P energy: -87.386
tors. eta vs tors. theta energy: -137.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1743.635301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.635301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.635301 (E_RNA)
where:
Base-Base interactions energy: -1175.035
where: short stacking energy: -504.269
Base-Backbone interact. energy: -0.091
local terms energy: -568.509325
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -127.267
flat angles P-C4'-P energy: -73.956
tors. eta vs tors. theta energy: -135.794
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: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1392.098789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.098789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.098789 (E_RNA)
where:
Base-Base interactions energy: -892.161
where: short stacking energy: -418.625
Base-Backbone interact. energy: -1.031
local terms energy: -498.906925
where:
bonds (distance) C4'-P energy: -92.033
bonds (distance) P-C4' energy: -113.448
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -76.598
tors. eta vs tors. theta energy: -104.823
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: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1022.040068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.040068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.040068 (E_RNA)
where:
Base-Base interactions energy: -595.467
where: short stacking energy: -282.540
Base-Backbone interact. energy: -0.416
local terms energy: -426.156729
where:
bonds (distance) C4'-P energy: -108.671
bonds (distance) P-C4' energy: -104.686
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -55.984
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -770.614530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.614530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.614530 (E_RNA)
where:
Base-Base interactions energy: -412.349
where: short stacking energy: -225.110
Base-Backbone interact. energy: -3.153
local terms energy: -355.112939
where:
bonds (distance) C4'-P energy: -99.494
bonds (distance) P-C4' energy: -114.349
flat angles C4'-P-C4' energy: -63.008
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -22.363
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: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -597.725202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.725202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.725202 (E_RNA)
where:
Base-Base interactions energy: -251.340
where: short stacking energy: -157.427
Base-Backbone interact. energy: -0.317
local terms energy: -346.067985
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -110.024
flat angles C4'-P-C4' energy: -97.786
flat angles P-C4'-P energy: -55.148
tors. eta vs tors. theta energy: 12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2229.191019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.191019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.191019 (E_RNA)
where:
Base-Base interactions energy: -1506.186
where: short stacking energy: -643.830
Base-Backbone interact. energy: -3.279
local terms energy: -719.726298
where:
bonds (distance) C4'-P energy: -131.586
bonds (distance) P-C4' energy: -128.174
flat angles C4'-P-C4' energy: -149.547
flat angles P-C4'-P energy: -107.012
tors. eta vs tors. theta energy: -203.407
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: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2095.968048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.968048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.968048 (E_RNA)
where:
Base-Base interactions energy: -1411.320
where: short stacking energy: -609.111
Base-Backbone interact. energy: 4.552
local terms energy: -689.200166
where:
bonds (distance) C4'-P energy: -123.551
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -135.845
flat angles P-C4'-P energy: -102.911
tors. eta vs tors. theta energy: -197.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2022.189703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.189703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.189703 (E_RNA)
where:
Base-Base interactions energy: -1394.823
where: short stacking energy: -584.802
Base-Backbone interact. energy: -3.027
local terms energy: -624.340256
where:
bonds (distance) C4'-P energy: -119.482
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -135.441
flat angles P-C4'-P energy: -93.796
tors. eta vs tors. theta energy: -165.001
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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1962.357171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.357171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.357171 (E_RNA)
where:
Base-Base interactions energy: -1333.262
where: short stacking energy: -604.933
Base-Backbone interact. energy: 1.225
local terms energy: -630.320398
where:
bonds (distance) C4'-P energy: -105.202
bonds (distance) P-C4' energy: -116.381
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -92.104
tors. eta vs tors. theta energy: -184.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1792.216367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.216367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.216367 (E_RNA)
where:
Base-Base interactions energy: -1229.129
where: short stacking energy: -509.094
Base-Backbone interact. energy: -1.465
local terms energy: -561.621975
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -103.920
flat angles C4'-P-C4' energy: -136.743
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -126.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1741.026048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.026048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.026048 (E_RNA)
where:
Base-Base interactions energy: -1163.463
where: short stacking energy: -511.365
Base-Backbone interact. energy: -1.214
local terms energy: -576.349039
where:
bonds (distance) C4'-P energy: -103.710
bonds (distance) P-C4' energy: -110.935
flat angles C4'-P-C4' energy: -127.018
flat angles P-C4'-P energy: -92.101
tors. eta vs tors. theta energy: -142.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1370.146858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.146858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.146858 (E_RNA)
where:
Base-Base interactions energy: -871.923
where: short stacking energy: -366.502
Base-Backbone interact. energy: 0.407
local terms energy: -498.630989
where:
bonds (distance) C4'-P energy: -106.025
bonds (distance) P-C4' energy: -120.859
flat angles C4'-P-C4' energy: -101.361
flat angles P-C4'-P energy: -85.899
tors. eta vs tors. theta energy: -84.486
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: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1036.685893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.685893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.685893 (E_RNA)
where:
Base-Base interactions energy: -615.968
where: short stacking energy: -284.628
Base-Backbone interact. energy: -2.713
local terms energy: -418.005666
where:
bonds (distance) C4'-P energy: -93.923
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -102.960
flat angles P-C4'-P energy: -63.023
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -800.095052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.095052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.095052 (E_RNA)
where:
Base-Base interactions energy: -423.512
where: short stacking energy: -237.814
Base-Backbone interact. energy: 4.422
local terms energy: -381.004642
where:
bonds (distance) C4'-P energy: -105.182
bonds (distance) P-C4' energy: -105.704
flat angles C4'-P-C4' energy: -88.647
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -527.164852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.164852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.164852 (E_RNA)
where:
Base-Base interactions energy: -236.473
where: short stacking energy: -154.205
Base-Backbone interact. energy: 3.952
local terms energy: -294.643218
where:
bonds (distance) C4'-P energy: -90.865
bonds (distance) P-C4' energy: -110.255
flat angles C4'-P-C4' energy: -84.657
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: 32.012
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: 493
Temperature: 0.900000
Total energy: -2192.959064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.959064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.959064 (E_RNA)
where:
Base-Base interactions energy: -1493.063
where: short stacking energy: -643.652
Base-Backbone interact. energy: -0.416
local terms energy: -699.479451
where:
bonds (distance) C4'-P energy: -132.736
bonds (distance) P-C4' energy: -121.233
flat angles C4'-P-C4' energy: -152.285
flat angles P-C4'-P energy: -91.857
tors. eta vs tors. theta energy: -201.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2127.919462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.919462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.919462 (E_RNA)
where:
Base-Base interactions energy: -1427.250
where: short stacking energy: -656.423
Base-Backbone interact. energy: 0.416
local terms energy: -701.085644
where:
bonds (distance) C4'-P energy: -114.427
bonds (distance) P-C4' energy: -130.596
flat angles C4'-P-C4' energy: -138.563
flat angles P-C4'-P energy: -104.323
tors. eta vs tors. theta energy: -213.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2038.891990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.891990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.891990 (E_RNA)
where:
Base-Base interactions energy: -1422.696
where: short stacking energy: -571.146
Base-Backbone interact. energy: -1.388
local terms energy: -614.808345
where:
bonds (distance) C4'-P energy: -116.326
bonds (distance) P-C4' energy: -125.851
flat angles C4'-P-C4' energy: -127.421
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -163.839
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: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1911.160739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.160739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.160739 (E_RNA)
where:
Base-Base interactions energy: -1315.676
where: short stacking energy: -587.979
Base-Backbone interact. energy: -0.554
local terms energy: -594.930680
where:
bonds (distance) C4'-P energy: -104.258
bonds (distance) P-C4' energy: -89.417
flat angles C4'-P-C4' energy: -146.013
flat angles P-C4'-P energy: -81.714
tors. eta vs tors. theta energy: -173.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1805.324840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.324840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.324840 (E_RNA)
where:
Base-Base interactions energy: -1257.573
where: short stacking energy: -509.989
Base-Backbone interact. energy: -4.164
local terms energy: -543.588399
where:
bonds (distance) C4'-P energy: -106.904
bonds (distance) P-C4' energy: -121.122
flat angles C4'-P-C4' energy: -133.458
flat angles P-C4'-P energy: -56.399
tors. eta vs tors. theta energy: -125.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1786.375103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.375103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.375103 (E_RNA)
where:
Base-Base interactions energy: -1212.965
where: short stacking energy: -509.641
Base-Backbone interact. energy: -4.459
local terms energy: -568.951402
where:
bonds (distance) C4'-P energy: -96.472
bonds (distance) P-C4' energy: -105.805
flat angles C4'-P-C4' energy: -126.653
flat angles P-C4'-P energy: -82.319
tors. eta vs tors. theta energy: -157.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1348.550620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.550620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.550620 (E_RNA)
where:
Base-Base interactions energy: -869.895
where: short stacking energy: -388.093
Base-Backbone interact. energy: 0.769
local terms energy: -479.424604
where:
bonds (distance) C4'-P energy: -112.394
bonds (distance) P-C4' energy: -108.703
flat angles C4'-P-C4' energy: -109.298
flat angles P-C4'-P energy: -63.122
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: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1017.138836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.138836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.138836 (E_RNA)
where:
Base-Base interactions energy: -603.555
where: short stacking energy: -308.368
Base-Backbone interact. energy: -1.958
local terms energy: -411.626006
where:
bonds (distance) C4'-P energy: -104.675
bonds (distance) P-C4' energy: -100.649
flat angles C4'-P-C4' energy: -92.931
flat angles P-C4'-P energy: -59.242
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -823.241920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.241920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.241920 (E_RNA)
where:
Base-Base interactions energy: -473.147
where: short stacking energy: -231.443
Base-Backbone interact. energy: 2.066
local terms energy: -352.161119
where:
bonds (distance) C4'-P energy: -83.647
bonds (distance) P-C4' energy: -100.973
flat angles C4'-P-C4' energy: -81.738
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -535.241895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.241895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.241895 (E_RNA)
where:
Base-Base interactions energy: -210.154
where: short stacking energy: -162.123
Base-Backbone interact. energy: 0.996
local terms energy: -326.083996
where:
bonds (distance) C4'-P energy: -96.011
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -91.606
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: 22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2139.914553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.914553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.914553 (E_RNA)
where:
Base-Base interactions energy: -1464.008
where: short stacking energy: -643.402
Base-Backbone interact. energy: -2.296
local terms energy: -673.610508
where:
bonds (distance) C4'-P energy: -137.035
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -128.899
flat angles P-C4'-P energy: -87.695
tors. eta vs tors. theta energy: -200.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2156.918339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.918339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.918339 (E_RNA)
where:
Base-Base interactions energy: -1480.198
where: short stacking energy: -630.424
Base-Backbone interact. energy: -4.026
local terms energy: -672.694684
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -136.990
flat angles C4'-P-C4' energy: -138.978
flat angles P-C4'-P energy: -95.916
tors. eta vs tors. theta energy: -188.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2075.785331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.785331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.785331 (E_RNA)
where:
Base-Base interactions energy: -1448.295
where: short stacking energy: -610.173
Base-Backbone interact. energy: -3.196
local terms energy: -624.294888
where:
bonds (distance) C4'-P energy: -107.576
bonds (distance) P-C4' energy: -132.655
flat angles C4'-P-C4' energy: -131.280
flat angles P-C4'-P energy: -85.331
tors. eta vs tors. theta energy: -167.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1885.405503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.405503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.405503 (E_RNA)
where:
Base-Base interactions energy: -1266.968
where: short stacking energy: -567.725
Base-Backbone interact. energy: -0.411
local terms energy: -618.026246
where:
bonds (distance) C4'-P energy: -115.169
bonds (distance) P-C4' energy: -120.851
flat angles C4'-P-C4' energy: -135.370
flat angles P-C4'-P energy: -74.621
tors. eta vs tors. theta energy: -172.016
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: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1816.611655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.611655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.611655 (E_RNA)
where:
Base-Base interactions energy: -1274.172
where: short stacking energy: -550.083
Base-Backbone interact. energy: 1.400
local terms energy: -543.839623
where:
bonds (distance) C4'-P energy: -102.994
bonds (distance) P-C4' energy: -114.325
flat angles C4'-P-C4' energy: -113.389
flat angles P-C4'-P energy: -80.931
tors. eta vs tors. theta energy: -132.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1761.177334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.177334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.177334 (E_RNA)
where:
Base-Base interactions energy: -1212.994
where: short stacking energy: -510.488
Base-Backbone interact. energy: 0.114
local terms energy: -548.296515
where:
bonds (distance) C4'-P energy: -84.048
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -131.038
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -156.399
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: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1361.662098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.662098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.662098 (E_RNA)
where:
Base-Base interactions energy: -860.311
where: short stacking energy: -400.212
Base-Backbone interact. energy: 1.099
local terms energy: -502.450423
where:
bonds (distance) C4'-P energy: -112.085
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -106.426
flat angles P-C4'-P energy: -70.962
tors. eta vs tors. theta energy: -92.407
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: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1076.801810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.801810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.801810 (E_RNA)
where:
Base-Base interactions energy: -627.667
where: short stacking energy: -310.566
Base-Backbone interact. energy: -0.230
local terms energy: -448.904812
where:
bonds (distance) C4'-P energy: -97.206
bonds (distance) P-C4' energy: -121.263
flat angles C4'-P-C4' energy: -104.660
flat angles P-C4'-P energy: -69.276
tors. eta vs tors. theta energy: -56.499
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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -859.489920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.489920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.489920 (E_RNA)
where:
Base-Base interactions energy: -463.259
where: short stacking energy: -251.125
Base-Backbone interact. energy: -1.218
local terms energy: -395.013227
where:
bonds (distance) C4'-P energy: -107.820
bonds (distance) P-C4' energy: -115.693
flat angles C4'-P-C4' energy: -98.303
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -531.076082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.076082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.076082 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -158.554
Base-Backbone interact. energy: 1.828
local terms energy: -329.124211
where:
bonds (distance) C4'-P energy: -110.976
bonds (distance) P-C4' energy: -112.184
flat angles C4'-P-C4' energy: -83.324
flat angles P-C4'-P energy: -39.718
tors. eta vs tors. theta energy: 17.078
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: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2138.289050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.289050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.289050 (E_RNA)
where:
Base-Base interactions energy: -1451.334
where: short stacking energy: -658.295
Base-Backbone interact. energy: -0.943
local terms energy: -686.012904
where:
bonds (distance) C4'-P energy: -109.605
bonds (distance) P-C4' energy: -127.237
flat angles C4'-P-C4' energy: -147.374
flat angles P-C4'-P energy: -91.681
tors. eta vs tors. theta energy: -210.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2134.011248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.011248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.011248 (E_RNA)
where:
Base-Base interactions energy: -1477.826
where: short stacking energy: -640.409
Base-Backbone interact. energy: -4.519
local terms energy: -651.665848
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -123.251
flat angles C4'-P-C4' energy: -147.169
flat angles P-C4'-P energy: -87.005
tors. eta vs tors. theta energy: -178.509
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: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2052.302628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.302628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.302628 (E_RNA)
where:
Base-Base interactions energy: -1428.675
where: short stacking energy: -584.701
Base-Backbone interact. energy: -0.661
local terms energy: -622.966651
where:
bonds (distance) C4'-P energy: -121.108
bonds (distance) P-C4' energy: -124.318
flat angles C4'-P-C4' energy: -145.086
flat angles P-C4'-P energy: -70.299
tors. eta vs tors. theta energy: -162.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1867.323601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.323601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.323601 (E_RNA)
where:
Base-Base interactions energy: -1257.672
where: short stacking energy: -563.020
Base-Backbone interact. energy: -3.998
local terms energy: -605.654232
where:
bonds (distance) C4'-P energy: -122.251
bonds (distance) P-C4' energy: -113.334
flat angles C4'-P-C4' energy: -133.903
flat angles P-C4'-P energy: -86.047
tors. eta vs tors. theta energy: -150.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1839.105464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.105464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.105464 (E_RNA)
where:
Base-Base interactions energy: -1274.074
where: short stacking energy: -546.222
Base-Backbone interact. energy: 3.228
local terms energy: -568.259677
where:
bonds (distance) C4'-P energy: -120.662
bonds (distance) P-C4' energy: -100.242
flat angles C4'-P-C4' energy: -121.245
flat angles P-C4'-P energy: -86.625
tors. eta vs tors. theta energy: -139.485
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: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1765.252338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.252338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.252338 (E_RNA)
where:
Base-Base interactions energy: -1188.977
where: short stacking energy: -502.933
Base-Backbone interact. energy: -0.472
local terms energy: -575.802923
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -88.147
flat angles C4'-P-C4' energy: -127.649
flat angles P-C4'-P energy: -83.245
tors. eta vs tors. theta energy: -154.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1408.667993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.667993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.667993 (E_RNA)
where:
Base-Base interactions energy: -874.789
where: short stacking energy: -396.965
Base-Backbone interact. energy: -0.527
local terms energy: -533.351691
where:
bonds (distance) C4'-P energy: -114.571
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -125.231
flat angles P-C4'-P energy: -71.759
tors. eta vs tors. theta energy: -96.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1132.581670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.581670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.581670 (E_RNA)
where:
Base-Base interactions energy: -682.469
where: short stacking energy: -313.777
Base-Backbone interact. energy: 0.269
local terms energy: -450.381705
where:
bonds (distance) C4'-P energy: -96.515
bonds (distance) P-C4' energy: -111.404
flat angles C4'-P-C4' energy: -107.731
flat angles P-C4'-P energy: -73.556
tors. eta vs tors. theta energy: -61.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -903.632966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.632966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.632966 (E_RNA)
where:
Base-Base interactions energy: -514.526
where: short stacking energy: -275.970
Base-Backbone interact. energy: -0.092
local terms energy: -389.015836
where:
bonds (distance) C4'-P energy: -85.964
bonds (distance) P-C4' energy: -111.643
flat angles C4'-P-C4' energy: -85.267
flat angles P-C4'-P energy: -69.945
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -500.706945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.706945 (E_RNA)
where:
Base-Base interactions energy: -194.149
where: short stacking energy: -168.676
Base-Backbone interact. energy: 7.168
local terms energy: -313.725884
where:
bonds (distance) C4'-P energy: -109.748
bonds (distance) P-C4' energy: -93.812
flat angles C4'-P-C4' energy: -90.605
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: 23.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2178.567318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.567318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.567318 (E_RNA)
where:
Base-Base interactions energy: -1482.889
where: short stacking energy: -674.269
Base-Backbone interact. energy: -3.487
local terms energy: -692.191779
where:
bonds (distance) C4'-P energy: -126.283
bonds (distance) P-C4' energy: -125.736
flat angles C4'-P-C4' energy: -134.378
flat angles P-C4'-P energy: -96.883
tors. eta vs tors. theta energy: -208.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2104.225084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.225084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.225084 (E_RNA)
where:
Base-Base interactions energy: -1460.099
where: short stacking energy: -594.339
Base-Backbone interact. energy: -3.914
local terms energy: -640.211772
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -109.380
flat angles C4'-P-C4' energy: -136.192
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -177.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2049.754279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.754279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.754279 (E_RNA)
where:
Base-Base interactions energy: -1429.819
where: short stacking energy: -571.881
Base-Backbone interact. energy: -1.026
local terms energy: -618.909225
where:
bonds (distance) C4'-P energy: -120.227
bonds (distance) P-C4' energy: -121.096
flat angles C4'-P-C4' energy: -121.081
flat angles P-C4'-P energy: -89.505
tors. eta vs tors. theta energy: -167.000
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: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1881.169451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.169451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.169451 (E_RNA)
where:
Base-Base interactions energy: -1256.923
where: short stacking energy: -553.085
Base-Backbone interact. energy: -3.949
local terms energy: -620.298211
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -111.039
flat angles C4'-P-C4' energy: -136.396
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -167.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1868.155287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.155287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.155287 (E_RNA)
where:
Base-Base interactions energy: -1297.979
where: short stacking energy: -567.553
Base-Backbone interact. energy: -4.837
local terms energy: -565.338878
where:
bonds (distance) C4'-P energy: -108.123
bonds (distance) P-C4' energy: -120.631
flat angles C4'-P-C4' energy: -124.751
flat angles P-C4'-P energy: -79.547
tors. eta vs tors. theta energy: -132.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1694.484935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.484935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.484935 (E_RNA)
where:
Base-Base interactions energy: -1127.589
where: short stacking energy: -482.280
Base-Backbone interact. energy: -3.113
local terms energy: -563.783724
where:
bonds (distance) C4'-P energy: -111.106
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -123.958
flat angles P-C4'-P energy: -74.418
tors. eta vs tors. theta energy: -139.094
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: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1398.893610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.893610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.893610 (E_RNA)
where:
Base-Base interactions energy: -903.631
where: short stacking energy: -424.452
Base-Backbone interact. energy: 1.040
local terms energy: -496.302358
where:
bonds (distance) C4'-P energy: -89.423
bonds (distance) P-C4' energy: -115.968
flat angles C4'-P-C4' energy: -116.347
flat angles P-C4'-P energy: -71.489
tors. eta vs tors. theta energy: -103.076
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: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1127.197479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.197479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.197479 (E_RNA)
where:
Base-Base interactions energy: -697.896
where: short stacking energy: -332.257
Base-Backbone interact. energy: 0.597
local terms energy: -429.898448
where:
bonds (distance) C4'-P energy: -99.159
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -94.876
flat angles P-C4'-P energy: -65.167
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -929.297862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.297862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.297862 (E_RNA)
where:
Base-Base interactions energy: -537.398
where: short stacking energy: -280.224
Base-Backbone interact. energy: 1.182
local terms energy: -393.082227
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -113.808
flat angles C4'-P-C4' energy: -98.077
flat angles P-C4'-P energy: -55.337
tors. eta vs tors. theta energy: -42.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -493.144225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.144225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.144225 (E_RNA)
where:
Base-Base interactions energy: -173.083
where: short stacking energy: -136.950
Base-Backbone interact. energy: -1.295
local terms energy: -318.765797
where:
bonds (distance) C4'-P energy: -100.197
bonds (distance) P-C4' energy: -90.163
flat angles C4'-P-C4' energy: -100.415
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: 21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2210.202190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.202190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.202190 (E_RNA)
where:
Base-Base interactions energy: -1488.816
where: short stacking energy: -664.119
Base-Backbone interact. energy: -5.373
local terms energy: -716.012898
where:
bonds (distance) C4'-P energy: -124.808
bonds (distance) P-C4' energy: -130.617
flat angles C4'-P-C4' energy: -149.315
flat angles P-C4'-P energy: -97.610
tors. eta vs tors. theta energy: -213.662
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: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2093.489400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.489400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.489400 (E_RNA)
where:
Base-Base interactions energy: -1436.315
where: short stacking energy: -617.863
Base-Backbone interact. energy: -1.504
local terms energy: -655.670428
where:
bonds (distance) C4'-P energy: -122.083
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -141.640
flat angles P-C4'-P energy: -93.233
tors. eta vs tors. theta energy: -175.373
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: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2039.262843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.262843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.262843 (E_RNA)
where:
Base-Base interactions energy: -1420.578
where: short stacking energy: -593.108
Base-Backbone interact. energy: 1.428
local terms energy: -620.112706
where:
bonds (distance) C4'-P energy: -112.834
bonds (distance) P-C4' energy: -116.817
flat angles C4'-P-C4' energy: -126.965
flat angles P-C4'-P energy: -89.819
tors. eta vs tors. theta energy: -173.678
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: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1911.193247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.193247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.193247 (E_RNA)
where:
Base-Base interactions energy: -1294.456
where: short stacking energy: -555.883
Base-Backbone interact. energy: 2.278
local terms energy: -619.015604
where:
bonds (distance) C4'-P energy: -114.169
bonds (distance) P-C4' energy: -130.359
flat angles C4'-P-C4' energy: -129.037
flat angles P-C4'-P energy: -87.559
tors. eta vs tors. theta energy: -157.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1770.849630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.849630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.849630 (E_RNA)
where:
Base-Base interactions energy: -1193.222
where: short stacking energy: -517.338
Base-Backbone interact. energy: 1.617
local terms energy: -579.244696
where:
bonds (distance) C4'-P energy: -123.578
bonds (distance) P-C4' energy: -116.651
flat angles C4'-P-C4' energy: -124.585
flat angles P-C4'-P energy: -91.078
tors. eta vs tors. theta energy: -123.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1740.016601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.016601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.016601 (E_RNA)
where:
Base-Base interactions energy: -1172.966
where: short stacking energy: -499.471
Base-Backbone interact. energy: 0.357
local terms energy: -567.407996
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -115.243
flat angles C4'-P-C4' energy: -122.760
flat angles P-C4'-P energy: -77.256
tors. eta vs tors. theta energy: -153.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1355.601771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.601771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.601771 (E_RNA)
where:
Base-Base interactions energy: -887.011
where: short stacking energy: -387.956
Base-Backbone interact. energy: 2.345
local terms energy: -470.935127
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -101.076
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -81.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1131.119394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.119394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.119394 (E_RNA)
where:
Base-Base interactions energy: -695.282
where: short stacking energy: -339.620
Base-Backbone interact. energy: 5.179
local terms energy: -441.016340
where:
bonds (distance) C4'-P energy: -108.926
bonds (distance) P-C4' energy: -98.215
flat angles C4'-P-C4' energy: -118.440
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -952.747797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.747797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.747797 (E_RNA)
where:
Base-Base interactions energy: -518.576
where: short stacking energy: -266.626
Base-Backbone interact. energy: -0.342
local terms energy: -433.829032
where:
bonds (distance) C4'-P energy: -102.151
bonds (distance) P-C4' energy: -102.568
flat angles C4'-P-C4' energy: -120.144
flat angles P-C4'-P energy: -62.819
tors. eta vs tors. theta energy: -46.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -539.100872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.100872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.100872 (E_RNA)
where:
Base-Base interactions energy: -205.713
where: short stacking energy: -149.906
Base-Backbone interact. energy: -1.387
local terms energy: -332.001449
where:
bonds (distance) C4'-P energy: -100.401
bonds (distance) P-C4' energy: -120.186
flat angles C4'-P-C4' energy: -78.485
flat angles P-C4'-P energy: -44.035
tors. eta vs tors. theta energy: 11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2187.731627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.731627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.731627 (E_RNA)
where:
Base-Base interactions energy: -1484.581
where: short stacking energy: -652.360
Base-Backbone interact. energy: -2.038
local terms energy: -701.112302
where:
bonds (distance) C4'-P energy: -125.188
bonds (distance) P-C4' energy: -122.239
flat angles C4'-P-C4' energy: -144.553
flat angles P-C4'-P energy: -104.676
tors. eta vs tors. theta energy: -204.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2120.705097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.705097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.705097 (E_RNA)
where:
Base-Base interactions energy: -1466.798
where: short stacking energy: -622.574
Base-Backbone interact. energy: -2.962
local terms energy: -650.945151
where:
bonds (distance) C4'-P energy: -122.951
bonds (distance) P-C4' energy: -134.628
flat angles C4'-P-C4' energy: -137.940
flat angles P-C4'-P energy: -80.790
tors. eta vs tors. theta energy: -174.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2018.842815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.842815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.842815 (E_RNA)
where:
Base-Base interactions energy: -1421.492
where: short stacking energy: -546.058
Base-Backbone interact. energy: 1.378
local terms energy: -598.728845
where:
bonds (distance) C4'-P energy: -113.135
bonds (distance) P-C4' energy: -122.940
flat angles C4'-P-C4' energy: -132.698
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -149.487
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: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1907.959192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.959192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.959192 (E_RNA)
where:
Base-Base interactions energy: -1293.848
where: short stacking energy: -550.761
Base-Backbone interact. energy: -2.552
local terms energy: -611.558529
where:
bonds (distance) C4'-P energy: -117.697
bonds (distance) P-C4' energy: -128.527
flat angles C4'-P-C4' energy: -131.879
flat angles P-C4'-P energy: -83.694
tors. eta vs tors. theta energy: -149.763
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: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1774.833431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.833431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.833431 (E_RNA)
where:
Base-Base interactions energy: -1173.242
where: short stacking energy: -502.270
Base-Backbone interact. energy: -1.311
local terms energy: -600.280179
where:
bonds (distance) C4'-P energy: -121.289
bonds (distance) P-C4' energy: -123.556
flat angles C4'-P-C4' energy: -123.876
flat angles P-C4'-P energy: -81.435
tors. eta vs tors. theta energy: -150.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1718.244438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.244438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.244438 (E_RNA)
where:
Base-Base interactions energy: -1149.796
where: short stacking energy: -489.317
Base-Backbone interact. energy: 1.849
local terms energy: -570.297408
where:
bonds (distance) C4'-P energy: -121.207
bonds (distance) P-C4' energy: -132.108
flat angles C4'-P-C4' energy: -113.554
flat angles P-C4'-P energy: -75.868
tors. eta vs tors. theta energy: -127.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1374.042568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.042568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.042568 (E_RNA)
where:
Base-Base interactions energy: -906.474
where: short stacking energy: -401.710
Base-Backbone interact. energy: -4.014
local terms energy: -463.554738
where:
bonds (distance) C4'-P energy: -86.409
bonds (distance) P-C4' energy: -100.441
flat angles C4'-P-C4' energy: -128.923
flat angles P-C4'-P energy: -68.152
tors. eta vs tors. theta energy: -79.629
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: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1118.652469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.652469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.652469 (E_RNA)
where:
Base-Base interactions energy: -689.661
where: short stacking energy: -331.165
Base-Backbone interact. energy: -2.548
local terms energy: -426.443077
where:
bonds (distance) C4'-P energy: -97.277
bonds (distance) P-C4' energy: -106.406
flat angles C4'-P-C4' energy: -99.108
flat angles P-C4'-P energy: -75.994
tors. eta vs tors. theta energy: -47.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -921.729431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.729431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.729431 (E_RNA)
where:
Base-Base interactions energy: -538.960
where: short stacking energy: -261.404
Base-Backbone interact. energy: -3.930
local terms energy: -378.839518
where:
bonds (distance) C4'-P energy: -105.098
bonds (distance) P-C4' energy: -92.425
flat angles C4'-P-C4' energy: -82.915
flat angles P-C4'-P energy: -57.492
tors. eta vs tors. theta energy: -40.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -602.173233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.173233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.173233 (E_RNA)
where:
Base-Base interactions energy: -267.874
where: short stacking energy: -182.062
Base-Backbone interact. energy: 6.332
local terms energy: -340.631076
where:
bonds (distance) C4'-P energy: -108.429
bonds (distance) P-C4' energy: -109.467
flat angles C4'-P-C4' energy: -79.344
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2179.462326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.462326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.462326 (E_RNA)
where:
Base-Base interactions energy: -1467.609
where: short stacking energy: -653.508
Base-Backbone interact. energy: -3.486
local terms energy: -708.367377
where:
bonds (distance) C4'-P energy: -128.130
bonds (distance) P-C4' energy: -117.354
flat angles C4'-P-C4' energy: -149.521
flat angles P-C4'-P energy: -106.718
tors. eta vs tors. theta energy: -206.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2120.439145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.439145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.439145 (E_RNA)
where:
Base-Base interactions energy: -1452.576
where: short stacking energy: -623.866
Base-Backbone interact. energy: 0.374
local terms energy: -668.236482
where:
bonds (distance) C4'-P energy: -132.319
bonds (distance) P-C4' energy: -112.801
flat angles C4'-P-C4' energy: -141.476
flat angles P-C4'-P energy: -99.150
tors. eta vs tors. theta energy: -182.490
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: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2060.624626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.624626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.624626 (E_RNA)
where:
Base-Base interactions energy: -1421.366
where: short stacking energy: -586.971
Base-Backbone interact. energy: -2.375
local terms energy: -636.883324
where:
bonds (distance) C4'-P energy: -122.001
bonds (distance) P-C4' energy: -124.317
flat angles C4'-P-C4' energy: -133.539
flat angles P-C4'-P energy: -87.202
tors. eta vs tors. theta energy: -169.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1952.546218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.546218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.546218 (E_RNA)
where:
Base-Base interactions energy: -1322.984
where: short stacking energy: -591.201
Base-Backbone interact. energy: 0.655
local terms energy: -630.217530
where:
bonds (distance) C4'-P energy: -133.883
bonds (distance) P-C4' energy: -102.207
flat angles C4'-P-C4' energy: -144.812
flat angles P-C4'-P energy: -85.436
tors. eta vs tors. theta energy: -163.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1808.940341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.940341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.940341 (E_RNA)
where:
Base-Base interactions energy: -1221.834
where: short stacking energy: -548.034
Base-Backbone interact. energy: -2.403
local terms energy: -584.703293
where:
bonds (distance) C4'-P energy: -88.795
bonds (distance) P-C4' energy: -124.499
flat angles C4'-P-C4' energy: -135.603
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -145.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1737.341477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.341477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.341477 (E_RNA)
where:
Base-Base interactions energy: -1188.774
where: short stacking energy: -511.410
Base-Backbone interact. energy: -3.873
local terms energy: -544.695145
where:
bonds (distance) C4'-P energy: -114.442
bonds (distance) P-C4' energy: -103.729
flat angles C4'-P-C4' energy: -115.295
flat angles P-C4'-P energy: -77.829
tors. eta vs tors. theta energy: -133.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1468.264344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.264344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.264344 (E_RNA)
where:
Base-Base interactions energy: -976.937
where: short stacking energy: -418.834
Base-Backbone interact. energy: -1.105
local terms energy: -490.222428
where:
bonds (distance) C4'-P energy: -102.548
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -66.983
tors. eta vs tors. theta energy: -105.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -998.427134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.427134 (E_RNA)
where:
Base-Base interactions energy: -579.716
where: short stacking energy: -285.357
Base-Backbone interact. energy: -1.491
local terms energy: -417.220264
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -115.438
flat angles C4'-P-C4' energy: -110.610
flat angles P-C4'-P energy: -63.997
tors. eta vs tors. theta energy: -35.906
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: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1001.251427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.251427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.251427 (E_RNA)
where:
Base-Base interactions energy: -587.808
where: short stacking energy: -283.236
Base-Backbone interact. energy: -4.203
local terms energy: -409.241130
where:
bonds (distance) C4'-P energy: -108.147
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -102.406
flat angles P-C4'-P energy: -56.049
tors. eta vs tors. theta energy: -49.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -589.688476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.688476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.688476 (E_RNA)
where:
Base-Base interactions energy: -287.143
where: short stacking energy: -184.784
Base-Backbone interact. energy: 1.793
local terms energy: -304.338732
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -87.166
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2183.046219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.046219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.046219 (E_RNA)
where:
Base-Base interactions energy: -1513.159
where: short stacking energy: -651.119
Base-Backbone interact. energy: -2.807
local terms energy: -667.080513
where:
bonds (distance) C4'-P energy: -117.873
bonds (distance) P-C4' energy: -122.061
flat angles C4'-P-C4' energy: -135.138
flat angles P-C4'-P energy: -92.899
tors. eta vs tors. theta energy: -199.109
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: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2133.968186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.968186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.968186 (E_RNA)
where:
Base-Base interactions energy: -1486.636
where: short stacking energy: -622.024
Base-Backbone interact. energy: -4.709
local terms energy: -642.623316
where:
bonds (distance) C4'-P energy: -120.854
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -128.519
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -183.823
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: 500
Temperature: 1.000000
Total energy: -2037.748691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.748691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.748691 (E_RNA)
where:
Base-Base interactions energy: -1428.174
where: short stacking energy: -585.018
Base-Backbone interact. energy: -5.085
local terms energy: -604.490423
where:
bonds (distance) C4'-P energy: -119.549
bonds (distance) P-C4' energy: -113.647
flat angles C4'-P-C4' energy: -126.466
flat angles P-C4'-P energy: -86.988
tors. eta vs tors. theta energy: -157.840
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: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1920.337923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.337923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.337923 (E_RNA)
where:
Base-Base interactions energy: -1295.297
where: short stacking energy: -577.756
Base-Backbone interact. energy: -0.858
local terms energy: -624.183210
where:
bonds (distance) C4'-P energy: -121.402
bonds (distance) P-C4' energy: -108.860
flat angles C4'-P-C4' energy: -132.356
flat angles P-C4'-P energy: -82.732
tors. eta vs tors. theta energy: -178.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1775.461195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.461195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.461195 (E_RNA)
where:
Base-Base interactions energy: -1177.323
where: short stacking energy: -527.737
Base-Backbone interact. energy: -1.533
local terms energy: -596.605963
where:
bonds (distance) C4'-P energy: -105.960
bonds (distance) P-C4' energy: -127.061
flat angles C4'-P-C4' energy: -128.285
flat angles P-C4'-P energy: -92.461
tors. eta vs tors. theta energy: -142.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1653.448644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.448644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.448644 (E_RNA)
where:
Base-Base interactions energy: -1125.802
where: short stacking energy: -462.780
Base-Backbone interact. energy: -2.505
local terms energy: -525.141650
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -115.279
flat angles C4'-P-C4' energy: -120.788
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -111.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1461.921225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.921225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.921225 (E_RNA)
where:
Base-Base interactions energy: -947.840
where: short stacking energy: -408.934
Base-Backbone interact. energy: 0.674
local terms energy: -514.755219
where:
bonds (distance) C4'-P energy: -102.934
bonds (distance) P-C4' energy: -112.115
flat angles C4'-P-C4' energy: -120.521
flat angles P-C4'-P energy: -74.264
tors. eta vs tors. theta energy: -104.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1007.883074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.883074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.883074 (E_RNA)
where:
Base-Base interactions energy: -578.433
where: short stacking energy: -282.577
Base-Backbone interact. energy: -0.265
local terms energy: -429.185227
where:
bonds (distance) C4'-P energy: -101.064
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -65.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -909.843284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.843284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.843284 (E_RNA)
where:
Base-Base interactions energy: -515.510
where: short stacking energy: -255.447
Base-Backbone interact. energy: -1.749
local terms energy: -392.584237
where:
bonds (distance) C4'-P energy: -90.597
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -89.544
flat angles P-C4'-P energy: -60.521
tors. eta vs tors. theta energy: -37.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -519.782518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.782518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.782518 (E_RNA)
where:
Base-Base interactions energy: -253.723
where: short stacking energy: -169.040
Base-Backbone interact. energy: 0.225
local terms energy: -266.284541
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -90.653
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: 16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2200.231406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.231406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.231406 (E_RNA)
where:
Base-Base interactions energy: -1497.402
where: short stacking energy: -645.695
Base-Backbone interact. energy: -2.695
local terms energy: -700.133931
where:
bonds (distance) C4'-P energy: -126.048
bonds (distance) P-C4' energy: -124.902
flat angles C4'-P-C4' energy: -147.933
flat angles P-C4'-P energy: -105.189
tors. eta vs tors. theta energy: -196.062
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: 501
Temperature: 0.950000
Total energy: -2142.424793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.424793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.424793 (E_RNA)
where:
Base-Base interactions energy: -1464.402
where: short stacking energy: -614.121
Base-Backbone interact. energy: -0.747
local terms energy: -677.275624
where:
bonds (distance) C4'-P energy: -120.494
bonds (distance) P-C4' energy: -131.456
flat angles C4'-P-C4' energy: -146.885
flat angles P-C4'-P energy: -95.784
tors. eta vs tors. theta energy: -182.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2050.404286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.404286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.404286 (E_RNA)
where:
Base-Base interactions energy: -1445.108
where: short stacking energy: -589.799
Base-Backbone interact. energy: -4.027
local terms energy: -601.268616
where:
bonds (distance) C4'-P energy: -105.124
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -135.307
flat angles P-C4'-P energy: -81.002
tors. eta vs tors. theta energy: -162.001
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: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1941.469375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.469375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.469375 (E_RNA)
where:
Base-Base interactions energy: -1316.785
where: short stacking energy: -565.518
Base-Backbone interact. energy: -2.844
local terms energy: -621.839745
where:
bonds (distance) C4'-P energy: -119.020
bonds (distance) P-C4' energy: -122.186
flat angles C4'-P-C4' energy: -129.890
flat angles P-C4'-P energy: -82.039
tors. eta vs tors. theta energy: -168.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1769.320593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.320593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.320593 (E_RNA)
where:
Base-Base interactions energy: -1189.664
where: short stacking energy: -520.590
Base-Backbone interact. energy: 0.373
local terms energy: -580.028811
where:
bonds (distance) C4'-P energy: -108.940
bonds (distance) P-C4' energy: -113.382
flat angles C4'-P-C4' energy: -121.867
flat angles P-C4'-P energy: -76.237
tors. eta vs tors. theta energy: -159.603
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: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1687.134708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.134708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.134708 (E_RNA)
where:
Base-Base interactions energy: -1121.733
where: short stacking energy: -480.677
Base-Backbone interact. energy: -0.258
local terms energy: -565.143710
where:
bonds (distance) C4'-P energy: -124.893
bonds (distance) P-C4' energy: -124.117
flat angles C4'-P-C4' energy: -130.442
flat angles P-C4'-P energy: -72.577
tors. eta vs tors. theta energy: -113.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1430.501708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.501708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.501708 (E_RNA)
where:
Base-Base interactions energy: -939.943
where: short stacking energy: -435.771
Base-Backbone interact. energy: -2.687
local terms energy: -487.871235
where:
bonds (distance) C4'-P energy: -103.639
bonds (distance) P-C4' energy: -103.112
flat angles C4'-P-C4' energy: -116.410
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -109.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -992.968867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.968867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.968867 (E_RNA)
where:
Base-Base interactions energy: -600.214
where: short stacking energy: -321.243
Base-Backbone interact. energy: -3.737
local terms energy: -389.017488
where:
bonds (distance) C4'-P energy: -91.607
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -101.198
flat angles P-C4'-P energy: -49.012
tors. eta vs tors. theta energy: -40.508
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: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1032.731052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.731052 (E_RNA)
where:
Base-Base interactions energy: -629.313
where: short stacking energy: -287.090
Base-Backbone interact. energy: 0.476
local terms energy: -403.894318
where:
bonds (distance) C4'-P energy: -93.745
bonds (distance) P-C4' energy: -107.521
flat angles C4'-P-C4' energy: -98.797
flat angles P-C4'-P energy: -63.675
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -511.148862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.148862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.148862 (E_RNA)
where:
Base-Base interactions energy: -171.392
where: short stacking energy: -164.842
Base-Backbone interact. energy: 2.724
local terms energy: -342.481573
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -91.909
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: 13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 145148526
moves confirmed later: 165764385
all moves confirmed: 310912911
percent of confirmed moves: 38.864114
current total energy: -1996.779489
recalc. total energy: -1996.779489
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 122414698
moves confirmed later: 137206462
all moves confirmed: 259621160
percent of confirmed moves: 32.452645
current total energy: -2099.022835
recalc. total energy: -2099.022835
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 110551385
moves confirmed later: 121534325
all moves confirmed: 232085710
percent of confirmed moves: 29.010714
current total energy: -1882.709752
recalc. total energy: -1882.709752
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 162233986
moves confirmed later: 188399298
all moves confirmed: 350633284
percent of confirmed moves: 43.829161
current total energy: -1729.896155
recalc. total energy: -1729.896155
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 125398990
moves confirmed later: 140432218
all moves confirmed: 265831208
percent of confirmed moves: 33.228901
current total energy: -1720.942286
recalc. total energy: -1720.942286
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 112931636
moves confirmed later: 124370354
all moves confirmed: 237301990
percent of confirmed moves: 29.662749
current total energy: -1527.146227
recalc. total energy: -1527.146227
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 109477615
moves confirmed later: 120174925
all moves confirmed: 229652540
percent of confirmed moves: 28.706567
current total energy: -1291.786520
recalc. total energy: -1291.786520
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 229161684
moves confirmed later: 275045622
all moves confirmed: 504207306
percent of confirmed moves: 63.025913
current total energy: -894.876418
recalc. total energy: -894.876418
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 221099095
moves confirmed later: 265261515
all moves confirmed: 486360610
percent of confirmed moves: 60.795076
current total energy: -934.173300
recalc. total energy: -934.173300
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 188309102
moves confirmed later: 222038058
all moves confirmed: 410347160
percent of confirmed moves: 51.293395
current total energy: -320.056110
recalc. total energy: -320.056110
out arg RESULTS//1/raiA_ncRNA-12341df5_01
Time of doing 8000000 iterations: 31132.501 seconds