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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/test1-c6eeca96/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test1-c6eeca96/inputs/seq.fa: 1
curr_seq: _UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACUUCUUCAGGUUAACCCAACAGAAGGCUAAAGAAGGUAUAUUGCUGUUGACAGUGAGCGCACAGUUUUAUGCUUAUUUUAAUAGUGAAGCCACAGAUGUAUUAAAAUAAGCAUAAAACUGUAUGCCUACUGCCUCGGACUUCAAGGGGCUACUUUAGGAGCAAUUAUCUUGUUUACUAAAACUGAAUACCUUGCUAU
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 199 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: 1000
n_atoms_counter: 1000
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 1
Temperature: 0.950000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -785.371117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.371117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.371117 (E_RNA)
where:
Base-Base interactions energy: -10.813
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.000
local terms energy: -774.557823
where:
bonds (distance) C4'-P energy: -193.344
bonds (distance) P-C4' energy: -178.930
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -167.135
tors. eta vs tors. theta energy: -89.038
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -954.286657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.286657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.286657 (E_RNA)
where:
Base-Base interactions energy: -375.616
where: short stacking energy: -371.207
Base-Backbone interact. energy: -0.225
local terms energy: -578.444992
where:
bonds (distance) C4'-P energy: -131.067
bonds (distance) P-C4' energy: -138.672
flat angles C4'-P-C4' energy: -127.089
flat angles P-C4'-P energy: -78.572
tors. eta vs tors. theta energy: -103.045
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: 2
Temperature: 0.950000
Total energy: -908.661853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.661853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.661853 (E_RNA)
where:
Base-Base interactions energy: -355.621
where: short stacking energy: -349.455
Base-Backbone interact. energy: -0.191
local terms energy: -552.849202
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -126.873
flat angles P-C4'-P energy: -92.519
tors. eta vs tors. theta energy: -91.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -860.817454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.817454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.817454 (E_RNA)
where:
Base-Base interactions energy: -358.091
where: short stacking energy: -345.858
Base-Backbone interact. energy: 0.726
local terms energy: -503.453023
where:
bonds (distance) C4'-P energy: -116.070
bonds (distance) P-C4' energy: -129.563
flat angles C4'-P-C4' energy: -113.315
flat angles P-C4'-P energy: -73.559
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -799.345223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.345223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.345223 (E_RNA)
where:
Base-Base interactions energy: -71.622
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.000
local terms energy: -727.722477
where:
bonds (distance) C4'-P energy: -170.526
bonds (distance) P-C4' energy: -154.252
flat angles C4'-P-C4' energy: -146.588
flat angles P-C4'-P energy: -159.436
tors. eta vs tors. theta energy: -96.920
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -800.994195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.994195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.994195 (E_RNA)
where:
Base-Base interactions energy: -85.656
where: short stacking energy: -85.656
Base-Backbone interact. energy: -0.000
local terms energy: -715.337635
where:
bonds (distance) C4'-P energy: -164.817
bonds (distance) P-C4' energy: -149.471
flat angles C4'-P-C4' energy: -148.390
flat angles P-C4'-P energy: -157.442
tors. eta vs tors. theta energy: -95.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -792.762574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.762574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.762574 (E_RNA)
where:
Base-Base interactions energy: -49.858
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.000
local terms energy: -742.904739
where:
bonds (distance) C4'-P energy: -173.263
bonds (distance) P-C4' energy: -164.429
flat angles C4'-P-C4' energy: -148.082
flat angles P-C4'-P energy: -161.315
tors. eta vs tors. theta energy: -95.815
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -789.098627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.098627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.098627 (E_RNA)
where:
Base-Base interactions energy: -18.139
where: short stacking energy: -18.139
Base-Backbone interact. energy: -0.000
local terms energy: -770.959639
where:
bonds (distance) C4'-P energy: -191.999
bonds (distance) P-C4' energy: -177.084
flat angles C4'-P-C4' energy: -145.242
flat angles P-C4'-P energy: -166.459
tors. eta vs tors. theta energy: -90.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -788.802612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.802612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.802612 (E_RNA)
where:
Base-Base interactions energy: -18.343
where: short stacking energy: -18.343
Base-Backbone interact. energy: -0.000
local terms energy: -770.459521
where:
bonds (distance) C4'-P energy: -191.999
bonds (distance) P-C4' energy: -177.342
flat angles C4'-P-C4' energy: -144.874
flat angles P-C4'-P energy: -166.191
tors. eta vs tors. theta energy: -90.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -789.431955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.431955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.431955 (E_RNA)
where:
Base-Base interactions energy: -18.846
where: short stacking energy: -18.846
Base-Backbone interact. energy: -0.000
local terms energy: -770.585880
where:
bonds (distance) C4'-P energy: -191.999
bonds (distance) P-C4' energy: -177.342
flat angles C4'-P-C4' energy: -144.874
flat angles P-C4'-P energy: -166.191
tors. eta vs tors. theta energy: -90.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -786.819420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.819420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.819420 (E_RNA)
where:
Base-Base interactions energy: -20.767
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.000
local terms energy: -766.051800
where:
bonds (distance) C4'-P energy: -188.998
bonds (distance) P-C4' energy: -173.821
flat angles C4'-P-C4' energy: -146.197
flat angles P-C4'-P energy: -166.133
tors. eta vs tors. theta energy: -90.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -977.953771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.953771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.953771 (E_RNA)
where:
Base-Base interactions energy: -435.918
where: short stacking energy: -380.806
Base-Backbone interact. energy: -1.490
local terms energy: -540.546247
where:
bonds (distance) C4'-P energy: -129.020
bonds (distance) P-C4' energy: -114.015
flat angles C4'-P-C4' energy: -123.762
flat angles P-C4'-P energy: -84.468
tors. eta vs tors. theta energy: -89.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -885.007838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.007838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.007838 (E_RNA)
where:
Base-Base interactions energy: -368.124
where: short stacking energy: -334.656
Base-Backbone interact. energy: 0.483
local terms energy: -517.365849
where:
bonds (distance) C4'-P energy: -125.816
bonds (distance) P-C4' energy: -118.775
flat angles C4'-P-C4' energy: -127.051
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -75.044
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: 3
Temperature: 1.000000
Total energy: -847.481287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.481287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.481287 (E_RNA)
where:
Base-Base interactions energy: -360.637
where: short stacking energy: -337.320
Base-Backbone interact. energy: -0.510
local terms energy: -486.334225
where:
bonds (distance) C4'-P energy: -107.815
bonds (distance) P-C4' energy: -117.712
flat angles C4'-P-C4' energy: -118.638
flat angles P-C4'-P energy: -67.411
tors. eta vs tors. theta energy: -74.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -765.062303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.062303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.062303 (E_RNA)
where:
Base-Base interactions energy: -303.263
where: short stacking energy: -274.647
Base-Backbone interact. energy: 0.516
local terms energy: -462.315342
where:
bonds (distance) C4'-P energy: -106.029
bonds (distance) P-C4' energy: -116.165
flat angles C4'-P-C4' energy: -127.401
flat angles P-C4'-P energy: -65.196
tors. eta vs tors. theta energy: -47.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -718.544427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.544427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.544427 (E_RNA)
where:
Base-Base interactions energy: -283.093
where: short stacking energy: -255.878
Base-Backbone interact. energy: -0.899
local terms energy: -434.551881
where:
bonds (distance) C4'-P energy: -114.683
bonds (distance) P-C4' energy: -114.488
flat angles C4'-P-C4' energy: -84.026
flat angles P-C4'-P energy: -74.555
tors. eta vs tors. theta energy: -46.799
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -671.328801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.328801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.328801 (E_RNA)
where:
Base-Base interactions energy: -250.839
where: short stacking energy: -216.643
Base-Backbone interact. energy: -0.235
local terms energy: -420.254907
where:
bonds (distance) C4'-P energy: -120.044
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -94.589
flat angles P-C4'-P energy: -63.612
tors. eta vs tors. theta energy: -34.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -614.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.242161 (E_RNA)
where:
Base-Base interactions energy: -233.870
where: short stacking energy: -188.950
Base-Backbone interact. energy: 1.827
local terms energy: -382.198955
where:
bonds (distance) C4'-P energy: -110.603
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -100.200
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -567.536832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.536832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.536832 (E_RNA)
where:
Base-Base interactions energy: -209.072
where: short stacking energy: -189.132
Base-Backbone interact. energy: 1.209
local terms energy: -359.674410
where:
bonds (distance) C4'-P energy: -117.504
bonds (distance) P-C4' energy: -97.139
flat angles C4'-P-C4' energy: -89.377
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -505.616741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.616741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.616741 (E_RNA)
where:
Base-Base interactions energy: -164.753
where: short stacking energy: -153.079
Base-Backbone interact. energy: 0.130
local terms energy: -340.994389
where:
bonds (distance) C4'-P energy: -93.220
bonds (distance) P-C4' energy: -106.428
flat angles C4'-P-C4' energy: -95.537
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -476.324361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.324361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.324361 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -130.226
Base-Backbone interact. energy: -1.169
local terms energy: -324.775520
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -107.193
flat angles C4'-P-C4' energy: -82.069
flat angles P-C4'-P energy: -57.971
tors. eta vs tors. theta energy: 7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1101.714117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.714117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.714117 (E_RNA)
where:
Base-Base interactions energy: -556.510
where: short stacking energy: -405.334
Base-Backbone interact. energy: 0.448
local terms energy: -545.651722
where:
bonds (distance) C4'-P energy: -105.953
bonds (distance) P-C4' energy: -135.044
flat angles C4'-P-C4' energy: -125.910
flat angles P-C4'-P energy: -77.531
tors. eta vs tors. theta energy: -101.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -968.001447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.001447 (E_RNA)
where:
Base-Base interactions energy: -455.085
where: short stacking energy: -381.498
Base-Backbone interact. energy: -2.012
local terms energy: -510.904608
where:
bonds (distance) C4'-P energy: -102.300
bonds (distance) P-C4' energy: -120.654
flat angles C4'-P-C4' energy: -126.071
flat angles P-C4'-P energy: -82.416
tors. eta vs tors. theta energy: -79.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -926.286994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.286994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.286994 (E_RNA)
where:
Base-Base interactions energy: -400.859
where: short stacking energy: -343.450
Base-Backbone interact. energy: -0.470
local terms energy: -524.957777
where:
bonds (distance) C4'-P energy: -125.931
bonds (distance) P-C4' energy: -112.494
flat angles C4'-P-C4' energy: -121.263
flat angles P-C4'-P energy: -85.934
tors. eta vs tors. theta energy: -79.337
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -812.939181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.939181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.939181 (E_RNA)
where:
Base-Base interactions energy: -350.070
where: short stacking energy: -283.630
Base-Backbone interact. energy: -0.126
local terms energy: -462.743570
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -125.894
flat angles C4'-P-C4' energy: -106.621
flat angles P-C4'-P energy: -87.438
tors. eta vs tors. theta energy: -36.832
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: 4
Temperature: 1.100000
Total energy: -778.412125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.412125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.412125 (E_RNA)
where:
Base-Base interactions energy: -348.242
where: short stacking energy: -265.202
Base-Backbone interact. energy: 1.332
local terms energy: -431.502123
where:
bonds (distance) C4'-P energy: -115.652
bonds (distance) P-C4' energy: -115.125
flat angles C4'-P-C4' energy: -94.408
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -725.537625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.537625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.537625 (E_RNA)
where:
Base-Base interactions energy: -317.035
where: short stacking energy: -197.571
Base-Backbone interact. energy: -2.858
local terms energy: -405.644530
where:
bonds (distance) C4'-P energy: -93.818
bonds (distance) P-C4' energy: -109.818
flat angles C4'-P-C4' energy: -120.072
flat angles P-C4'-P energy: -70.918
tors. eta vs tors. theta energy: -11.018
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -578.703664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.703664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.703664 (E_RNA)
where:
Base-Base interactions energy: -178.254
where: short stacking energy: -145.455
Base-Backbone interact. energy: -2.500
local terms energy: -397.949029
where:
bonds (distance) C4'-P energy: -110.278
bonds (distance) P-C4' energy: -121.382
flat angles C4'-P-C4' energy: -96.101
flat angles P-C4'-P energy: -71.169
tors. eta vs tors. theta energy: 0.981
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -565.728066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.728066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.728066 (E_RNA)
where:
Base-Base interactions energy: -228.912
where: short stacking energy: -146.397
Base-Backbone interact. energy: -1.008
local terms energy: -335.808151
where:
bonds (distance) C4'-P energy: -111.809
bonds (distance) P-C4' energy: -114.352
flat angles C4'-P-C4' energy: -86.371
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: 12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -576.461422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.461422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.461422 (E_RNA)
where:
Base-Base interactions energy: -234.991
where: short stacking energy: -184.402
Base-Backbone interact. energy: -3.067
local terms energy: -338.404008
where:
bonds (distance) C4'-P energy: -93.720
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -93.901
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -3.038
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -483.907347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.907347 (E_RNA)
where:
Base-Base interactions energy: -154.808
where: short stacking energy: -139.584
Base-Backbone interact. energy: -1.243
local terms energy: -327.857063
where:
bonds (distance) C4'-P energy: -102.225
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -90.431
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: 11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1123.065647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.065647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.065647 (E_RNA)
where:
Base-Base interactions energy: -532.330
where: short stacking energy: -432.122
Base-Backbone interact. energy: -0.008
local terms energy: -590.728037
where:
bonds (distance) C4'-P energy: -116.151
bonds (distance) P-C4' energy: -128.528
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -91.924
tors. eta vs tors. theta energy: -112.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1004.671672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.671672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.671672 (E_RNA)
where:
Base-Base interactions energy: -501.560
where: short stacking energy: -355.954
Base-Backbone interact. energy: -3.879
local terms energy: -499.232977
where:
bonds (distance) C4'-P energy: -111.710
bonds (distance) P-C4' energy: -125.206
flat angles C4'-P-C4' energy: -127.503
flat angles P-C4'-P energy: -70.636
tors. eta vs tors. theta energy: -64.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -923.133754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.133754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.133754 (E_RNA)
where:
Base-Base interactions energy: -418.714
where: short stacking energy: -346.828
Base-Backbone interact. energy: 0.089
local terms energy: -504.508121
where:
bonds (distance) C4'-P energy: -110.213
bonds (distance) P-C4' energy: -114.433
flat angles C4'-P-C4' energy: -117.713
flat angles P-C4'-P energy: -87.807
tors. eta vs tors. theta energy: -74.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -859.216999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.216999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.216999 (E_RNA)
where:
Base-Base interactions energy: -372.894
where: short stacking energy: -291.208
Base-Backbone interact. energy: -1.021
local terms energy: -485.302189
where:
bonds (distance) C4'-P energy: -115.508
bonds (distance) P-C4' energy: -124.947
flat angles C4'-P-C4' energy: -109.010
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -62.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -703.089690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.089690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.089690 (E_RNA)
where:
Base-Base interactions energy: -291.863
where: short stacking energy: -254.381
Base-Backbone interact. energy: -1.148
local terms energy: -410.078392
where:
bonds (distance) C4'-P energy: -100.893
bonds (distance) P-C4' energy: -101.485
flat angles C4'-P-C4' energy: -118.211
flat angles P-C4'-P energy: -54.428
tors. eta vs tors. theta energy: -35.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -637.602669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.602669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.602669 (E_RNA)
where:
Base-Base interactions energy: -245.969
where: short stacking energy: -220.232
Base-Backbone interact. energy: -1.742
local terms energy: -389.891638
where:
bonds (distance) C4'-P energy: -102.830
bonds (distance) P-C4' energy: -110.653
flat angles C4'-P-C4' energy: -87.940
flat angles P-C4'-P energy: -65.274
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -602.031994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.031994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.031994 (E_RNA)
where:
Base-Base interactions energy: -206.750
where: short stacking energy: -180.631
Base-Backbone interact. energy: 4.097
local terms energy: -399.378740
where:
bonds (distance) C4'-P energy: -104.403
bonds (distance) P-C4' energy: -128.139
flat angles C4'-P-C4' energy: -97.717
flat angles P-C4'-P energy: -66.671
tors. eta vs tors. theta energy: -2.449
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -611.485442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.485442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.485442 (E_RNA)
where:
Base-Base interactions energy: -244.606
where: short stacking energy: -182.861
Base-Backbone interact. energy: -1.189
local terms energy: -365.691002
where:
bonds (distance) C4'-P energy: -99.240
bonds (distance) P-C4' energy: -112.311
flat angles C4'-P-C4' energy: -84.457
flat angles P-C4'-P energy: -64.319
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -532.140114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.140114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.140114 (E_RNA)
where:
Base-Base interactions energy: -194.534
where: short stacking energy: -127.700
Base-Backbone interact. energy: -2.671
local terms energy: -334.935540
where:
bonds (distance) C4'-P energy: -92.383
bonds (distance) P-C4' energy: -109.043
flat angles C4'-P-C4' energy: -76.299
flat angles P-C4'-P energy: -61.781
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -466.615580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.615580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.615580 (E_RNA)
where:
Base-Base interactions energy: -159.503
where: short stacking energy: -141.088
Base-Backbone interact. energy: 0.951
local terms energy: -308.063730
where:
bonds (distance) C4'-P energy: -96.052
bonds (distance) P-C4' energy: -97.464
flat angles C4'-P-C4' energy: -66.255
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: 6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1142.370160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.370160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.370160 (E_RNA)
where:
Base-Base interactions energy: -587.631
where: short stacking energy: -441.373
Base-Backbone interact. energy: 0.893
local terms energy: -555.631513
where:
bonds (distance) C4'-P energy: -125.076
bonds (distance) P-C4' energy: -119.625
flat angles C4'-P-C4' energy: -129.578
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -101.392
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1090.303366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.303366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.303366 (E_RNA)
where:
Base-Base interactions energy: -573.939
where: short stacking energy: -372.347
Base-Backbone interact. energy: -0.627
local terms energy: -515.738238
where:
bonds (distance) C4'-P energy: -122.102
bonds (distance) P-C4' energy: -112.592
flat angles C4'-P-C4' energy: -125.165
flat angles P-C4'-P energy: -82.825
tors. eta vs tors. theta energy: -73.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1011.337366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.337366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.337366 (E_RNA)
where:
Base-Base interactions energy: -519.761
where: short stacking energy: -325.764
Base-Backbone interact. energy: -2.792
local terms energy: -488.784510
where:
bonds (distance) C4'-P energy: -120.164
bonds (distance) P-C4' energy: -115.121
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -72.536
tors. eta vs tors. theta energy: -64.112
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -956.428169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.428169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.428169 (E_RNA)
where:
Base-Base interactions energy: -483.664
where: short stacking energy: -278.862
Base-Backbone interact. energy: 0.850
local terms energy: -473.613635
where:
bonds (distance) C4'-P energy: -120.514
bonds (distance) P-C4' energy: -121.628
flat angles C4'-P-C4' energy: -119.176
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -53.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -732.198689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.198689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.198689 (E_RNA)
where:
Base-Base interactions energy: -302.910
where: short stacking energy: -245.782
Base-Backbone interact. energy: -2.553
local terms energy: -426.736426
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -100.231
flat angles P-C4'-P energy: -67.012
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -732.983868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.983868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.983868 (E_RNA)
where:
Base-Base interactions energy: -330.441
where: short stacking energy: -243.171
Base-Backbone interact. energy: -0.444
local terms energy: -402.098449
where:
bonds (distance) C4'-P energy: -101.444
bonds (distance) P-C4' energy: -119.161
flat angles C4'-P-C4' energy: -102.647
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -28.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -687.864132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.864132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.864132 (E_RNA)
where:
Base-Base interactions energy: -332.724
where: short stacking energy: -205.836
Base-Backbone interact. energy: -0.072
local terms energy: -355.067954
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -103.978
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -542.260625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.260625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.260625 (E_RNA)
where:
Base-Base interactions energy: -193.551
where: short stacking energy: -157.367
Base-Backbone interact. energy: 5.618
local terms energy: -354.326781
where:
bonds (distance) C4'-P energy: -105.058
bonds (distance) P-C4' energy: -99.979
flat angles C4'-P-C4' energy: -89.410
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: 8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -488.613412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.613412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.613412 (E_RNA)
where:
Base-Base interactions energy: -196.579
where: short stacking energy: -152.132
Base-Backbone interact. energy: 3.385
local terms energy: -295.419699
where:
bonds (distance) C4'-P energy: -85.687
bonds (distance) P-C4' energy: -112.260
flat angles C4'-P-C4' energy: -87.018
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: 28.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -465.414905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.414905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.414905 (E_RNA)
where:
Base-Base interactions energy: -124.244
where: short stacking energy: -99.693
Base-Backbone interact. energy: -1.790
local terms energy: -339.381763
where:
bonds (distance) C4'-P energy: -92.910
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -84.881
flat angles P-C4'-P energy: -67.609
tors. eta vs tors. theta energy: 9.626
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: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1140.902054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.902054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.902054 (E_RNA)
where:
Base-Base interactions energy: -584.948
where: short stacking energy: -418.299
Base-Backbone interact. energy: -1.592
local terms energy: -554.361784
where:
bonds (distance) C4'-P energy: -122.146
bonds (distance) P-C4' energy: -131.144
flat angles C4'-P-C4' energy: -126.062
flat angles P-C4'-P energy: -74.031
tors. eta vs tors. theta energy: -100.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1179.463144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.463144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.463144 (E_RNA)
where:
Base-Base interactions energy: -650.101
where: short stacking energy: -409.797
Base-Backbone interact. energy: -2.860
local terms energy: -526.501640
where:
bonds (distance) C4'-P energy: -109.061
bonds (distance) P-C4' energy: -120.697
flat angles C4'-P-C4' energy: -130.670
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -89.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1052.517170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.517170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.517170 (E_RNA)
where:
Base-Base interactions energy: -548.383
where: short stacking energy: -340.737
Base-Backbone interact. energy: -0.550
local terms energy: -503.584241
where:
bonds (distance) C4'-P energy: -124.635
bonds (distance) P-C4' energy: -127.703
flat angles C4'-P-C4' energy: -111.720
flat angles P-C4'-P energy: -70.606
tors. eta vs tors. theta energy: -68.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1070.889203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.889203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.889203 (E_RNA)
where:
Base-Base interactions energy: -603.080
where: short stacking energy: -369.877
Base-Backbone interact. energy: -2.017
local terms energy: -465.792357
where:
bonds (distance) C4'-P energy: -107.130
bonds (distance) P-C4' energy: -105.549
flat angles C4'-P-C4' energy: -116.827
flat angles P-C4'-P energy: -61.990
tors. eta vs tors. theta energy: -74.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -750.070559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.070559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.070559 (E_RNA)
where:
Base-Base interactions energy: -327.316
where: short stacking energy: -252.159
Base-Backbone interact. energy: -1.568
local terms energy: -421.186515
where:
bonds (distance) C4'-P energy: -96.870
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -100.145
flat angles P-C4'-P energy: -84.135
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -800.812967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.812967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.812967 (E_RNA)
where:
Base-Base interactions energy: -409.534
where: short stacking energy: -272.324
Base-Backbone interact. energy: -1.795
local terms energy: -389.484064
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -101.197
flat angles C4'-P-C4' energy: -99.126
flat angles P-C4'-P energy: -54.153
tors. eta vs tors. theta energy: -40.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -715.308540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.308540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.308540 (E_RNA)
where:
Base-Base interactions energy: -318.211
where: short stacking energy: -234.791
Base-Backbone interact. energy: -0.122
local terms energy: -396.975167
where:
bonds (distance) C4'-P energy: -95.662
bonds (distance) P-C4' energy: -116.720
flat angles C4'-P-C4' energy: -97.398
flat angles P-C4'-P energy: -54.888
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -674.478746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.478746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.478746 (E_RNA)
where:
Base-Base interactions energy: -318.147
where: short stacking energy: -221.700
Base-Backbone interact. energy: -0.709
local terms energy: -355.623339
where:
bonds (distance) C4'-P energy: -113.006
bonds (distance) P-C4' energy: -84.924
flat angles C4'-P-C4' energy: -99.223
flat angles P-C4'-P energy: -53.660
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -519.334332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.334332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.334332 (E_RNA)
where:
Base-Base interactions energy: -197.947
where: short stacking energy: -136.947
Base-Backbone interact. energy: -2.825
local terms energy: -318.562849
where:
bonds (distance) C4'-P energy: -92.376
bonds (distance) P-C4' energy: -111.730
flat angles C4'-P-C4' energy: -81.113
flat angles P-C4'-P energy: -50.067
tors. eta vs tors. theta energy: 16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -452.447423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.447423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.447423 (E_RNA)
where:
Base-Base interactions energy: -168.010
where: short stacking energy: -139.221
Base-Backbone interact. energy: 0.661
local terms energy: -285.098167
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -113.171
flat angles C4'-P-C4' energy: -72.095
flat angles P-C4'-P energy: -54.393
tors. eta vs tors. theta energy: 31.514
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1171.063794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.063794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.063794 (E_RNA)
where:
Base-Base interactions energy: -608.060
where: short stacking energy: -409.793
Base-Backbone interact. energy: -0.838
local terms energy: -562.166548
where:
bonds (distance) C4'-P energy: -121.255
bonds (distance) P-C4' energy: -129.816
flat angles C4'-P-C4' energy: -124.141
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -105.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1210.740977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.740977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.740977 (E_RNA)
where:
Base-Base interactions energy: -664.909
where: short stacking energy: -400.773
Base-Backbone interact. energy: -0.968
local terms energy: -544.864059
where:
bonds (distance) C4'-P energy: -118.369
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -123.138
flat angles P-C4'-P energy: -91.262
tors. eta vs tors. theta energy: -94.131
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: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1084.579028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.579028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.579028 (E_RNA)
where:
Base-Base interactions energy: -578.387
where: short stacking energy: -341.479
Base-Backbone interact. energy: -0.411
local terms energy: -505.780584
where:
bonds (distance) C4'-P energy: -127.444
bonds (distance) P-C4' energy: -122.448
flat angles C4'-P-C4' energy: -114.138
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -66.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1068.756113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.756113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.756113 (E_RNA)
where:
Base-Base interactions energy: -605.664
where: short stacking energy: -339.949
Base-Backbone interact. energy: 3.510
local terms energy: -466.602091
where:
bonds (distance) C4'-P energy: -103.802
bonds (distance) P-C4' energy: -126.773
flat angles C4'-P-C4' energy: -97.370
flat angles P-C4'-P energy: -68.238
tors. eta vs tors. theta energy: -70.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -812.088787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.088787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.088787 (E_RNA)
where:
Base-Base interactions energy: -389.606
where: short stacking energy: -258.407
Base-Backbone interact. energy: 1.614
local terms energy: -424.095910
where:
bonds (distance) C4'-P energy: -108.842
bonds (distance) P-C4' energy: -117.241
flat angles C4'-P-C4' energy: -109.204
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -832.144137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.144137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.144137 (E_RNA)
where:
Base-Base interactions energy: -418.530
where: short stacking energy: -232.495
Base-Backbone interact. energy: -0.224
local terms energy: -413.389594
where:
bonds (distance) C4'-P energy: -102.540
bonds (distance) P-C4' energy: -121.462
flat angles C4'-P-C4' energy: -107.694
flat angles P-C4'-P energy: -54.041
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -690.273549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.273549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.273549 (E_RNA)
where:
Base-Base interactions energy: -297.179
where: short stacking energy: -218.091
Base-Backbone interact. energy: -2.287
local terms energy: -390.807494
where:
bonds (distance) C4'-P energy: -103.497
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -109.320
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -26.316
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -568.905620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.905620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.905620 (E_RNA)
where:
Base-Base interactions energy: -255.633
where: short stacking energy: -176.236
Base-Backbone interact. energy: -0.920
local terms energy: -312.353279
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -91.030
flat angles C4'-P-C4' energy: -81.438
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: 0.383
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -521.750816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.750816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.750816 (E_RNA)
where:
Base-Base interactions energy: -183.543
where: short stacking energy: -126.941
Base-Backbone interact. energy: 0.630
local terms energy: -338.837977
where:
bonds (distance) C4'-P energy: -88.484
bonds (distance) P-C4' energy: -126.244
flat angles C4'-P-C4' energy: -100.506
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: 16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -451.968382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.968382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.968382 (E_RNA)
where:
Base-Base interactions energy: -151.045
where: short stacking energy: -113.714
Base-Backbone interact. energy: -0.028
local terms energy: -300.896254
where:
bonds (distance) C4'-P energy: -80.444
bonds (distance) P-C4' energy: -107.087
flat angles C4'-P-C4' energy: -91.337
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: 24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1201.681868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.681868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.681868 (E_RNA)
where:
Base-Base interactions energy: -625.285
where: short stacking energy: -388.823
Base-Backbone interact. energy: -0.738
local terms energy: -575.658440
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -135.727
flat angles C4'-P-C4' energy: -127.031
flat angles P-C4'-P energy: -78.926
tors. eta vs tors. theta energy: -98.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1227.374797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.374797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.374797 (E_RNA)
where:
Base-Base interactions energy: -680.039
where: short stacking energy: -385.400
Base-Backbone interact. energy: 1.176
local terms energy: -548.511026
where:
bonds (distance) C4'-P energy: -132.296
bonds (distance) P-C4' energy: -128.936
flat angles C4'-P-C4' energy: -118.792
flat angles P-C4'-P energy: -85.284
tors. eta vs tors. theta energy: -83.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1116.669072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.669072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.669072 (E_RNA)
where:
Base-Base interactions energy: -617.568
where: short stacking energy: -354.668
Base-Backbone interact. energy: -1.679
local terms energy: -497.422402
where:
bonds (distance) C4'-P energy: -110.791
bonds (distance) P-C4' energy: -125.108
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -80.515
tors. eta vs tors. theta energy: -72.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1190.255966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.255966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.255966 (E_RNA)
where:
Base-Base interactions energy: -698.419
where: short stacking energy: -375.286
Base-Backbone interact. energy: -1.141
local terms energy: -490.696053
where:
bonds (distance) C4'-P energy: -109.020
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -124.368
flat angles P-C4'-P energy: -62.515
tors. eta vs tors. theta energy: -85.842
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: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -817.788617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.788617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.788617 (E_RNA)
where:
Base-Base interactions energy: -391.192
where: short stacking energy: -264.861
Base-Backbone interact. energy: -1.840
local terms energy: -424.757067
where:
bonds (distance) C4'-P energy: -116.215
bonds (distance) P-C4' energy: -115.765
flat angles C4'-P-C4' energy: -112.674
flat angles P-C4'-P energy: -52.427
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -783.013737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.013737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.013737 (E_RNA)
where:
Base-Base interactions energy: -361.926
where: short stacking energy: -229.569
Base-Backbone interact. energy: -0.915
local terms energy: -420.172403
where:
bonds (distance) C4'-P energy: -111.004
bonds (distance) P-C4' energy: -109.124
flat angles C4'-P-C4' energy: -107.900
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -28.398
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -744.191584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.191584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.191584 (E_RNA)
where:
Base-Base interactions energy: -335.550
where: short stacking energy: -224.979
Base-Backbone interact. energy: 0.389
local terms energy: -409.030208
where:
bonds (distance) C4'-P energy: -97.767
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -102.174
flat angles P-C4'-P energy: -74.123
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -644.810199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.810199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.810199 (E_RNA)
where:
Base-Base interactions energy: -257.984
where: short stacking energy: -187.919
Base-Backbone interact. energy: -1.055
local terms energy: -385.771317
where:
bonds (distance) C4'-P energy: -118.091
bonds (distance) P-C4' energy: -129.811
flat angles C4'-P-C4' energy: -105.014
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -511.515508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.515508 (E_RNA)
where:
Base-Base interactions energy: -194.248
where: short stacking energy: -146.099
Base-Backbone interact. energy: 2.005
local terms energy: -319.272498
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -101.579
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: 21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -511.798897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.798897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.798897 (E_RNA)
where:
Base-Base interactions energy: -189.878
where: short stacking energy: -127.537
Base-Backbone interact. energy: -3.210
local terms energy: -318.711364
where:
bonds (distance) C4'-P energy: -92.976
bonds (distance) P-C4' energy: -115.810
flat angles C4'-P-C4' energy: -97.582
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: 21.904
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: 10
Temperature: 0.900000
Total energy: -1411.222477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.222477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.222477 (E_RNA)
where:
Base-Base interactions energy: -804.014
where: short stacking energy: -459.386
Base-Backbone interact. energy: -0.311
local terms energy: -606.896679
where:
bonds (distance) C4'-P energy: -120.796
bonds (distance) P-C4' energy: -127.332
flat angles C4'-P-C4' energy: -133.795
flat angles P-C4'-P energy: -99.592
tors. eta vs tors. theta energy: -125.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1183.614421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.614421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.614421 (E_RNA)
where:
Base-Base interactions energy: -630.244
where: short stacking energy: -388.386
Base-Backbone interact. energy: 1.684
local terms energy: -555.054448
where:
bonds (distance) C4'-P energy: -128.898
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -81.573
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1291.517792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.517792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.517792 (E_RNA)
where:
Base-Base interactions energy: -749.640
where: short stacking energy: -376.555
Base-Backbone interact. energy: -1.894
local terms energy: -539.983761
where:
bonds (distance) C4'-P energy: -118.179
bonds (distance) P-C4' energy: -109.533
flat angles C4'-P-C4' energy: -133.786
flat angles P-C4'-P energy: -84.188
tors. eta vs tors. theta energy: -94.297
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1129.615679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.615679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.615679 (E_RNA)
where:
Base-Base interactions energy: -631.230
where: short stacking energy: -321.978
Base-Backbone interact. energy: -0.382
local terms energy: -498.003725
where:
bonds (distance) C4'-P energy: -112.067
bonds (distance) P-C4' energy: -128.716
flat angles C4'-P-C4' energy: -123.224
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -56.384
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: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -896.545192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.545192 (E_RNA)
where:
Base-Base interactions energy: -453.626
where: short stacking energy: -268.861
Base-Backbone interact. energy: -2.438
local terms energy: -440.480932
where:
bonds (distance) C4'-P energy: -114.896
bonds (distance) P-C4' energy: -112.501
flat angles C4'-P-C4' energy: -104.521
flat angles P-C4'-P energy: -72.373
tors. eta vs tors. theta energy: -36.190
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -939.546989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.546989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.546989 (E_RNA)
where:
Base-Base interactions energy: -519.378
where: short stacking energy: -248.795
Base-Backbone interact. energy: 1.150
local terms energy: -421.318708
where:
bonds (distance) C4'-P energy: -114.204
bonds (distance) P-C4' energy: -95.107
flat angles C4'-P-C4' energy: -95.404
flat angles P-C4'-P energy: -81.294
tors. eta vs tors. theta energy: -35.310
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: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -735.436573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.436573 (E_RNA)
where:
Base-Base interactions energy: -350.650
where: short stacking energy: -226.028
Base-Backbone interact. energy: 2.188
local terms energy: -386.975121
where:
bonds (distance) C4'-P energy: -98.820
bonds (distance) P-C4' energy: -105.535
flat angles C4'-P-C4' energy: -95.127
flat angles P-C4'-P energy: -64.581
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -586.392167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.392167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.392167 (E_RNA)
where:
Base-Base interactions energy: -208.974
where: short stacking energy: -180.782
Base-Backbone interact. energy: -2.450
local terms energy: -374.968143
where:
bonds (distance) C4'-P energy: -105.316
bonds (distance) P-C4' energy: -120.524
flat angles C4'-P-C4' energy: -101.125
flat angles P-C4'-P energy: -49.970
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -525.526353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.526353 (E_RNA)
where:
Base-Base interactions energy: -206.831
where: short stacking energy: -126.062
Base-Backbone interact. energy: -3.325
local terms energy: -315.370833
where:
bonds (distance) C4'-P energy: -94.659
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -83.031
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: 4.475
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -478.864647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.864647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.864647 (E_RNA)
where:
Base-Base interactions energy: -179.729
where: short stacking energy: -150.316
Base-Backbone interact. energy: -1.755
local terms energy: -297.380246
where:
bonds (distance) C4'-P energy: -109.530
bonds (distance) P-C4' energy: -94.123
flat angles C4'-P-C4' energy: -79.518
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: 23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1426.635259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.635259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.635259 (E_RNA)
where:
Base-Base interactions energy: -846.316
where: short stacking energy: -453.188
Base-Backbone interact. energy: -4.200
local terms energy: -576.119189
where:
bonds (distance) C4'-P energy: -130.466
bonds (distance) P-C4' energy: -128.851
flat angles C4'-P-C4' energy: -127.198
flat angles P-C4'-P energy: -79.090
tors. eta vs tors. theta energy: -110.514
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: 11
Temperature: 0.950000
Total energy: -1448.486018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.486018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.486018 (E_RNA)
where:
Base-Base interactions energy: -858.703
where: short stacking energy: -407.424
Base-Backbone interact. energy: -2.860
local terms energy: -586.923253
where:
bonds (distance) C4'-P energy: -121.940
bonds (distance) P-C4' energy: -129.483
flat angles C4'-P-C4' energy: -131.768
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -113.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1145.513323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.513323 (E_RNA)
where:
Base-Base interactions energy: -632.919
where: short stacking energy: -358.766
Base-Backbone interact. energy: -1.424
local terms energy: -511.169778
where:
bonds (distance) C4'-P energy: -110.026
bonds (distance) P-C4' energy: -128.966
flat angles C4'-P-C4' energy: -110.138
flat angles P-C4'-P energy: -71.326
tors. eta vs tors. theta energy: -90.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1151.557635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.557635 (E_RNA)
where:
Base-Base interactions energy: -648.881
where: short stacking energy: -351.327
Base-Backbone interact. energy: 0.753
local terms energy: -503.429847
where:
bonds (distance) C4'-P energy: -115.323
bonds (distance) P-C4' energy: -120.710
flat angles C4'-P-C4' energy: -102.218
flat angles P-C4'-P energy: -78.961
tors. eta vs tors. theta energy: -86.217
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: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1058.420995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.420995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.420995 (E_RNA)
where:
Base-Base interactions energy: -576.843
where: short stacking energy: -305.932
Base-Backbone interact. energy: 0.162
local terms energy: -481.740117
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -123.880
flat angles C4'-P-C4' energy: -111.647
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -54.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1044.109040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.109040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.109040 (E_RNA)
where:
Base-Base interactions energy: -572.254
where: short stacking energy: -306.889
Base-Backbone interact. energy: -1.447
local terms energy: -470.408687
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -127.699
flat angles C4'-P-C4' energy: -101.970
flat angles P-C4'-P energy: -76.391
tors. eta vs tors. theta energy: -62.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -705.889636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.889636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.889636 (E_RNA)
where:
Base-Base interactions energy: -309.420
where: short stacking energy: -197.427
Base-Backbone interact. energy: 0.877
local terms energy: -397.346379
where:
bonds (distance) C4'-P energy: -107.663
bonds (distance) P-C4' energy: -106.957
flat angles C4'-P-C4' energy: -110.579
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -640.440320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.440320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.440320 (E_RNA)
where:
Base-Base interactions energy: -290.075
where: short stacking energy: -176.536
Base-Backbone interact. energy: 2.147
local terms energy: -352.512241
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -104.876
flat angles C4'-P-C4' energy: -86.585
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: 6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -496.698876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.698876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.698876 (E_RNA)
where:
Base-Base interactions energy: -158.395
where: short stacking energy: -149.333
Base-Backbone interact. energy: 0.719
local terms energy: -339.023178
where:
bonds (distance) C4'-P energy: -97.129
bonds (distance) P-C4' energy: -102.468
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -67.472
tors. eta vs tors. theta energy: 1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -478.294185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.294185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.294185 (E_RNA)
where:
Base-Base interactions energy: -159.472
where: short stacking energy: -131.831
Base-Backbone interact. energy: 1.154
local terms energy: -319.976547
where:
bonds (distance) C4'-P energy: -96.270
bonds (distance) P-C4' energy: -109.456
flat angles C4'-P-C4' energy: -74.990
flat angles P-C4'-P energy: -62.192
tors. eta vs tors. theta energy: 22.932
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1536.711682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.711682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.711682 (E_RNA)
where:
Base-Base interactions energy: -934.419
where: short stacking energy: -454.459
Base-Backbone interact. energy: 0.028
local terms energy: -602.320237
where:
bonds (distance) C4'-P energy: -116.936
bonds (distance) P-C4' energy: -141.245
flat angles C4'-P-C4' energy: -129.083
flat angles P-C4'-P energy: -94.620
tors. eta vs tors. theta energy: -120.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1426.159035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.159035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.159035 (E_RNA)
where:
Base-Base interactions energy: -857.896
where: short stacking energy: -470.034
Base-Backbone interact. energy: -0.435
local terms energy: -567.828049
where:
bonds (distance) C4'-P energy: -117.783
bonds (distance) P-C4' energy: -109.795
flat angles C4'-P-C4' energy: -124.462
flat angles P-C4'-P energy: -81.941
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: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1223.849878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.849878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.849878 (E_RNA)
where:
Base-Base interactions energy: -698.901
where: short stacking energy: -392.296
Base-Backbone interact. energy: -3.170
local terms energy: -521.778891
where:
bonds (distance) C4'-P energy: -117.829
bonds (distance) P-C4' energy: -114.257
flat angles C4'-P-C4' energy: -127.008
flat angles P-C4'-P energy: -71.334
tors. eta vs tors. theta energy: -91.351
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1169.092209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.092209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.092209 (E_RNA)
where:
Base-Base interactions energy: -665.239
where: short stacking energy: -359.691
Base-Backbone interact. energy: -3.775
local terms energy: -500.078302
where:
bonds (distance) C4'-P energy: -120.424
bonds (distance) P-C4' energy: -115.718
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: -81.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1139.467225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.467225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.467225 (E_RNA)
where:
Base-Base interactions energy: -640.262
where: short stacking energy: -315.460
Base-Backbone interact. energy: -0.163
local terms energy: -499.042480
where:
bonds (distance) C4'-P energy: -108.881
bonds (distance) P-C4' energy: -120.625
flat angles C4'-P-C4' energy: -114.959
flat angles P-C4'-P energy: -84.124
tors. eta vs tors. theta energy: -70.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -956.533582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.533582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.533582 (E_RNA)
where:
Base-Base interactions energy: -524.493
where: short stacking energy: -275.630
Base-Backbone interact. energy: 0.576
local terms energy: -432.616953
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -116.715
flat angles C4'-P-C4' energy: -118.243
flat angles P-C4'-P energy: -61.532
tors. eta vs tors. theta energy: -42.839
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: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -666.162716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.162716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.162716 (E_RNA)
where:
Base-Base interactions energy: -289.257
where: short stacking energy: -210.825
Base-Backbone interact. energy: 2.227
local terms energy: -379.132981
where:
bonds (distance) C4'-P energy: -106.051
bonds (distance) P-C4' energy: -119.268
flat angles C4'-P-C4' energy: -95.780
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -561.788425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.788425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.788425 (E_RNA)
where:
Base-Base interactions energy: -209.680
where: short stacking energy: -159.651
Base-Backbone interact. energy: 2.600
local terms energy: -354.708833
where:
bonds (distance) C4'-P energy: -104.523
bonds (distance) P-C4' energy: -114.552
flat angles C4'-P-C4' energy: -73.856
flat angles P-C4'-P energy: -57.183
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -488.368237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.368237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.368237 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -115.744
Base-Backbone interact. energy: -1.552
local terms energy: -339.211155
where:
bonds (distance) C4'-P energy: -98.343
bonds (distance) P-C4' energy: -109.407
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -61.646
tors. eta vs tors. theta energy: 16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -467.055212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.055212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.055212 (E_RNA)
where:
Base-Base interactions energy: -182.301
where: short stacking energy: -139.595
Base-Backbone interact. energy: 3.030
local terms energy: -287.784445
where:
bonds (distance) C4'-P energy: -102.130
bonds (distance) P-C4' energy: -99.305
flat angles C4'-P-C4' energy: -67.955
flat angles P-C4'-P energy: -32.759
tors. eta vs tors. theta energy: 14.364
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: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1571.378666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.378666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.378666 (E_RNA)
where:
Base-Base interactions energy: -971.328
where: short stacking energy: -493.730
Base-Backbone interact. energy: -2.726
local terms energy: -597.324951
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -124.080
flat angles C4'-P-C4' energy: -135.245
flat angles P-C4'-P energy: -90.398
tors. eta vs tors. theta energy: -131.979
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1387.662479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.662479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.662479 (E_RNA)
where:
Base-Base interactions energy: -828.421
where: short stacking energy: -433.699
Base-Backbone interact. energy: -1.875
local terms energy: -557.366081
where:
bonds (distance) C4'-P energy: -116.032
bonds (distance) P-C4' energy: -125.061
flat angles C4'-P-C4' energy: -121.909
flat angles P-C4'-P energy: -75.689
tors. eta vs tors. theta energy: -118.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1208.577049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.577049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.577049 (E_RNA)
where:
Base-Base interactions energy: -706.586
where: short stacking energy: -376.983
Base-Backbone interact. energy: -2.544
local terms energy: -499.447167
where:
bonds (distance) C4'-P energy: -114.256
bonds (distance) P-C4' energy: -118.760
flat angles C4'-P-C4' energy: -118.595
flat angles P-C4'-P energy: -70.784
tors. eta vs tors. theta energy: -77.052
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: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1363.186306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.186306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.186306 (E_RNA)
where:
Base-Base interactions energy: -852.818
where: short stacking energy: -407.222
Base-Backbone interact. energy: 0.669
local terms energy: -511.037562
where:
bonds (distance) C4'-P energy: -122.999
bonds (distance) P-C4' energy: -111.687
flat angles C4'-P-C4' energy: -110.962
flat angles P-C4'-P energy: -68.418
tors. eta vs tors. theta energy: -96.972
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: 13
Temperature: 1.100000
Total energy: -1093.534841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.534841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.534841 (E_RNA)
where:
Base-Base interactions energy: -638.240
where: short stacking energy: -336.832
Base-Backbone interact. energy: -0.333
local terms energy: -454.962000
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -108.968
flat angles C4'-P-C4' energy: -102.253
flat angles P-C4'-P energy: -83.494
tors. eta vs tors. theta energy: -62.620
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: 13
Temperature: 1.150000
Total energy: -930.764840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.764840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.764840 (E_RNA)
where:
Base-Base interactions energy: -532.852
where: short stacking energy: -286.081
Base-Backbone interact. energy: 4.279
local terms energy: -402.191961
where:
bonds (distance) C4'-P energy: -101.943
bonds (distance) P-C4' energy: -114.487
flat angles C4'-P-C4' energy: -97.057
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -44.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -643.386057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.386057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.386057 (E_RNA)
where:
Base-Base interactions energy: -305.061
where: short stacking energy: -211.841
Base-Backbone interact. energy: 4.922
local terms energy: -343.247021
where:
bonds (distance) C4'-P energy: -84.831
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -99.928
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -5.030
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -533.061874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.061874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.061874 (E_RNA)
where:
Base-Base interactions energy: -164.227
where: short stacking energy: -136.158
Base-Backbone interact. energy: -0.718
local terms energy: -368.116296
where:
bonds (distance) C4'-P energy: -113.125
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -108.143
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: 14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -503.811035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.811035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.811035 (E_RNA)
where:
Base-Base interactions energy: -176.105
where: short stacking energy: -160.396
Base-Backbone interact. energy: 1.630
local terms energy: -329.336783
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -97.294
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -66.131
tors. eta vs tors. theta energy: 12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -465.022301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.022301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.022301 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -122.865
Base-Backbone interact. energy: 0.958
local terms energy: -312.387882
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -90.080
flat angles C4'-P-C4' energy: -99.270
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: 13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1596.477731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.477731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.477731 (E_RNA)
where:
Base-Base interactions energy: -1003.073
where: short stacking energy: -490.201
Base-Backbone interact. energy: 0.460
local terms energy: -593.864664
where:
bonds (distance) C4'-P energy: -121.714
bonds (distance) P-C4' energy: -120.500
flat angles C4'-P-C4' energy: -126.453
flat angles P-C4'-P energy: -85.841
tors. eta vs tors. theta energy: -139.356
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: 14
Temperature: 0.950000
Total energy: -1403.281868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.281868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.281868 (E_RNA)
where:
Base-Base interactions energy: -842.442
where: short stacking energy: -436.784
Base-Backbone interact. energy: -1.756
local terms energy: -559.084466
where:
bonds (distance) C4'-P energy: -114.886
bonds (distance) P-C4' energy: -125.512
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -108.155
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: 3, replica: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1542.431394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.431394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.431394 (E_RNA)
where:
Base-Base interactions energy: -969.825
where: short stacking energy: -448.724
Base-Backbone interact. energy: -1.632
local terms energy: -570.973617
where:
bonds (distance) C4'-P energy: -124.362
bonds (distance) P-C4' energy: -123.305
flat angles C4'-P-C4' energy: -128.957
flat angles P-C4'-P energy: -85.422
tors. eta vs tors. theta energy: -108.928
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: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1216.915405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.915405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.915405 (E_RNA)
where:
Base-Base interactions energy: -720.508
where: short stacking energy: -383.335
Base-Backbone interact. energy: -1.130
local terms energy: -495.277362
where:
bonds (distance) C4'-P energy: -110.550
bonds (distance) P-C4' energy: -122.124
flat angles C4'-P-C4' energy: -120.622
flat angles P-C4'-P energy: -61.109
tors. eta vs tors. theta energy: -80.873
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1049.059848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.059848 (E_RNA)
where:
Base-Base interactions energy: -594.181
where: short stacking energy: -324.198
Base-Backbone interact. energy: -1.923
local terms energy: -452.955083
where:
bonds (distance) C4'-P energy: -120.977
bonds (distance) P-C4' energy: -102.457
flat angles C4'-P-C4' energy: -104.230
flat angles P-C4'-P energy: -58.396
tors. eta vs tors. theta energy: -66.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -936.548488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.548488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.548488 (E_RNA)
where:
Base-Base interactions energy: -491.928
where: short stacking energy: -252.309
Base-Backbone interact. energy: -2.549
local terms energy: -442.071182
where:
bonds (distance) C4'-P energy: -108.034
bonds (distance) P-C4' energy: -118.355
flat angles C4'-P-C4' energy: -102.315
flat angles P-C4'-P energy: -71.380
tors. eta vs tors. theta energy: -41.987
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -684.946581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.946581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.946581 (E_RNA)
where:
Base-Base interactions energy: -304.091
where: short stacking energy: -203.921
Base-Backbone interact. energy: -2.365
local terms energy: -378.490049
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -92.978
flat angles C4'-P-C4' energy: -100.004
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -581.805153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.805153 (E_RNA)
where:
Base-Base interactions energy: -226.147
where: short stacking energy: -165.452
Base-Backbone interact. energy: 2.488
local terms energy: -358.146686
where:
bonds (distance) C4'-P energy: -111.234
bonds (distance) P-C4' energy: -101.136
flat angles C4'-P-C4' energy: -86.815
flat angles P-C4'-P energy: -66.667
tors. eta vs tors. theta energy: 7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -532.653030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.653030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.653030 (E_RNA)
where:
Base-Base interactions energy: -196.184
where: short stacking energy: -153.636
Base-Backbone interact. energy: -1.172
local terms energy: -335.296696
where:
bonds (distance) C4'-P energy: -94.742
bonds (distance) P-C4' energy: -87.597
flat angles C4'-P-C4' energy: -102.965
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: 15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -539.283197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.283197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.283197 (E_RNA)
where:
Base-Base interactions energy: -215.059
where: short stacking energy: -142.484
Base-Backbone interact. energy: 1.130
local terms energy: -325.354653
where:
bonds (distance) C4'-P energy: -95.557
bonds (distance) P-C4' energy: -96.736
flat angles C4'-P-C4' energy: -91.399
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: 3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1582.193150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.193150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.193150 (E_RNA)
where:
Base-Base interactions energy: -995.966
where: short stacking energy: -506.138
Base-Backbone interact. energy: -0.338
local terms energy: -585.889654
where:
bonds (distance) C4'-P energy: -119.852
bonds (distance) P-C4' energy: -116.486
flat angles C4'-P-C4' energy: -127.692
flat angles P-C4'-P energy: -86.324
tors. eta vs tors. theta energy: -135.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1580.157240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.157240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.157240 (E_RNA)
where:
Base-Base interactions energy: -1023.241
where: short stacking energy: -461.004
Base-Backbone interact. energy: -1.311
local terms energy: -555.604515
where:
bonds (distance) C4'-P energy: -121.459
bonds (distance) P-C4' energy: -120.901
flat angles C4'-P-C4' energy: -119.535
flat angles P-C4'-P energy: -77.658
tors. eta vs tors. theta energy: -116.051
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: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1361.227845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.227845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.227845 (E_RNA)
where:
Base-Base interactions energy: -802.972
where: short stacking energy: -430.296
Base-Backbone interact. energy: -0.877
local terms energy: -557.378970
where:
bonds (distance) C4'-P energy: -127.459
bonds (distance) P-C4' energy: -119.155
flat angles C4'-P-C4' energy: -121.779
flat angles P-C4'-P energy: -69.401
tors. eta vs tors. theta energy: -119.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1151.660462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.660462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.660462 (E_RNA)
where:
Base-Base interactions energy: -656.894
where: short stacking energy: -347.013
Base-Backbone interact. energy: -1.205
local terms energy: -493.561625
where:
bonds (distance) C4'-P energy: -109.368
bonds (distance) P-C4' energy: -118.579
flat angles C4'-P-C4' energy: -113.830
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -83.655
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1013.386702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.386702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.386702 (E_RNA)
where:
Base-Base interactions energy: -541.277
where: short stacking energy: -280.179
Base-Backbone interact. energy: -1.353
local terms energy: -470.756604
where:
bonds (distance) C4'-P energy: -110.355
bonds (distance) P-C4' energy: -122.295
flat angles C4'-P-C4' energy: -117.779
flat angles P-C4'-P energy: -64.989
tors. eta vs tors. theta energy: -55.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -965.920987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.920987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.920987 (E_RNA)
where:
Base-Base interactions energy: -521.600
where: short stacking energy: -275.152
Base-Backbone interact. energy: -2.435
local terms energy: -441.886593
where:
bonds (distance) C4'-P energy: -93.454
bonds (distance) P-C4' energy: -115.248
flat angles C4'-P-C4' energy: -115.492
flat angles P-C4'-P energy: -67.876
tors. eta vs tors. theta energy: -49.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -634.563251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.563251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.563251 (E_RNA)
where:
Base-Base interactions energy: -265.625
where: short stacking energy: -191.128
Base-Backbone interact. energy: -3.465
local terms energy: -365.472387
where:
bonds (distance) C4'-P energy: -108.005
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -90.740
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -13.115
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: 15
Temperature: 1.250000
Total energy: -612.001137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.001137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.001137 (E_RNA)
where:
Base-Base interactions energy: -231.036
where: short stacking energy: -152.157
Base-Backbone interact. energy: 1.760
local terms energy: -382.725042
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -122.058
flat angles C4'-P-C4' energy: -97.480
flat angles P-C4'-P energy: -49.341
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -506.764268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.764268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.764268 (E_RNA)
where:
Base-Base interactions energy: -188.150
where: short stacking energy: -136.661
Base-Backbone interact. energy: -0.765
local terms energy: -317.849410
where:
bonds (distance) C4'-P energy: -98.934
bonds (distance) P-C4' energy: -97.737
flat angles C4'-P-C4' energy: -83.195
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: 18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -518.685920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.685920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.685920 (E_RNA)
where:
Base-Base interactions energy: -183.510
where: short stacking energy: -166.020
Base-Backbone interact. energy: 2.022
local terms energy: -337.198024
where:
bonds (distance) C4'-P energy: -119.252
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -90.019
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1661.589307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.589307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.589307 (E_RNA)
where:
Base-Base interactions energy: -1081.007
where: short stacking energy: -497.126
Base-Backbone interact. energy: -1.400
local terms energy: -579.182159
where:
bonds (distance) C4'-P energy: -122.227
bonds (distance) P-C4' energy: -125.585
flat angles C4'-P-C4' energy: -127.571
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -129.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1534.464770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.464770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.464770 (E_RNA)
where:
Base-Base interactions energy: -970.958
where: short stacking energy: -450.115
Base-Backbone interact. energy: -3.076
local terms energy: -560.431184
where:
bonds (distance) C4'-P energy: -102.432
bonds (distance) P-C4' energy: -123.767
flat angles C4'-P-C4' energy: -130.261
flat angles P-C4'-P energy: -76.763
tors. eta vs tors. theta energy: -127.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1367.213991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.213991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.213991 (E_RNA)
where:
Base-Base interactions energy: -816.997
where: short stacking energy: -426.603
Base-Backbone interact. energy: 1.730
local terms energy: -551.947061
where:
bonds (distance) C4'-P energy: -101.637
bonds (distance) P-C4' energy: -131.754
flat angles C4'-P-C4' energy: -136.650
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -103.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1184.344099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.344099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.344099 (E_RNA)
where:
Base-Base interactions energy: -701.491
where: short stacking energy: -348.824
Base-Backbone interact. energy: -3.858
local terms energy: -478.994902
where:
bonds (distance) C4'-P energy: -108.528
bonds (distance) P-C4' energy: -114.130
flat angles C4'-P-C4' energy: -118.272
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -987.940193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.940193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.940193 (E_RNA)
where:
Base-Base interactions energy: -568.410
where: short stacking energy: -283.876
Base-Backbone interact. energy: 0.145
local terms energy: -419.675057
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -120.405
flat angles C4'-P-C4' energy: -94.803
flat angles P-C4'-P energy: -69.884
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -946.653155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.653155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.653155 (E_RNA)
where:
Base-Base interactions energy: -504.792
where: short stacking energy: -293.429
Base-Backbone interact. energy: 0.330
local terms energy: -442.190941
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -103.688
flat angles C4'-P-C4' energy: -111.295
flat angles P-C4'-P energy: -77.196
tors. eta vs tors. theta energy: -46.129
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: 16
Temperature: 1.200000
Total energy: -733.987993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.987993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.987993 (E_RNA)
where:
Base-Base interactions energy: -348.717
where: short stacking energy: -229.786
Base-Backbone interact. energy: 1.625
local terms energy: -386.895983
where:
bonds (distance) C4'-P energy: -114.340
bonds (distance) P-C4' energy: -87.668
flat angles C4'-P-C4' energy: -109.440
flat angles P-C4'-P energy: -53.807
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -543.129887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.129887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.129887 (E_RNA)
where:
Base-Base interactions energy: -194.869
where: short stacking energy: -163.402
Base-Backbone interact. energy: -0.299
local terms energy: -347.961373
where:
bonds (distance) C4'-P energy: -109.642
bonds (distance) P-C4' energy: -111.868
flat angles C4'-P-C4' energy: -83.581
flat angles P-C4'-P energy: -49.705
tors. eta vs tors. theta energy: 6.835
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -496.627210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.627210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.627210 (E_RNA)
where:
Base-Base interactions energy: -196.116
where: short stacking energy: -150.828
Base-Backbone interact. energy: -0.124
local terms energy: -300.387316
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -99.074
flat angles C4'-P-C4' energy: -77.297
flat angles P-C4'-P energy: -50.119
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: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -466.254809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.254809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.254809 (E_RNA)
where:
Base-Base interactions energy: -157.150
where: short stacking energy: -143.508
Base-Backbone interact. energy: -0.103
local terms energy: -309.002511
where:
bonds (distance) C4'-P energy: -94.384
bonds (distance) P-C4' energy: -112.665
flat angles C4'-P-C4' energy: -77.897
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: 30.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1656.946097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.946097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.946097 (E_RNA)
where:
Base-Base interactions energy: -1049.649
where: short stacking energy: -495.071
Base-Backbone interact. energy: -2.288
local terms energy: -605.009945
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -123.345
flat angles C4'-P-C4' energy: -136.308
flat angles P-C4'-P energy: -77.836
tors. eta vs tors. theta energy: -146.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1478.406606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.406606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.406606 (E_RNA)
where:
Base-Base interactions energy: -868.176
where: short stacking energy: -453.678
Base-Backbone interact. energy: -2.040
local terms energy: -608.190800
where:
bonds (distance) C4'-P energy: -126.381
bonds (distance) P-C4' energy: -127.058
flat angles C4'-P-C4' energy: -146.947
flat angles P-C4'-P energy: -83.211
tors. eta vs tors. theta energy: -124.594
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1404.856625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.856625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.856625 (E_RNA)
where:
Base-Base interactions energy: -865.809
where: short stacking energy: -407.858
Base-Backbone interact. energy: 1.952
local terms energy: -540.999681
where:
bonds (distance) C4'-P energy: -116.441
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -118.780
flat angles P-C4'-P energy: -80.254
tors. eta vs tors. theta energy: -108.146
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: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1225.846725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.846725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.846725 (E_RNA)
where:
Base-Base interactions energy: -721.922
where: short stacking energy: -367.207
Base-Backbone interact. energy: -3.550
local terms energy: -500.374072
where:
bonds (distance) C4'-P energy: -93.360
bonds (distance) P-C4' energy: -110.886
flat angles C4'-P-C4' energy: -124.695
flat angles P-C4'-P energy: -86.868
tors. eta vs tors. theta energy: -84.565
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: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1075.984146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.984146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.984146 (E_RNA)
where:
Base-Base interactions energy: -607.440
where: short stacking energy: -319.969
Base-Backbone interact. energy: 2.703
local terms energy: -471.247822
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -120.363
flat angles C4'-P-C4' energy: -106.569
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -62.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1010.201495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.201495 (E_RNA)
where:
Base-Base interactions energy: -538.514
where: short stacking energy: -287.124
Base-Backbone interact. energy: 2.313
local terms energy: -473.999797
where:
bonds (distance) C4'-P energy: -123.002
bonds (distance) P-C4' energy: -123.576
flat angles C4'-P-C4' energy: -118.439
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -57.534
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: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -728.115835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.115835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.115835 (E_RNA)
where:
Base-Base interactions energy: -325.152
where: short stacking energy: -219.279
Base-Backbone interact. energy: 2.977
local terms energy: -405.940773
where:
bonds (distance) C4'-P energy: -117.643
bonds (distance) P-C4' energy: -94.456
flat angles C4'-P-C4' energy: -108.286
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -554.236300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.236300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.236300 (E_RNA)
where:
Base-Base interactions energy: -185.738
where: short stacking energy: -149.004
Base-Backbone interact. energy: 4.001
local terms energy: -372.499866
where:
bonds (distance) C4'-P energy: -105.660
bonds (distance) P-C4' energy: -107.590
flat angles C4'-P-C4' energy: -94.356
flat angles P-C4'-P energy: -60.881
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -508.004304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.004304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.004304 (E_RNA)
where:
Base-Base interactions energy: -181.570
where: short stacking energy: -122.521
Base-Backbone interact. energy: -5.918
local terms energy: -320.516145
where:
bonds (distance) C4'-P energy: -102.125
bonds (distance) P-C4' energy: -110.563
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: 22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -477.117891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.117891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.117891 (E_RNA)
where:
Base-Base interactions energy: -184.051
where: short stacking energy: -118.881
Base-Backbone interact. energy: -0.337
local terms energy: -292.729562
where:
bonds (distance) C4'-P energy: -95.848
bonds (distance) P-C4' energy: -112.548
flat angles C4'-P-C4' energy: -72.126
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: 11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1702.214125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.214125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.214125 (E_RNA)
where:
Base-Base interactions energy: -1083.439
where: short stacking energy: -527.823
Base-Backbone interact. energy: -1.219
local terms energy: -617.555296
where:
bonds (distance) C4'-P energy: -127.728
bonds (distance) P-C4' energy: -123.893
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -88.040
tors. eta vs tors. theta energy: -153.740
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: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1544.891267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.891267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.891267 (E_RNA)
where:
Base-Base interactions energy: -962.370
where: short stacking energy: -474.617
Base-Backbone interact. energy: -3.509
local terms energy: -579.012197
where:
bonds (distance) C4'-P energy: -112.949
bonds (distance) P-C4' energy: -119.206
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -86.972
tors. eta vs tors. theta energy: -137.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1390.632730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.632730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.632730 (E_RNA)
where:
Base-Base interactions energy: -862.891
where: short stacking energy: -418.424
Base-Backbone interact. energy: -1.035
local terms energy: -526.707043
where:
bonds (distance) C4'-P energy: -107.531
bonds (distance) P-C4' energy: -121.264
flat angles C4'-P-C4' energy: -122.202
flat angles P-C4'-P energy: -89.782
tors. eta vs tors. theta energy: -85.927
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1211.807219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.807219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.807219 (E_RNA)
where:
Base-Base interactions energy: -707.521
where: short stacking energy: -363.178
Base-Backbone interact. energy: 0.263
local terms energy: -504.548751
where:
bonds (distance) C4'-P energy: -105.076
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -126.240
flat angles P-C4'-P energy: -71.263
tors. eta vs tors. theta energy: -80.168
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1027.174607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.174607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.174607 (E_RNA)
where:
Base-Base interactions energy: -576.160
where: short stacking energy: -303.890
Base-Backbone interact. energy: 0.613
local terms energy: -451.627657
where:
bonds (distance) C4'-P energy: -104.327
bonds (distance) P-C4' energy: -101.480
flat angles C4'-P-C4' energy: -110.644
flat angles P-C4'-P energy: -78.765
tors. eta vs tors. theta energy: -56.412
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: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1005.282743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.282743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.282743 (E_RNA)
where:
Base-Base interactions energy: -550.551
where: short stacking energy: -276.555
Base-Backbone interact. energy: -4.093
local terms energy: -450.638251
where:
bonds (distance) C4'-P energy: -108.670
bonds (distance) P-C4' energy: -114.853
flat angles C4'-P-C4' energy: -109.095
flat angles P-C4'-P energy: -73.506
tors. eta vs tors. theta energy: -44.514
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: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -751.322398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.322398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.322398 (E_RNA)
where:
Base-Base interactions energy: -388.192
where: short stacking energy: -200.186
Base-Backbone interact. energy: -1.366
local terms energy: -361.765166
where:
bonds (distance) C4'-P energy: -118.357
bonds (distance) P-C4' energy: -92.571
flat angles C4'-P-C4' energy: -84.712
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -19.988
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: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -552.052890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.052890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.052890 (E_RNA)
where:
Base-Base interactions energy: -220.011
where: short stacking energy: -179.688
Base-Backbone interact. energy: 6.800
local terms energy: -338.841050
where:
bonds (distance) C4'-P energy: -92.453
bonds (distance) P-C4' energy: -110.485
flat angles C4'-P-C4' energy: -97.154
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: 10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -579.761265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.761265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.761265 (E_RNA)
where:
Base-Base interactions energy: -233.288
where: short stacking energy: -153.305
Base-Backbone interact. energy: -2.655
local terms energy: -343.817987
where:
bonds (distance) C4'-P energy: -102.586
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -109.274
flat angles P-C4'-P energy: -55.115
tors. eta vs tors. theta energy: 23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -496.165249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.165249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.165249 (E_RNA)
where:
Base-Base interactions energy: -158.962
where: short stacking energy: -134.273
Base-Backbone interact. energy: -2.359
local terms energy: -334.844581
where:
bonds (distance) C4'-P energy: -84.728
bonds (distance) P-C4' energy: -107.693
flat angles C4'-P-C4' energy: -91.332
flat angles P-C4'-P energy: -58.205
tors. eta vs tors. theta energy: 7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1725.093931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.093931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.093931 (E_RNA)
where:
Base-Base interactions energy: -1131.411
where: short stacking energy: -551.970
Base-Backbone interact. energy: -0.407
local terms energy: -593.275807
where:
bonds (distance) C4'-P energy: -110.823
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -139.388
flat angles P-C4'-P energy: -81.715
tors. eta vs tors. theta energy: -146.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1536.879514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.879514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.879514 (E_RNA)
where:
Base-Base interactions energy: -978.217
where: short stacking energy: -440.407
Base-Backbone interact. energy: -0.453
local terms energy: -558.210341
where:
bonds (distance) C4'-P energy: -113.470
bonds (distance) P-C4' energy: -116.735
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -86.901
tors. eta vs tors. theta energy: -119.828
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: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1393.770759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.770759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.770759 (E_RNA)
where:
Base-Base interactions energy: -879.028
where: short stacking energy: -404.914
Base-Backbone interact. energy: -2.119
local terms energy: -512.623648
where:
bonds (distance) C4'-P energy: -107.299
bonds (distance) P-C4' energy: -122.699
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -72.113
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: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1228.629040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.629040 (E_RNA)
where:
Base-Base interactions energy: -738.906
where: short stacking energy: -355.833
Base-Backbone interact. energy: 0.309
local terms energy: -490.031801
where:
bonds (distance) C4'-P energy: -105.021
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -123.491
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -86.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1085.293293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.293293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.293293 (E_RNA)
where:
Base-Base interactions energy: -632.327
where: short stacking energy: -337.843
Base-Backbone interact. energy: -1.712
local terms energy: -451.254617
where:
bonds (distance) C4'-P energy: -101.868
bonds (distance) P-C4' energy: -107.172
flat angles C4'-P-C4' energy: -108.734
flat angles P-C4'-P energy: -61.414
tors. eta vs tors. theta energy: -72.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1016.164562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.164562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.164562 (E_RNA)
where:
Base-Base interactions energy: -563.509
where: short stacking energy: -285.059
Base-Backbone interact. energy: -0.896
local terms energy: -451.759380
where:
bonds (distance) C4'-P energy: -115.219
bonds (distance) P-C4' energy: -121.225
flat angles C4'-P-C4' energy: -103.528
flat angles P-C4'-P energy: -57.276
tors. eta vs tors. theta energy: -54.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -735.262185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.262185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.262185 (E_RNA)
where:
Base-Base interactions energy: -351.177
where: short stacking energy: -195.735
Base-Backbone interact. energy: -1.196
local terms energy: -382.889359
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -125.550
flat angles C4'-P-C4' energy: -93.517
flat angles P-C4'-P energy: -65.717
tors. eta vs tors. theta energy: -9.252
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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -597.959369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.959369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.959369 (E_RNA)
where:
Base-Base interactions energy: -264.851
where: short stacking energy: -192.320
Base-Backbone interact. energy: -1.634
local terms energy: -331.474656
where:
bonds (distance) C4'-P energy: -106.471
bonds (distance) P-C4' energy: -99.933
flat angles C4'-P-C4' energy: -73.517
flat angles P-C4'-P energy: -57.868
tors. eta vs tors. theta energy: 6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -532.649116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.649116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.649116 (E_RNA)
where:
Base-Base interactions energy: -214.243
where: short stacking energy: -134.068
Base-Backbone interact. energy: 0.438
local terms energy: -318.844586
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -125.289
flat angles C4'-P-C4' energy: -87.268
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: 22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -477.396764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.396764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.396764 (E_RNA)
where:
Base-Base interactions energy: -177.558
where: short stacking energy: -135.252
Base-Backbone interact. energy: 0.404
local terms energy: -300.243359
where:
bonds (distance) C4'-P energy: -86.877
bonds (distance) P-C4' energy: -100.733
flat angles C4'-P-C4' energy: -89.740
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: 22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1729.808828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.808828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.808828 (E_RNA)
where:
Base-Base interactions energy: -1102.954
where: short stacking energy: -517.525
Base-Backbone interact. energy: -3.596
local terms energy: -623.259351
where:
bonds (distance) C4'-P energy: -127.450
bonds (distance) P-C4' energy: -116.963
flat angles C4'-P-C4' energy: -132.397
flat angles P-C4'-P energy: -91.292
tors. eta vs tors. theta energy: -155.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1581.398423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.398423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.398423 (E_RNA)
where:
Base-Base interactions energy: -1023.853
where: short stacking energy: -491.738
Base-Backbone interact. energy: -1.621
local terms energy: -555.924360
where:
bonds (distance) C4'-P energy: -116.027
bonds (distance) P-C4' energy: -114.088
flat angles C4'-P-C4' energy: -120.029
flat angles P-C4'-P energy: -70.279
tors. eta vs tors. theta energy: -135.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1391.843468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.843468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.843468 (E_RNA)
where:
Base-Base interactions energy: -863.055
where: short stacking energy: -413.534
Base-Backbone interact. energy: -3.998
local terms energy: -524.790423
where:
bonds (distance) C4'-P energy: -103.863
bonds (distance) P-C4' energy: -127.873
flat angles C4'-P-C4' energy: -113.327
flat angles P-C4'-P energy: -81.599
tors. eta vs tors. theta energy: -98.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1269.784838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.784838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.784838 (E_RNA)
where:
Base-Base interactions energy: -777.872
where: short stacking energy: -398.312
Base-Backbone interact. energy: -1.078
local terms energy: -490.834178
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -116.093
flat angles C4'-P-C4' energy: -119.136
flat angles P-C4'-P energy: -66.696
tors. eta vs tors. theta energy: -86.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1084.563356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.563356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.563356 (E_RNA)
where:
Base-Base interactions energy: -599.814
where: short stacking energy: -307.932
Base-Backbone interact. energy: -0.638
local terms energy: -484.111331
where:
bonds (distance) C4'-P energy: -117.519
bonds (distance) P-C4' energy: -113.580
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -75.736
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: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1010.192680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.192680 (E_RNA)
where:
Base-Base interactions energy: -603.657
where: short stacking energy: -293.785
Base-Backbone interact. energy: -2.603
local terms energy: -403.933175
where:
bonds (distance) C4'-P energy: -108.959
bonds (distance) P-C4' energy: -100.857
flat angles C4'-P-C4' energy: -99.868
flat angles P-C4'-P energy: -56.644
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -719.377873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.377873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.377873 (E_RNA)
where:
Base-Base interactions energy: -333.330
where: short stacking energy: -184.520
Base-Backbone interact. energy: 4.315
local terms energy: -390.363432
where:
bonds (distance) C4'-P energy: -125.014
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -94.611
flat angles P-C4'-P energy: -65.327
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -629.953815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.953815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.953815 (E_RNA)
where:
Base-Base interactions energy: -263.684
where: short stacking energy: -172.751
Base-Backbone interact. energy: -2.260
local terms energy: -364.009754
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -92.535
flat angles C4'-P-C4' energy: -91.784
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -613.382334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.382334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.382334 (E_RNA)
where:
Base-Base interactions energy: -279.688
where: short stacking energy: -169.484
Base-Backbone interact. energy: 4.236
local terms energy: -337.930863
where:
bonds (distance) C4'-P energy: -94.165
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: 7.926
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: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -493.931840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.931840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.931840 (E_RNA)
where:
Base-Base interactions energy: -183.087
where: short stacking energy: -134.921
Base-Backbone interact. energy: -3.210
local terms energy: -307.634272
where:
bonds (distance) C4'-P energy: -105.015
bonds (distance) P-C4' energy: -100.872
flat angles C4'-P-C4' energy: -79.093
flat angles P-C4'-P energy: -42.069
tors. eta vs tors. theta energy: 19.415
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: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1757.799705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.799705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.799705 (E_RNA)
where:
Base-Base interactions energy: -1164.735
where: short stacking energy: -544.267
Base-Backbone interact. energy: 1.126
local terms energy: -594.190043
where:
bonds (distance) C4'-P energy: -112.308
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -119.834
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -160.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1569.031013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.031013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.031013 (E_RNA)
where:
Base-Base interactions energy: -1014.768
where: short stacking energy: -469.971
Base-Backbone interact. energy: -0.815
local terms energy: -553.447932
where:
bonds (distance) C4'-P energy: -123.085
bonds (distance) P-C4' energy: -101.426
flat angles C4'-P-C4' energy: -128.135
flat angles P-C4'-P energy: -68.563
tors. eta vs tors. theta energy: -132.238
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: 21
Temperature: 1.000000
Total energy: -1414.159505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.159505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.159505 (E_RNA)
where:
Base-Base interactions energy: -895.131
where: short stacking energy: -422.224
Base-Backbone interact. energy: -1.615
local terms energy: -517.412991
where:
bonds (distance) C4'-P energy: -116.514
bonds (distance) P-C4' energy: -120.503
flat angles C4'-P-C4' energy: -110.882
flat angles P-C4'-P energy: -78.648
tors. eta vs tors. theta energy: -90.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1358.049477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.049477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.049477 (E_RNA)
where:
Base-Base interactions energy: -856.712
where: short stacking energy: -413.754
Base-Backbone interact. energy: 1.264
local terms energy: -502.600929
where:
bonds (distance) C4'-P energy: -115.217
bonds (distance) P-C4' energy: -91.998
flat angles C4'-P-C4' energy: -112.043
flat angles P-C4'-P energy: -80.390
tors. eta vs tors. theta energy: -102.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1178.917576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.917576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.917576 (E_RNA)
where:
Base-Base interactions energy: -663.880
where: short stacking energy: -367.891
Base-Backbone interact. energy: -1.354
local terms energy: -513.684172
where:
bonds (distance) C4'-P energy: -119.786
bonds (distance) P-C4' energy: -120.495
flat angles C4'-P-C4' energy: -116.017
flat angles P-C4'-P energy: -78.316
tors. eta vs tors. theta energy: -79.070
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: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1127.834966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.834966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.834966 (E_RNA)
where:
Base-Base interactions energy: -649.929
where: short stacking energy: -310.437
Base-Backbone interact. energy: -2.227
local terms energy: -475.679125
where:
bonds (distance) C4'-P energy: -114.964
bonds (distance) P-C4' energy: -107.949
flat angles C4'-P-C4' energy: -115.879
flat angles P-C4'-P energy: -69.314
tors. eta vs tors. theta energy: -67.573
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -698.472088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.472088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.472088 (E_RNA)
where:
Base-Base interactions energy: -307.779
where: short stacking energy: -199.216
Base-Backbone interact. energy: -1.441
local terms energy: -389.252290
where:
bonds (distance) C4'-P energy: -100.634
bonds (distance) P-C4' energy: -104.604
flat angles C4'-P-C4' energy: -103.067
flat angles P-C4'-P energy: -81.653
tors. eta vs tors. theta energy: 0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -662.892137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.892137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.892137 (E_RNA)
where:
Base-Base interactions energy: -322.313
where: short stacking energy: -188.060
Base-Backbone interact. energy: -0.210
local terms energy: -340.369514
where:
bonds (distance) C4'-P energy: -101.707
bonds (distance) P-C4' energy: -96.615
flat angles C4'-P-C4' energy: -88.230
flat angles P-C4'-P energy: -50.694
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -564.377957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.377957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.377957 (E_RNA)
where:
Base-Base interactions energy: -253.643
where: short stacking energy: -161.056
Base-Backbone interact. energy: 2.347
local terms energy: -313.081593
where:
bonds (distance) C4'-P energy: -96.308
bonds (distance) P-C4' energy: -106.422
flat angles C4'-P-C4' energy: -81.099
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: 17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -502.016375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.016375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.016375 (E_RNA)
where:
Base-Base interactions energy: -180.395
where: short stacking energy: -145.598
Base-Backbone interact. energy: -0.588
local terms energy: -321.033393
where:
bonds (distance) C4'-P energy: -89.884
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -80.958
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: 9.825
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: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1747.071856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.071856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.071856 (E_RNA)
where:
Base-Base interactions energy: -1124.442
where: short stacking energy: -523.082
Base-Backbone interact. energy: -2.231
local terms energy: -620.398604
where:
bonds (distance) C4'-P energy: -129.154
bonds (distance) P-C4' energy: -114.972
flat angles C4'-P-C4' energy: -127.120
flat angles P-C4'-P energy: -91.210
tors. eta vs tors. theta energy: -157.942
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: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1638.284902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.284902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.284902 (E_RNA)
where:
Base-Base interactions energy: -1051.991
where: short stacking energy: -460.470
Base-Backbone interact. energy: -3.115
local terms energy: -583.179120
where:
bonds (distance) C4'-P energy: -110.214
bonds (distance) P-C4' energy: -123.735
flat angles C4'-P-C4' energy: -138.915
flat angles P-C4'-P energy: -92.802
tors. eta vs tors. theta energy: -117.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1440.226950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.226950 (E_RNA)
where:
Base-Base interactions energy: -924.003
where: short stacking energy: -428.755
Base-Backbone interact. energy: 0.724
local terms energy: -516.947785
where:
bonds (distance) C4'-P energy: -100.100
bonds (distance) P-C4' energy: -112.859
flat angles C4'-P-C4' energy: -131.838
flat angles P-C4'-P energy: -77.202
tors. eta vs tors. theta energy: -94.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1372.812383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.812383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.812383 (E_RNA)
where:
Base-Base interactions energy: -843.521
where: short stacking energy: -393.725
Base-Backbone interact. energy: -1.236
local terms energy: -528.055481
where:
bonds (distance) C4'-P energy: -104.736
bonds (distance) P-C4' energy: -124.480
flat angles C4'-P-C4' energy: -124.504
flat angles P-C4'-P energy: -67.264
tors. eta vs tors. theta energy: -107.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1145.365883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.365883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.365883 (E_RNA)
where:
Base-Base interactions energy: -664.294
where: short stacking energy: -323.658
Base-Backbone interact. energy: -2.399
local terms energy: -478.672239
where:
bonds (distance) C4'-P energy: -123.229
bonds (distance) P-C4' energy: -106.548
flat angles C4'-P-C4' energy: -106.488
flat angles P-C4'-P energy: -67.624
tors. eta vs tors. theta energy: -74.784
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: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1031.989329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.989329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.989329 (E_RNA)
where:
Base-Base interactions energy: -609.542
where: short stacking energy: -285.623
Base-Backbone interact. energy: 0.844
local terms energy: -423.291181
where:
bonds (distance) C4'-P energy: -103.526
bonds (distance) P-C4' energy: -96.770
flat angles C4'-P-C4' energy: -96.592
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -50.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -739.474987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.474987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.474987 (E_RNA)
where:
Base-Base interactions energy: -350.901
where: short stacking energy: -192.795
Base-Backbone interact. energy: 1.309
local terms energy: -389.882581
where:
bonds (distance) C4'-P energy: -116.059
bonds (distance) P-C4' energy: -107.179
flat angles C4'-P-C4' energy: -87.714
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -578.982875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.982875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.982875 (E_RNA)
where:
Base-Base interactions energy: -245.035
where: short stacking energy: -167.732
Base-Backbone interact. energy: 5.730
local terms energy: -339.677285
where:
bonds (distance) C4'-P energy: -97.007
bonds (distance) P-C4' energy: -105.822
flat angles C4'-P-C4' energy: -87.292
flat angles P-C4'-P energy: -59.173
tors. eta vs tors. theta energy: 9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -564.760023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.760023 (E_RNA)
where:
Base-Base interactions energy: -206.772
where: short stacking energy: -150.681
Base-Backbone interact. energy: 5.093
local terms energy: -363.080660
where:
bonds (distance) C4'-P energy: -100.281
bonds (distance) P-C4' energy: -113.127
flat angles C4'-P-C4' energy: -96.847
flat angles P-C4'-P energy: -59.222
tors. eta vs tors. theta energy: 6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -477.586160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.586160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.586160 (E_RNA)
where:
Base-Base interactions energy: -167.488
where: short stacking energy: -109.446
Base-Backbone interact. energy: -1.001
local terms energy: -309.097180
where:
bonds (distance) C4'-P energy: -98.679
bonds (distance) P-C4' energy: -100.288
flat angles C4'-P-C4' energy: -96.994
flat angles P-C4'-P energy: -41.278
tors. eta vs tors. theta energy: 28.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1756.338906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.338906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.338906 (E_RNA)
where:
Base-Base interactions energy: -1143.459
where: short stacking energy: -515.034
Base-Backbone interact. energy: -1.881
local terms energy: -610.998672
where:
bonds (distance) C4'-P energy: -114.791
bonds (distance) P-C4' energy: -122.296
flat angles C4'-P-C4' energy: -139.164
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -144.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1678.899154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.899154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.899154 (E_RNA)
where:
Base-Base interactions energy: -1091.767
where: short stacking energy: -490.560
Base-Backbone interact. energy: -3.359
local terms energy: -583.773887
where:
bonds (distance) C4'-P energy: -115.815
bonds (distance) P-C4' energy: -118.465
flat angles C4'-P-C4' energy: -124.954
flat angles P-C4'-P energy: -88.495
tors. eta vs tors. theta energy: -136.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1456.873954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.873954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.873954 (E_RNA)
where:
Base-Base interactions energy: -919.518
where: short stacking energy: -445.380
Base-Backbone interact. energy: -1.781
local terms energy: -535.574971
where:
bonds (distance) C4'-P energy: -124.722
bonds (distance) P-C4' energy: -101.058
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -68.776
tors. eta vs tors. theta energy: -111.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1385.073435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.073435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.073435 (E_RNA)
where:
Base-Base interactions energy: -850.187
where: short stacking energy: -391.518
Base-Backbone interact. energy: 2.400
local terms energy: -537.286886
where:
bonds (distance) C4'-P energy: -101.579
bonds (distance) P-C4' energy: -120.312
flat angles C4'-P-C4' energy: -121.468
flat angles P-C4'-P energy: -84.098
tors. eta vs tors. theta energy: -109.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1151.268144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.268144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.268144 (E_RNA)
where:
Base-Base interactions energy: -697.645
where: short stacking energy: -387.869
Base-Backbone interact. energy: 2.813
local terms energy: -456.435424
where:
bonds (distance) C4'-P energy: -104.674
bonds (distance) P-C4' energy: -104.015
flat angles C4'-P-C4' energy: -109.577
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -88.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -994.460832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.460832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.460832 (E_RNA)
where:
Base-Base interactions energy: -577.672
where: short stacking energy: -298.475
Base-Backbone interact. energy: 0.223
local terms energy: -417.012241
where:
bonds (distance) C4'-P energy: -97.676
bonds (distance) P-C4' energy: -107.161
flat angles C4'-P-C4' energy: -101.771
flat angles P-C4'-P energy: -63.332
tors. eta vs tors. theta energy: -47.072
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -808.573571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.573571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.573571 (E_RNA)
where:
Base-Base interactions energy: -440.964
where: short stacking energy: -226.801
Base-Backbone interact. energy: 0.684
local terms energy: -368.294505
where:
bonds (distance) C4'-P energy: -107.007
bonds (distance) P-C4' energy: -103.317
flat angles C4'-P-C4' energy: -75.275
flat angles P-C4'-P energy: -68.856
tors. eta vs tors. theta energy: -13.840
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -623.337175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.337175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.337175 (E_RNA)
where:
Base-Base interactions energy: -272.105
where: short stacking energy: -196.100
Base-Backbone interact. energy: 2.347
local terms energy: -353.579090
where:
bonds (distance) C4'-P energy: -99.316
bonds (distance) P-C4' energy: -100.218
flat angles C4'-P-C4' energy: -84.550
flat angles P-C4'-P energy: -63.165
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -503.713997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.713997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.713997 (E_RNA)
where:
Base-Base interactions energy: -170.933
where: short stacking energy: -120.827
Base-Backbone interact. energy: -0.184
local terms energy: -332.596541
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -126.272
flat angles C4'-P-C4' energy: -94.705
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: 19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -535.309395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.309395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.309395 (E_RNA)
where:
Base-Base interactions energy: -207.975
where: short stacking energy: -140.569
Base-Backbone interact. energy: -2.488
local terms energy: -324.846095
where:
bonds (distance) C4'-P energy: -88.547
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -91.774
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: 4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1771.296892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.296892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.296892 (E_RNA)
where:
Base-Base interactions energy: -1171.191
where: short stacking energy: -530.364
Base-Backbone interact. energy: -1.001
local terms energy: -599.104905
where:
bonds (distance) C4'-P energy: -118.792
bonds (distance) P-C4' energy: -112.204
flat angles C4'-P-C4' energy: -137.793
flat angles P-C4'-P energy: -91.875
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1654.228837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.228837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.228837 (E_RNA)
where:
Base-Base interactions energy: -1092.152
where: short stacking energy: -486.443
Base-Backbone interact. energy: 4.077
local terms energy: -566.153747
where:
bonds (distance) C4'-P energy: -108.373
bonds (distance) P-C4' energy: -111.029
flat angles C4'-P-C4' energy: -132.965
flat angles P-C4'-P energy: -87.477
tors. eta vs tors. theta energy: -126.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1446.274816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.274816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.274816 (E_RNA)
where:
Base-Base interactions energy: -881.512
where: short stacking energy: -429.859
Base-Backbone interact. energy: -2.997
local terms energy: -561.765227
where:
bonds (distance) C4'-P energy: -124.267
bonds (distance) P-C4' energy: -130.958
flat angles C4'-P-C4' energy: -115.266
flat angles P-C4'-P energy: -82.800
tors. eta vs tors. theta energy: -108.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1399.363166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.363166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.363166 (E_RNA)
where:
Base-Base interactions energy: -855.104
where: short stacking energy: -394.584
Base-Backbone interact. energy: -2.436
local terms energy: -541.822956
where:
bonds (distance) C4'-P energy: -108.148
bonds (distance) P-C4' energy: -127.908
flat angles C4'-P-C4' energy: -125.065
flat angles P-C4'-P energy: -80.790
tors. eta vs tors. theta energy: -99.911
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1106.172847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.172847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.172847 (E_RNA)
where:
Base-Base interactions energy: -645.654
where: short stacking energy: -323.198
Base-Backbone interact. energy: 1.560
local terms energy: -462.078506
where:
bonds (distance) C4'-P energy: -107.769
bonds (distance) P-C4' energy: -107.963
flat angles C4'-P-C4' energy: -116.717
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -73.974
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1030.392584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.392584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.392584 (E_RNA)
where:
Base-Base interactions energy: -614.572
where: short stacking energy: -335.712
Base-Backbone interact. energy: -0.895
local terms energy: -414.926313
where:
bonds (distance) C4'-P energy: -88.837
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -109.330
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -62.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -734.936357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.936357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.936357 (E_RNA)
where:
Base-Base interactions energy: -364.569
where: short stacking energy: -193.603
Base-Backbone interact. energy: 2.490
local terms energy: -372.857585
where:
bonds (distance) C4'-P energy: -103.330
bonds (distance) P-C4' energy: -106.461
flat angles C4'-P-C4' energy: -107.703
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: 4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -705.993293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.993293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.993293 (E_RNA)
where:
Base-Base interactions energy: -348.163
where: short stacking energy: -211.349
Base-Backbone interact. energy: -0.201
local terms energy: -357.629633
where:
bonds (distance) C4'-P energy: -81.975
bonds (distance) P-C4' energy: -104.118
flat angles C4'-P-C4' energy: -98.643
flat angles P-C4'-P energy: -58.012
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -562.085827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.085827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.085827 (E_RNA)
where:
Base-Base interactions energy: -206.105
where: short stacking energy: -147.932
Base-Backbone interact. energy: -2.859
local terms energy: -353.121631
where:
bonds (distance) C4'-P energy: -97.369
bonds (distance) P-C4' energy: -107.153
flat angles C4'-P-C4' energy: -100.016
flat angles P-C4'-P energy: -65.583
tors. eta vs tors. theta energy: 17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -486.133987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.133987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.133987 (E_RNA)
where:
Base-Base interactions energy: -183.307
where: short stacking energy: -144.807
Base-Backbone interact. energy: -1.735
local terms energy: -301.091643
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -95.948
flat angles C4'-P-C4' energy: -75.216
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: 6.072
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: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1822.120102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.120102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.120102 (E_RNA)
where:
Base-Base interactions energy: -1224.435
where: short stacking energy: -543.507
Base-Backbone interact. energy: -2.137
local terms energy: -595.548508
where:
bonds (distance) C4'-P energy: -116.605
bonds (distance) P-C4' energy: -110.222
flat angles C4'-P-C4' energy: -129.818
flat angles P-C4'-P energy: -85.900
tors. eta vs tors. theta energy: -153.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1704.664523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.664523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.664523 (E_RNA)
where:
Base-Base interactions energy: -1106.461
where: short stacking energy: -487.724
Base-Backbone interact. energy: -2.463
local terms energy: -595.740568
where:
bonds (distance) C4'-P energy: -103.056
bonds (distance) P-C4' energy: -131.064
flat angles C4'-P-C4' energy: -134.963
flat angles P-C4'-P energy: -97.963
tors. eta vs tors. theta energy: -128.695
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1457.854554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.854554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.854554 (E_RNA)
where:
Base-Base interactions energy: -928.338
where: short stacking energy: -429.529
Base-Backbone interact. energy: -3.796
local terms energy: -525.720645
where:
bonds (distance) C4'-P energy: -115.292
bonds (distance) P-C4' energy: -128.525
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -90.824
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1416.094848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.094848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.094848 (E_RNA)
where:
Base-Base interactions energy: -913.286
where: short stacking energy: -395.732
Base-Backbone interact. energy: 0.990
local terms energy: -503.798602
where:
bonds (distance) C4'-P energy: -105.736
bonds (distance) P-C4' energy: -109.549
flat angles C4'-P-C4' energy: -121.348
flat angles P-C4'-P energy: -68.815
tors. eta vs tors. theta energy: -98.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1147.926139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.926139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.926139 (E_RNA)
where:
Base-Base interactions energy: -673.488
where: short stacking energy: -309.137
Base-Backbone interact. energy: -2.591
local terms energy: -471.846759
where:
bonds (distance) C4'-P energy: -105.230
bonds (distance) P-C4' energy: -116.843
flat angles C4'-P-C4' energy: -103.393
flat angles P-C4'-P energy: -72.781
tors. eta vs tors. theta energy: -73.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1060.312919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.312919 (E_RNA)
where:
Base-Base interactions energy: -605.419
where: short stacking energy: -294.233
Base-Backbone interact. energy: -0.018
local terms energy: -454.876432
where:
bonds (distance) C4'-P energy: -97.387
bonds (distance) P-C4' energy: -117.976
flat angles C4'-P-C4' energy: -108.311
flat angles P-C4'-P energy: -68.765
tors. eta vs tors. theta energy: -62.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -758.735616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.735616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.735616 (E_RNA)
where:
Base-Base interactions energy: -413.066
where: short stacking energy: -207.654
Base-Backbone interact. energy: 5.783
local terms energy: -351.452435
where:
bonds (distance) C4'-P energy: -96.958
bonds (distance) P-C4' energy: -121.204
flat angles C4'-P-C4' energy: -99.203
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: 9.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -619.310644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.310644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.310644 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -165.713
Base-Backbone interact. energy: -2.276
local terms energy: -366.764997
where:
bonds (distance) C4'-P energy: -102.134
bonds (distance) P-C4' energy: -126.823
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -61.378
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -570.221039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.221039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.221039 (E_RNA)
where:
Base-Base interactions energy: -246.658
where: short stacking energy: -156.772
Base-Backbone interact. energy: 3.063
local terms energy: -326.626088
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -99.973
flat angles C4'-P-C4' energy: -83.938
flat angles P-C4'-P energy: -44.393
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -466.427351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.427351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.427351 (E_RNA)
where:
Base-Base interactions energy: -172.175
where: short stacking energy: -123.011
Base-Backbone interact. energy: -2.800
local terms energy: -291.452708
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -89.839
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: 25.736
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: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1826.804102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.804102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.804102 (E_RNA)
where:
Base-Base interactions energy: -1192.432
where: short stacking energy: -560.709
Base-Backbone interact. energy: -2.307
local terms energy: -632.065074
where:
bonds (distance) C4'-P energy: -128.678
bonds (distance) P-C4' energy: -124.516
flat angles C4'-P-C4' energy: -139.457
flat angles P-C4'-P energy: -84.337
tors. eta vs tors. theta energy: -155.077
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1690.923805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.923805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.923805 (E_RNA)
where:
Base-Base interactions energy: -1106.710
where: short stacking energy: -477.994
Base-Backbone interact. energy: 1.730
local terms energy: -585.943934
where:
bonds (distance) C4'-P energy: -136.576
bonds (distance) P-C4' energy: -109.897
flat angles C4'-P-C4' energy: -127.836
flat angles P-C4'-P energy: -87.481
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: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1547.294868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.294868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.294868 (E_RNA)
where:
Base-Base interactions energy: -996.919
where: short stacking energy: -454.058
Base-Backbone interact. energy: -2.969
local terms energy: -547.406050
where:
bonds (distance) C4'-P energy: -122.706
bonds (distance) P-C4' energy: -128.904
flat angles C4'-P-C4' energy: -126.821
flat angles P-C4'-P energy: -57.705
tors. eta vs tors. theta energy: -111.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1431.862531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.862531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.862531 (E_RNA)
where:
Base-Base interactions energy: -874.637
where: short stacking energy: -412.070
Base-Backbone interact. energy: -3.472
local terms energy: -553.752962
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -125.468
flat angles C4'-P-C4' energy: -125.464
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -106.652
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: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1123.054649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.054649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.054649 (E_RNA)
where:
Base-Base interactions energy: -652.530
where: short stacking energy: -339.226
Base-Backbone interact. energy: -2.416
local terms energy: -468.108790
where:
bonds (distance) C4'-P energy: -104.005
bonds (distance) P-C4' energy: -114.601
flat angles C4'-P-C4' energy: -104.320
flat angles P-C4'-P energy: -74.490
tors. eta vs tors. theta energy: -70.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1068.330655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.330655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.330655 (E_RNA)
where:
Base-Base interactions energy: -584.362
where: short stacking energy: -336.923
Base-Backbone interact. energy: -5.490
local terms energy: -478.478604
where:
bonds (distance) C4'-P energy: -105.213
bonds (distance) P-C4' energy: -120.879
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -69.929
tors. eta vs tors. theta energy: -66.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -760.809279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.809279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.809279 (E_RNA)
where:
Base-Base interactions energy: -389.586
where: short stacking energy: -251.268
Base-Backbone interact. energy: 0.407
local terms energy: -371.630773
where:
bonds (distance) C4'-P energy: -107.177
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -98.624
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -593.470028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.470028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.470028 (E_RNA)
where:
Base-Base interactions energy: -254.286
where: short stacking energy: -161.388
Base-Backbone interact. energy: -3.085
local terms energy: -336.099074
where:
bonds (distance) C4'-P energy: -106.149
bonds (distance) P-C4' energy: -116.170
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -63.808
tors. eta vs tors. theta energy: 10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -505.021107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.021107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.021107 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -104.817
Base-Backbone interact. energy: 1.135
local terms energy: -352.702537
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -105.455
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -73.335
tors. eta vs tors. theta energy: 17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -459.697079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.697079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.697079 (E_RNA)
where:
Base-Base interactions energy: -152.768
where: short stacking energy: -114.805
Base-Backbone interact. energy: 0.316
local terms energy: -307.244593
where:
bonds (distance) C4'-P energy: -110.012
bonds (distance) P-C4' energy: -95.866
flat angles C4'-P-C4' energy: -105.275
flat angles P-C4'-P energy: -45.771
tors. eta vs tors. theta energy: 49.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1819.905431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.905431 (E_RNA)
where:
Base-Base interactions energy: -1176.429
where: short stacking energy: -544.030
Base-Backbone interact. energy: -1.128
local terms energy: -642.348540
where:
bonds (distance) C4'-P energy: -130.388
bonds (distance) P-C4' energy: -130.055
flat angles C4'-P-C4' energy: -134.589
flat angles P-C4'-P energy: -85.782
tors. eta vs tors. theta energy: -161.534
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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1694.768787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.768787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.768787 (E_RNA)
where:
Base-Base interactions energy: -1113.160
where: short stacking energy: -491.170
Base-Backbone interact. energy: -6.192
local terms energy: -575.416514
where:
bonds (distance) C4'-P energy: -120.263
bonds (distance) P-C4' energy: -129.191
flat angles C4'-P-C4' energy: -131.199
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -130.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1590.096069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.096069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.096069 (E_RNA)
where:
Base-Base interactions energy: -1028.069
where: short stacking energy: -468.364
Base-Backbone interact. energy: -0.992
local terms energy: -561.035018
where:
bonds (distance) C4'-P energy: -108.372
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -111.610
flat angles P-C4'-P energy: -83.999
tors. eta vs tors. theta energy: -137.486
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: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1429.088637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.088637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.088637 (E_RNA)
where:
Base-Base interactions energy: -891.585
where: short stacking energy: -397.977
Base-Backbone interact. energy: -3.482
local terms energy: -534.021700
where:
bonds (distance) C4'-P energy: -113.421
bonds (distance) P-C4' energy: -115.130
flat angles C4'-P-C4' energy: -114.606
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -120.398
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: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1184.354120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.354120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.354120 (E_RNA)
where:
Base-Base interactions energy: -684.701
where: short stacking energy: -370.370
Base-Backbone interact. energy: 1.324
local terms energy: -500.977280
where:
bonds (distance) C4'-P energy: -107.119
bonds (distance) P-C4' energy: -117.008
flat angles C4'-P-C4' energy: -110.319
flat angles P-C4'-P energy: -79.471
tors. eta vs tors. theta energy: -87.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1161.475124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.475124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.475124 (E_RNA)
where:
Base-Base interactions energy: -690.000
where: short stacking energy: -348.442
Base-Backbone interact. energy: -2.027
local terms energy: -469.448234
where:
bonds (distance) C4'-P energy: -111.706
bonds (distance) P-C4' energy: -127.240
flat angles C4'-P-C4' energy: -100.980
flat angles P-C4'-P energy: -70.465
tors. eta vs tors. theta energy: -59.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -715.947000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.947000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.947000 (E_RNA)
where:
Base-Base interactions energy: -340.848
where: short stacking energy: -189.997
Base-Backbone interact. energy: -1.176
local terms energy: -373.923612
where:
bonds (distance) C4'-P energy: -96.806
bonds (distance) P-C4' energy: -88.871
flat angles C4'-P-C4' energy: -98.015
flat angles P-C4'-P energy: -67.022
tors. eta vs tors. theta energy: -23.209
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: 27
Temperature: 1.250000
Total energy: -542.130570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.130570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.130570 (E_RNA)
where:
Base-Base interactions energy: -189.284
where: short stacking energy: -158.249
Base-Backbone interact. energy: 3.475
local terms energy: -356.321631
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -98.494
flat angles C4'-P-C4' energy: -110.787
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -524.879946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.879946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.879946 (E_RNA)
where:
Base-Base interactions energy: -197.298
where: short stacking energy: -167.935
Base-Backbone interact. energy: -2.783
local terms energy: -324.798856
where:
bonds (distance) C4'-P energy: -92.772
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -70.894
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: 11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -474.120332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.120332 (E_RNA)
where:
Base-Base interactions energy: -189.934
where: short stacking energy: -145.432
Base-Backbone interact. energy: -1.084
local terms energy: -283.101859
where:
bonds (distance) C4'-P energy: -93.598
bonds (distance) P-C4' energy: -89.880
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -49.325
tors. eta vs tors. theta energy: 26.834
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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1826.448298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.448298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.448298 (E_RNA)
where:
Base-Base interactions energy: -1192.898
where: short stacking energy: -538.565
Base-Backbone interact. energy: -4.472
local terms energy: -629.079157
where:
bonds (distance) C4'-P energy: -121.835
bonds (distance) P-C4' energy: -116.860
flat angles C4'-P-C4' energy: -141.252
flat angles P-C4'-P energy: -98.901
tors. eta vs tors. theta energy: -150.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1697.583881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.583881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.583881 (E_RNA)
where:
Base-Base interactions energy: -1112.637
where: short stacking energy: -497.003
Base-Backbone interact. energy: 0.169
local terms energy: -585.115797
where:
bonds (distance) C4'-P energy: -115.717
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -121.635
flat angles P-C4'-P energy: -87.367
tors. eta vs tors. theta energy: -139.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1560.203774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.203774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.203774 (E_RNA)
where:
Base-Base interactions energy: -997.175
where: short stacking energy: -455.462
Base-Backbone interact. energy: -1.942
local terms energy: -561.087114
where:
bonds (distance) C4'-P energy: -119.198
bonds (distance) P-C4' energy: -114.705
flat angles C4'-P-C4' energy: -127.114
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: -128.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1484.505950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.505950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.505950 (E_RNA)
where:
Base-Base interactions energy: -914.440
where: short stacking energy: -404.415
Base-Backbone interact. energy: -0.784
local terms energy: -569.281935
where:
bonds (distance) C4'-P energy: -122.725
bonds (distance) P-C4' energy: -117.258
flat angles C4'-P-C4' energy: -132.170
flat angles P-C4'-P energy: -78.701
tors. eta vs tors. theta energy: -118.428
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1229.879392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.879392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.879392 (E_RNA)
where:
Base-Base interactions energy: -739.957
where: short stacking energy: -351.929
Base-Backbone interact. energy: -0.618
local terms energy: -489.303862
where:
bonds (distance) C4'-P energy: -102.702
bonds (distance) P-C4' energy: -118.243
flat angles C4'-P-C4' energy: -114.734
flat angles P-C4'-P energy: -62.576
tors. eta vs tors. theta energy: -91.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1102.171648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.171648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.171648 (E_RNA)
where:
Base-Base interactions energy: -639.665
where: short stacking energy: -289.119
Base-Backbone interact. energy: 1.261
local terms energy: -463.767533
where:
bonds (distance) C4'-P energy: -105.695
bonds (distance) P-C4' energy: -119.454
flat angles C4'-P-C4' energy: -104.213
flat angles P-C4'-P energy: -71.573
tors. eta vs tors. theta energy: -62.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -788.745157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.745157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.745157 (E_RNA)
where:
Base-Base interactions energy: -374.695
where: short stacking energy: -240.095
Base-Backbone interact. energy: 4.488
local terms energy: -418.538838
where:
bonds (distance) C4'-P energy: -106.320
bonds (distance) P-C4' energy: -97.988
flat angles C4'-P-C4' energy: -110.440
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -584.651793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.651793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.651793 (E_RNA)
where:
Base-Base interactions energy: -221.569
where: short stacking energy: -167.245
Base-Backbone interact. energy: 2.709
local terms energy: -365.791816
where:
bonds (distance) C4'-P energy: -107.894
bonds (distance) P-C4' energy: -94.251
flat angles C4'-P-C4' energy: -101.896
flat angles P-C4'-P energy: -50.826
tors. eta vs tors. theta energy: -10.925
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: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -500.019967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.019967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.019967 (E_RNA)
where:
Base-Base interactions energy: -165.148
where: short stacking energy: -132.491
Base-Backbone interact. energy: -2.934
local terms energy: -331.937505
where:
bonds (distance) C4'-P energy: -103.839
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -102.330
flat angles P-C4'-P energy: -50.200
tors. eta vs tors. theta energy: 14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -453.791857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.791857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.791857 (E_RNA)
where:
Base-Base interactions energy: -154.634
where: short stacking energy: -135.458
Base-Backbone interact. energy: 5.698
local terms energy: -304.855246
where:
bonds (distance) C4'-P energy: -96.826
bonds (distance) P-C4' energy: -103.661
flat angles C4'-P-C4' energy: -82.615
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: 25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1830.119893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.119893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.119893 (E_RNA)
where:
Base-Base interactions energy: -1200.419
where: short stacking energy: -562.921
Base-Backbone interact. energy: -4.072
local terms energy: -625.628514
where:
bonds (distance) C4'-P energy: -128.421
bonds (distance) P-C4' energy: -119.003
flat angles C4'-P-C4' energy: -138.888
flat angles P-C4'-P energy: -97.923
tors. eta vs tors. theta energy: -141.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1703.872913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.872913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.872913 (E_RNA)
where:
Base-Base interactions energy: -1096.379
where: short stacking energy: -488.875
Base-Backbone interact. energy: -2.240
local terms energy: -605.253955
where:
bonds (distance) C4'-P energy: -133.519
bonds (distance) P-C4' energy: -110.942
flat angles C4'-P-C4' energy: -135.143
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -141.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1581.913689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.913689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.913689 (E_RNA)
where:
Base-Base interactions energy: -1017.788
where: short stacking energy: -459.783
Base-Backbone interact. energy: -2.493
local terms energy: -561.633582
where:
bonds (distance) C4'-P energy: -107.593
bonds (distance) P-C4' energy: -125.962
flat angles C4'-P-C4' energy: -133.938
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -116.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1412.471113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.471113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.471113 (E_RNA)
where:
Base-Base interactions energy: -861.719
where: short stacking energy: -402.990
Base-Backbone interact. energy: -3.288
local terms energy: -547.464691
where:
bonds (distance) C4'-P energy: -112.074
bonds (distance) P-C4' energy: -127.112
flat angles C4'-P-C4' energy: -118.653
flat angles P-C4'-P energy: -76.898
tors. eta vs tors. theta energy: -112.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1252.763361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.763361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.763361 (E_RNA)
where:
Base-Base interactions energy: -748.261
where: short stacking energy: -371.083
Base-Backbone interact. energy: -0.438
local terms energy: -504.063620
where:
bonds (distance) C4'-P energy: -116.154
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -109.835
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -117.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1122.437375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.437375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.437375 (E_RNA)
where:
Base-Base interactions energy: -614.186
where: short stacking energy: -326.063
Base-Backbone interact. energy: -1.086
local terms energy: -507.165601
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -127.168
flat angles C4'-P-C4' energy: -113.987
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -80.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -826.800146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.800146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.800146 (E_RNA)
where:
Base-Base interactions energy: -425.938
where: short stacking energy: -233.230
Base-Backbone interact. energy: 0.788
local terms energy: -401.649945
where:
bonds (distance) C4'-P energy: -113.749
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -82.361
flat angles P-C4'-P energy: -57.853
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -570.935291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.935291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.935291 (E_RNA)
where:
Base-Base interactions energy: -210.508
where: short stacking energy: -162.994
Base-Backbone interact. energy: 1.571
local terms energy: -361.998351
where:
bonds (distance) C4'-P energy: -94.078
bonds (distance) P-C4' energy: -116.748
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: 10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -493.618615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.618615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.618615 (E_RNA)
where:
Base-Base interactions energy: -186.549
where: short stacking energy: -125.947
Base-Backbone interact. energy: 3.026
local terms energy: -310.095993
where:
bonds (distance) C4'-P energy: -85.782
bonds (distance) P-C4' energy: -112.618
flat angles C4'-P-C4' energy: -72.502
flat angles P-C4'-P energy: -56.607
tors. eta vs tors. theta energy: 17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -472.185397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.185397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.185397 (E_RNA)
where:
Base-Base interactions energy: -158.433
where: short stacking energy: -130.228
Base-Backbone interact. energy: 6.674
local terms energy: -320.426891
where:
bonds (distance) C4'-P energy: -99.668
bonds (distance) P-C4' energy: -119.407
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: 35.450
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: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1831.697310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.697310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.697310 (E_RNA)
where:
Base-Base interactions energy: -1211.631
where: short stacking energy: -537.212
Base-Backbone interact. energy: -2.877
local terms energy: -617.189572
where:
bonds (distance) C4'-P energy: -119.997
bonds (distance) P-C4' energy: -129.683
flat angles C4'-P-C4' energy: -132.745
flat angles P-C4'-P energy: -90.362
tors. eta vs tors. theta energy: -144.404
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1700.717557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.717557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.717557 (E_RNA)
where:
Base-Base interactions energy: -1140.002
where: short stacking energy: -454.296
Base-Backbone interact. energy: -6.552
local terms energy: -554.164334
where:
bonds (distance) C4'-P energy: -117.028
bonds (distance) P-C4' energy: -98.747
flat angles C4'-P-C4' energy: -130.628
flat angles P-C4'-P energy: -83.170
tors. eta vs tors. theta energy: -124.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1605.424140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.424140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.424140 (E_RNA)
where:
Base-Base interactions energy: -1038.523
where: short stacking energy: -471.467
Base-Backbone interact. energy: -2.607
local terms energy: -564.294715
where:
bonds (distance) C4'-P energy: -118.913
bonds (distance) P-C4' energy: -126.190
flat angles C4'-P-C4' energy: -119.802
flat angles P-C4'-P energy: -70.951
tors. eta vs tors. theta energy: -128.438
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: 30
Temperature: 1.050000
Total energy: -1442.530741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.530741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.530741 (E_RNA)
where:
Base-Base interactions energy: -912.877
where: short stacking energy: -400.579
Base-Backbone interact. energy: -1.478
local terms energy: -528.175272
where:
bonds (distance) C4'-P energy: -101.951
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -127.880
flat angles P-C4'-P energy: -78.468
tors. eta vs tors. theta energy: -111.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1247.307362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.307362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.307362 (E_RNA)
where:
Base-Base interactions energy: -758.344
where: short stacking energy: -366.320
Base-Backbone interact. energy: -1.097
local terms energy: -487.865878
where:
bonds (distance) C4'-P energy: -111.386
bonds (distance) P-C4' energy: -110.793
flat angles C4'-P-C4' energy: -108.877
flat angles P-C4'-P energy: -65.267
tors. eta vs tors. theta energy: -91.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1122.640427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.640427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.640427 (E_RNA)
where:
Base-Base interactions energy: -647.186
where: short stacking energy: -320.373
Base-Backbone interact. energy: 0.565
local terms energy: -476.018479
where:
bonds (distance) C4'-P energy: -114.269
bonds (distance) P-C4' energy: -115.943
flat angles C4'-P-C4' energy: -105.257
flat angles P-C4'-P energy: -73.610
tors. eta vs tors. theta energy: -66.940
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: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -928.217594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.217594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.217594 (E_RNA)
where:
Base-Base interactions energy: -517.151
where: short stacking energy: -247.533
Base-Backbone interact. energy: -3.308
local terms energy: -407.758995
where:
bonds (distance) C4'-P energy: -113.983
bonds (distance) P-C4' energy: -91.049
flat angles C4'-P-C4' energy: -100.423
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -31.506
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -581.150334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.150334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.150334 (E_RNA)
where:
Base-Base interactions energy: -230.776
where: short stacking energy: -159.758
Base-Backbone interact. energy: -0.975
local terms energy: -349.399164
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -102.215
flat angles C4'-P-C4' energy: -95.337
flat angles P-C4'-P energy: -64.082
tors. eta vs tors. theta energy: 8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -508.029445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.029445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.029445 (E_RNA)
where:
Base-Base interactions energy: -187.064
where: short stacking energy: -148.752
Base-Backbone interact. energy: 3.636
local terms energy: -324.601783
where:
bonds (distance) C4'-P energy: -101.257
bonds (distance) P-C4' energy: -109.237
flat angles C4'-P-C4' energy: -81.085
flat angles P-C4'-P energy: -46.997
tors. eta vs tors. theta energy: 13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -535.082297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.082297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.082297 (E_RNA)
where:
Base-Base interactions energy: -210.983
where: short stacking energy: -146.285
Base-Backbone interact. energy: -0.556
local terms energy: -323.543384
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -83.290
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: 21.153
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: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1828.061505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.061505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.061505 (E_RNA)
where:
Base-Base interactions energy: -1219.575
where: short stacking energy: -529.452
Base-Backbone interact. energy: -1.521
local terms energy: -606.966392
where:
bonds (distance) C4'-P energy: -106.210
bonds (distance) P-C4' energy: -129.314
flat angles C4'-P-C4' energy: -132.205
flat angles P-C4'-P energy: -92.036
tors. eta vs tors. theta energy: -147.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1712.981360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.981360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.981360 (E_RNA)
where:
Base-Base interactions energy: -1106.495
where: short stacking energy: -484.106
Base-Backbone interact. energy: -3.920
local terms energy: -602.565970
where:
bonds (distance) C4'-P energy: -124.013
bonds (distance) P-C4' energy: -117.274
flat angles C4'-P-C4' energy: -139.270
flat angles P-C4'-P energy: -81.011
tors. eta vs tors. theta energy: -140.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1597.113533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.113533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.113533 (E_RNA)
where:
Base-Base interactions energy: -1046.450
where: short stacking energy: -470.605
Base-Backbone interact. energy: 0.484
local terms energy: -551.148105
where:
bonds (distance) C4'-P energy: -111.159
bonds (distance) P-C4' energy: -119.436
flat angles C4'-P-C4' energy: -114.709
flat angles P-C4'-P energy: -75.916
tors. eta vs tors. theta energy: -129.927
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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1440.572677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.572677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.572677 (E_RNA)
where:
Base-Base interactions energy: -910.727
where: short stacking energy: -441.461
Base-Backbone interact. energy: 0.017
local terms energy: -529.862738
where:
bonds (distance) C4'-P energy: -109.771
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -72.403
tors. eta vs tors. theta energy: -116.330
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1196.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.859216 (E_RNA)
where:
Base-Base interactions energy: -713.724
where: short stacking energy: -386.806
Base-Backbone interact. energy: -1.530
local terms energy: -481.605717
where:
bonds (distance) C4'-P energy: -107.577
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -109.769
flat angles P-C4'-P energy: -61.400
tors. eta vs tors. theta energy: -79.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1145.409885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.409885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.409885 (E_RNA)
where:
Base-Base interactions energy: -661.755
where: short stacking energy: -313.343
Base-Backbone interact. energy: -2.064
local terms energy: -481.590422
where:
bonds (distance) C4'-P energy: -123.184
bonds (distance) P-C4' energy: -119.848
flat angles C4'-P-C4' energy: -103.917
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -62.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1001.028212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.028212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.028212 (E_RNA)
where:
Base-Base interactions energy: -585.067
where: short stacking energy: -294.486
Base-Backbone interact. energy: -0.944
local terms energy: -415.017595
where:
bonds (distance) C4'-P energy: -103.451
bonds (distance) P-C4' energy: -113.212
flat angles C4'-P-C4' energy: -105.067
flat angles P-C4'-P energy: -55.193
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -556.418194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.418194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.418194 (E_RNA)
where:
Base-Base interactions energy: -179.253
where: short stacking energy: -143.824
Base-Backbone interact. energy: 1.086
local terms energy: -378.250889
where:
bonds (distance) C4'-P energy: -110.914
bonds (distance) P-C4' energy: -113.266
flat angles C4'-P-C4' energy: -95.503
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -525.514941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.514941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.514941 (E_RNA)
where:
Base-Base interactions energy: -189.957
where: short stacking energy: -141.099
Base-Backbone interact. energy: -2.001
local terms energy: -333.556379
where:
bonds (distance) C4'-P energy: -107.585
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -79.079
flat angles P-C4'-P energy: -61.367
tors. eta vs tors. theta energy: 18.478
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: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -513.664901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.664901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.664901 (E_RNA)
where:
Base-Base interactions energy: -182.790
where: short stacking energy: -142.785
Base-Backbone interact. energy: 7.913
local terms energy: -338.787669
where:
bonds (distance) C4'-P energy: -93.759
bonds (distance) P-C4' energy: -111.799
flat angles C4'-P-C4' energy: -91.611
flat angles P-C4'-P energy: -58.415
tors. eta vs tors. theta energy: 16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1824.345075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.345075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.345075 (E_RNA)
where:
Base-Base interactions energy: -1188.197
where: short stacking energy: -545.901
Base-Backbone interact. energy: -0.400
local terms energy: -635.748125
where:
bonds (distance) C4'-P energy: -128.213
bonds (distance) P-C4' energy: -129.726
flat angles C4'-P-C4' energy: -135.091
flat angles P-C4'-P energy: -92.486
tors. eta vs tors. theta energy: -150.231
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1709.280916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.280916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.280916 (E_RNA)
where:
Base-Base interactions energy: -1137.294
where: short stacking energy: -462.688
Base-Backbone interact. energy: -4.155
local terms energy: -567.832576
where:
bonds (distance) C4'-P energy: -121.866
bonds (distance) P-C4' energy: -123.888
flat angles C4'-P-C4' energy: -111.950
flat angles P-C4'-P energy: -86.484
tors. eta vs tors. theta energy: -123.646
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: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1613.956887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.956887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.956887 (E_RNA)
where:
Base-Base interactions energy: -1041.471
where: short stacking energy: -460.538
Base-Backbone interact. energy: 0.432
local terms energy: -572.917406
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -118.615
flat angles C4'-P-C4' energy: -131.886
flat angles P-C4'-P energy: -85.258
tors. eta vs tors. theta energy: -124.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1455.353001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.353001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.353001 (E_RNA)
where:
Base-Base interactions energy: -913.271
where: short stacking energy: -423.438
Base-Backbone interact. energy: -0.714
local terms energy: -541.367218
where:
bonds (distance) C4'-P energy: -111.109
bonds (distance) P-C4' energy: -123.901
flat angles C4'-P-C4' energy: -125.761
flat angles P-C4'-P energy: -78.040
tors. eta vs tors. theta energy: -102.557
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: 32
Temperature: 1.100000
Total energy: -1196.339060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.339060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.339060 (E_RNA)
where:
Base-Base interactions energy: -703.912
where: short stacking energy: -334.637
Base-Backbone interact. energy: -2.272
local terms energy: -490.155008
where:
bonds (distance) C4'-P energy: -101.249
bonds (distance) P-C4' energy: -125.033
flat angles C4'-P-C4' energy: -129.498
flat angles P-C4'-P energy: -68.431
tors. eta vs tors. theta energy: -65.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1226.423967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.423967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.423967 (E_RNA)
where:
Base-Base interactions energy: -751.089
where: short stacking energy: -333.739
Base-Backbone interact. energy: 0.536
local terms energy: -475.870416
where:
bonds (distance) C4'-P energy: -102.977
bonds (distance) P-C4' energy: -113.549
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -78.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -924.186323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.186323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.186323 (E_RNA)
where:
Base-Base interactions energy: -545.536
where: short stacking energy: -270.386
Base-Backbone interact. energy: -4.259
local terms energy: -374.390979
where:
bonds (distance) C4'-P energy: -84.521
bonds (distance) P-C4' energy: -109.842
flat angles C4'-P-C4' energy: -94.684
flat angles P-C4'-P energy: -48.723
tors. eta vs tors. theta energy: -36.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -593.223858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.223858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.223858 (E_RNA)
where:
Base-Base interactions energy: -258.432
where: short stacking energy: -180.185
Base-Backbone interact. energy: 2.565
local terms energy: -337.356609
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -111.757
flat angles C4'-P-C4' energy: -83.349
flat angles P-C4'-P energy: -49.249
tors. eta vs tors. theta energy: 10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -575.187594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.187594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.187594 (E_RNA)
where:
Base-Base interactions energy: -244.929
where: short stacking energy: -148.261
Base-Backbone interact. energy: 0.317
local terms energy: -330.575099
where:
bonds (distance) C4'-P energy: -103.056
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -100.804
flat angles P-C4'-P energy: -46.222
tors. eta vs tors. theta energy: 5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -459.416594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.416594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.416594 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -122.140
Base-Backbone interact. energy: -3.778
local terms energy: -316.375993
where:
bonds (distance) C4'-P energy: -100.604
bonds (distance) P-C4' energy: -109.563
flat angles C4'-P-C4' energy: -88.415
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: 17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1821.458405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.458405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.458405 (E_RNA)
where:
Base-Base interactions energy: -1177.409
where: short stacking energy: -536.331
Base-Backbone interact. energy: -2.508
local terms energy: -641.540993
where:
bonds (distance) C4'-P energy: -120.725
bonds (distance) P-C4' energy: -126.109
flat angles C4'-P-C4' energy: -145.328
flat angles P-C4'-P energy: -88.930
tors. eta vs tors. theta energy: -160.449
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1683.855778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.855778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.855778 (E_RNA)
where:
Base-Base interactions energy: -1116.816
where: short stacking energy: -485.997
Base-Backbone interact. energy: 0.099
local terms energy: -567.139405
where:
bonds (distance) C4'-P energy: -124.706
bonds (distance) P-C4' energy: -118.481
flat angles C4'-P-C4' energy: -127.291
flat angles P-C4'-P energy: -67.669
tors. eta vs tors. theta energy: -128.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1641.421462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.421462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.421462 (E_RNA)
where:
Base-Base interactions energy: -1071.227
where: short stacking energy: -489.881
Base-Backbone interact. energy: -0.338
local terms energy: -569.856614
where:
bonds (distance) C4'-P energy: -129.895
bonds (distance) P-C4' energy: -96.790
flat angles C4'-P-C4' energy: -133.866
flat angles P-C4'-P energy: -72.975
tors. eta vs tors. theta energy: -136.330
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1436.143691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.143691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.143691 (E_RNA)
where:
Base-Base interactions energy: -912.836
where: short stacking energy: -401.267
Base-Backbone interact. energy: -1.727
local terms energy: -521.580167
where:
bonds (distance) C4'-P energy: -112.044
bonds (distance) P-C4' energy: -99.627
flat angles C4'-P-C4' energy: -122.232
flat angles P-C4'-P energy: -75.676
tors. eta vs tors. theta energy: -112.001
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1193.785903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.785903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.785903 (E_RNA)
where:
Base-Base interactions energy: -714.388
where: short stacking energy: -368.349
Base-Backbone interact. energy: -0.356
local terms energy: -479.041566
where:
bonds (distance) C4'-P energy: -84.162
bonds (distance) P-C4' energy: -115.381
flat angles C4'-P-C4' energy: -116.617
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -91.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1195.647280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.647280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.647280 (E_RNA)
where:
Base-Base interactions energy: -737.229
where: short stacking energy: -348.450
Base-Backbone interact. energy: -1.168
local terms energy: -457.249726
where:
bonds (distance) C4'-P energy: -90.383
bonds (distance) P-C4' energy: -114.128
flat angles C4'-P-C4' energy: -113.277
flat angles P-C4'-P energy: -56.246
tors. eta vs tors. theta energy: -83.215
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: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -954.548596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.548596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.548596 (E_RNA)
where:
Base-Base interactions energy: -542.347
where: short stacking energy: -262.260
Base-Backbone interact. energy: -1.678
local terms energy: -410.523422
where:
bonds (distance) C4'-P energy: -118.766
bonds (distance) P-C4' energy: -107.247
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -38.090
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: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -647.014145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.014145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.014145 (E_RNA)
where:
Base-Base interactions energy: -260.315
where: short stacking energy: -195.536
Base-Backbone interact. energy: -3.168
local terms energy: -383.531433
where:
bonds (distance) C4'-P energy: -93.412
bonds (distance) P-C4' energy: -102.905
flat angles C4'-P-C4' energy: -101.252
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -549.155596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.155596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.155596 (E_RNA)
where:
Base-Base interactions energy: -200.793
where: short stacking energy: -149.263
Base-Backbone interact. energy: -2.965
local terms energy: -345.397026
where:
bonds (distance) C4'-P energy: -102.610
bonds (distance) P-C4' energy: -106.895
flat angles C4'-P-C4' energy: -82.589
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: 6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -472.167197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.167197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.167197 (E_RNA)
where:
Base-Base interactions energy: -158.376
where: short stacking energy: -132.799
Base-Backbone interact. energy: 4.441
local terms energy: -318.232254
where:
bonds (distance) C4'-P energy: -83.500
bonds (distance) P-C4' energy: -89.224
flat angles C4'-P-C4' energy: -84.313
flat angles P-C4'-P energy: -70.960
tors. eta vs tors. theta energy: 9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1820.214775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.214775 (E_RNA)
where:
Base-Base interactions energy: -1186.866
where: short stacking energy: -527.496
Base-Backbone interact. energy: 2.629
local terms energy: -635.977332
where:
bonds (distance) C4'-P energy: -117.359
bonds (distance) P-C4' energy: -120.499
flat angles C4'-P-C4' energy: -135.863
flat angles P-C4'-P energy: -101.364
tors. eta vs tors. theta energy: -160.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1724.477212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.477212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.477212 (E_RNA)
where:
Base-Base interactions energy: -1128.089
where: short stacking energy: -490.565
Base-Backbone interact. energy: -0.759
local terms energy: -595.628933
where:
bonds (distance) C4'-P energy: -123.477
bonds (distance) P-C4' energy: -131.080
flat angles C4'-P-C4' energy: -125.410
flat angles P-C4'-P energy: -78.614
tors. eta vs tors. theta energy: -137.047
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: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1649.084710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.084710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.084710 (E_RNA)
where:
Base-Base interactions energy: -1068.934
where: short stacking energy: -492.443
Base-Backbone interact. energy: -2.389
local terms energy: -577.761496
where:
bonds (distance) C4'-P energy: -108.575
bonds (distance) P-C4' energy: -126.247
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -84.930
tors. eta vs tors. theta energy: -139.834
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1470.765342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.765342 (E_RNA)
where:
Base-Base interactions energy: -941.712
where: short stacking energy: -456.055
Base-Backbone interact. energy: -3.310
local terms energy: -525.742526
where:
bonds (distance) C4'-P energy: -106.352
bonds (distance) P-C4' energy: -102.351
flat angles C4'-P-C4' energy: -119.887
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -130.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1342.759815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.759815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.759815 (E_RNA)
where:
Base-Base interactions energy: -832.881
where: short stacking energy: -387.610
Base-Backbone interact. energy: 4.257
local terms energy: -514.136690
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -125.700
flat angles C4'-P-C4' energy: -108.572
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -91.660
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: 34
Temperature: 1.150000
Total energy: -1239.348877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.348877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.348877 (E_RNA)
where:
Base-Base interactions energy: -751.531
where: short stacking energy: -349.007
Base-Backbone interact. energy: -0.134
local terms energy: -487.684437
where:
bonds (distance) C4'-P energy: -118.810
bonds (distance) P-C4' energy: -115.092
flat angles C4'-P-C4' energy: -107.588
flat angles P-C4'-P energy: -69.224
tors. eta vs tors. theta energy: -76.970
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -977.421578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.421578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.421578 (E_RNA)
where:
Base-Base interactions energy: -536.486
where: short stacking energy: -287.461
Base-Backbone interact. energy: -1.046
local terms energy: -439.889010
where:
bonds (distance) C4'-P energy: -86.370
bonds (distance) P-C4' energy: -127.385
flat angles C4'-P-C4' energy: -117.127
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -38.672
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: 34
Temperature: 1.250000
Total energy: -584.314402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.314402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.314402 (E_RNA)
where:
Base-Base interactions energy: -244.040
where: short stacking energy: -173.399
Base-Backbone interact. energy: 0.114
local terms energy: -340.389052
where:
bonds (distance) C4'-P energy: -93.572
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -84.132
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: 11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -524.532623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.532623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.532623 (E_RNA)
where:
Base-Base interactions energy: -195.234
where: short stacking energy: -157.491
Base-Backbone interact. energy: -1.587
local terms energy: -327.712303
where:
bonds (distance) C4'-P energy: -85.039
bonds (distance) P-C4' energy: -97.861
flat angles C4'-P-C4' energy: -81.849
flat angles P-C4'-P energy: -61.829
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -484.992342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.992342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.992342 (E_RNA)
where:
Base-Base interactions energy: -158.053
where: short stacking energy: -124.780
Base-Backbone interact. energy: -0.035
local terms energy: -326.904337
where:
bonds (distance) C4'-P energy: -108.539
bonds (distance) P-C4' energy: -97.494
flat angles C4'-P-C4' energy: -80.740
flat angles P-C4'-P energy: -58.604
tors. eta vs tors. theta energy: 18.473
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: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1873.739263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.739263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.739263 (E_RNA)
where:
Base-Base interactions energy: -1220.212
where: short stacking energy: -557.431
Base-Backbone interact. energy: -1.861
local terms energy: -651.666098
where:
bonds (distance) C4'-P energy: -130.640
bonds (distance) P-C4' energy: -111.706
flat angles C4'-P-C4' energy: -147.620
flat angles P-C4'-P energy: -88.081
tors. eta vs tors. theta energy: -173.620
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: 35
Temperature: 0.950000
Total energy: -1743.274937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.274937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.274937 (E_RNA)
where:
Base-Base interactions energy: -1155.188
where: short stacking energy: -518.464
Base-Backbone interact. energy: -3.106
local terms energy: -584.981387
where:
bonds (distance) C4'-P energy: -118.266
bonds (distance) P-C4' energy: -121.911
flat angles C4'-P-C4' energy: -114.015
flat angles P-C4'-P energy: -97.912
tors. eta vs tors. theta energy: -132.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1646.174852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.174852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.174852 (E_RNA)
where:
Base-Base interactions energy: -1074.152
where: short stacking energy: -489.575
Base-Backbone interact. energy: 2.540
local terms energy: -574.563440
where:
bonds (distance) C4'-P energy: -111.484
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -123.198
flat angles P-C4'-P energy: -68.097
tors. eta vs tors. theta energy: -144.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1425.703181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.703181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.703181 (E_RNA)
where:
Base-Base interactions energy: -892.389
where: short stacking energy: -415.162
Base-Backbone interact. energy: -3.554
local terms energy: -529.760546
where:
bonds (distance) C4'-P energy: -104.706
bonds (distance) P-C4' energy: -107.924
flat angles C4'-P-C4' energy: -119.747
flat angles P-C4'-P energy: -81.283
tors. eta vs tors. theta energy: -116.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1358.796609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.796609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.796609 (E_RNA)
where:
Base-Base interactions energy: -850.742
where: short stacking energy: -386.369
Base-Backbone interact. energy: -2.428
local terms energy: -505.627128
where:
bonds (distance) C4'-P energy: -101.017
bonds (distance) P-C4' energy: -113.820
flat angles C4'-P-C4' energy: -120.243
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -97.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1168.528775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.528775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.528775 (E_RNA)
where:
Base-Base interactions energy: -715.535
where: short stacking energy: -341.028
Base-Backbone interact. energy: 1.694
local terms energy: -454.687080
where:
bonds (distance) C4'-P energy: -108.719
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -110.694
flat angles P-C4'-P energy: -66.851
tors. eta vs tors. theta energy: -70.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -988.156803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.156803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.156803 (E_RNA)
where:
Base-Base interactions energy: -574.762
where: short stacking energy: -273.032
Base-Backbone interact. energy: -2.437
local terms energy: -410.958167
where:
bonds (distance) C4'-P energy: -111.937
bonds (distance) P-C4' energy: -97.432
flat angles C4'-P-C4' energy: -107.632
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: -30.344
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: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -597.506059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.506059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.506059 (E_RNA)
where:
Base-Base interactions energy: -274.817
where: short stacking energy: -196.257
Base-Backbone interact. energy: -0.740
local terms energy: -321.948899
where:
bonds (distance) C4'-P energy: -90.305
bonds (distance) P-C4' energy: -100.378
flat angles C4'-P-C4' energy: -85.480
flat angles P-C4'-P energy: -51.714
tors. eta vs tors. theta energy: 5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -537.952314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.952314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.952314 (E_RNA)
where:
Base-Base interactions energy: -212.390
where: short stacking energy: -158.954
Base-Backbone interact. energy: 7.107
local terms energy: -332.669121
where:
bonds (distance) C4'-P energy: -88.437
bonds (distance) P-C4' energy: -104.534
flat angles C4'-P-C4' energy: -95.690
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: 9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -496.822869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.822869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.822869 (E_RNA)
where:
Base-Base interactions energy: -223.578
where: short stacking energy: -163.903
Base-Backbone interact. energy: 0.803
local terms energy: -274.048331
where:
bonds (distance) C4'-P energy: -91.744
bonds (distance) P-C4' energy: -100.322
flat angles C4'-P-C4' energy: -67.840
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: 11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1896.125381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.125381 (E_RNA)
where:
Base-Base interactions energy: -1233.456
where: short stacking energy: -572.781
Base-Backbone interact. energy: -1.803
local terms energy: -660.866400
where:
bonds (distance) C4'-P energy: -123.815
bonds (distance) P-C4' energy: -133.143
flat angles C4'-P-C4' energy: -147.562
flat angles P-C4'-P energy: -89.431
tors. eta vs tors. theta energy: -166.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1722.800058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.800058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.800058 (E_RNA)
where:
Base-Base interactions energy: -1144.578
where: short stacking energy: -480.480
Base-Backbone interact. energy: -0.036
local terms energy: -578.185397
where:
bonds (distance) C4'-P energy: -118.267
bonds (distance) P-C4' energy: -120.866
flat angles C4'-P-C4' energy: -128.478
flat angles P-C4'-P energy: -82.241
tors. eta vs tors. theta energy: -128.334
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1565.124487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.124487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.124487 (E_RNA)
where:
Base-Base interactions energy: -986.351
where: short stacking energy: -446.494
Base-Backbone interact. energy: -1.871
local terms energy: -576.903251
where:
bonds (distance) C4'-P energy: -122.746
bonds (distance) P-C4' energy: -125.994
flat angles C4'-P-C4' energy: -128.738
flat angles P-C4'-P energy: -75.367
tors. eta vs tors. theta energy: -124.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1485.159144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.159144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.159144 (E_RNA)
where:
Base-Base interactions energy: -922.631
where: short stacking energy: -416.497
Base-Backbone interact. energy: -2.058
local terms energy: -560.469695
where:
bonds (distance) C4'-P energy: -119.981
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -131.059
flat angles P-C4'-P energy: -67.892
tors. eta vs tors. theta energy: -125.827
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: 36
Temperature: 1.100000
Total energy: -1342.955791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.955791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.955791 (E_RNA)
where:
Base-Base interactions energy: -824.519
where: short stacking energy: -396.439
Base-Backbone interact. energy: -5.092
local terms energy: -513.344041
where:
bonds (distance) C4'-P energy: -113.033
bonds (distance) P-C4' energy: -108.321
flat angles C4'-P-C4' energy: -114.254
flat angles P-C4'-P energy: -78.748
tors. eta vs tors. theta energy: -98.988
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: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1140.979536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.979536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.979536 (E_RNA)
where:
Base-Base interactions energy: -693.180
where: short stacking energy: -336.424
Base-Backbone interact. energy: -2.168
local terms energy: -445.631029
where:
bonds (distance) C4'-P energy: -94.977
bonds (distance) P-C4' energy: -111.045
flat angles C4'-P-C4' energy: -102.136
flat angles P-C4'-P energy: -74.658
tors. eta vs tors. theta energy: -62.815
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: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1026.766541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.766541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.766541 (E_RNA)
where:
Base-Base interactions energy: -639.271
where: short stacking energy: -306.926
Base-Backbone interact. energy: 1.277
local terms energy: -388.772535
where:
bonds (distance) C4'-P energy: -76.023
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -105.385
flat angles P-C4'-P energy: -64.793
tors. eta vs tors. theta energy: -45.368
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -606.087741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.087741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.087741 (E_RNA)
where:
Base-Base interactions energy: -285.544
where: short stacking energy: -170.025
Base-Backbone interact. energy: -0.349
local terms energy: -320.194537
where:
bonds (distance) C4'-P energy: -95.530
bonds (distance) P-C4' energy: -104.078
flat angles C4'-P-C4' energy: -92.112
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: 6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -576.493140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.493140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.493140 (E_RNA)
where:
Base-Base interactions energy: -257.868
where: short stacking energy: -179.685
Base-Backbone interact. energy: 6.846
local terms energy: -325.471187
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -114.462
flat angles C4'-P-C4' energy: -74.885
flat angles P-C4'-P energy: -58.995
tors. eta vs tors. theta energy: 19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -552.817303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.817303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.817303 (E_RNA)
where:
Base-Base interactions energy: -228.165
where: short stacking energy: -137.657
Base-Backbone interact. energy: 2.131
local terms energy: -326.783263
where:
bonds (distance) C4'-P energy: -99.214
bonds (distance) P-C4' energy: -108.843
flat angles C4'-P-C4' energy: -83.555
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1879.591918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.591918 (E_RNA)
where:
Base-Base interactions energy: -1216.305
where: short stacking energy: -579.925
Base-Backbone interact. energy: -1.332
local terms energy: -661.955075
where:
bonds (distance) C4'-P energy: -115.321
bonds (distance) P-C4' energy: -129.595
flat angles C4'-P-C4' energy: -146.030
flat angles P-C4'-P energy: -88.518
tors. eta vs tors. theta energy: -182.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1703.676833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.676833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.676833 (E_RNA)
where:
Base-Base interactions energy: -1101.565
where: short stacking energy: -465.883
Base-Backbone interact. energy: 0.562
local terms energy: -602.674216
where:
bonds (distance) C4'-P energy: -121.143
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -125.801
flat angles P-C4'-P energy: -93.585
tors. eta vs tors. theta energy: -142.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1569.606537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.606537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.606537 (E_RNA)
where:
Base-Base interactions energy: -1014.331
where: short stacking energy: -473.808
Base-Backbone interact. energy: -0.934
local terms energy: -554.341778
where:
bonds (distance) C4'-P energy: -106.136
bonds (distance) P-C4' energy: -129.083
flat angles C4'-P-C4' energy: -127.351
flat angles P-C4'-P energy: -67.966
tors. eta vs tors. theta energy: -123.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1411.424489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.424489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.424489 (E_RNA)
where:
Base-Base interactions energy: -888.988
where: short stacking energy: -397.580
Base-Backbone interact. energy: 4.475
local terms energy: -526.911839
where:
bonds (distance) C4'-P energy: -106.754
bonds (distance) P-C4' energy: -117.338
flat angles C4'-P-C4' energy: -121.362
flat angles P-C4'-P energy: -66.280
tors. eta vs tors. theta energy: -115.178
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1344.537383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.537383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.537383 (E_RNA)
where:
Base-Base interactions energy: -833.826
where: short stacking energy: -385.366
Base-Backbone interact. energy: -1.814
local terms energy: -508.897241
where:
bonds (distance) C4'-P energy: -118.817
bonds (distance) P-C4' energy: -92.847
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -110.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1115.806593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.806593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.806593 (E_RNA)
where:
Base-Base interactions energy: -663.403
where: short stacking energy: -348.759
Base-Backbone interact. energy: -1.669
local terms energy: -450.734390
where:
bonds (distance) C4'-P energy: -99.558
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -99.121
flat angles P-C4'-P energy: -63.802
tors. eta vs tors. theta energy: -73.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -986.136536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.136536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.136536 (E_RNA)
where:
Base-Base interactions energy: -581.994
where: short stacking energy: -296.221
Base-Backbone interact. energy: 2.361
local terms energy: -406.503034
where:
bonds (distance) C4'-P energy: -101.927
bonds (distance) P-C4' energy: -108.146
flat angles C4'-P-C4' energy: -86.420
flat angles P-C4'-P energy: -58.858
tors. eta vs tors. theta energy: -51.153
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: 37
Temperature: 1.250000
Total energy: -633.141409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.141409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.141409 (E_RNA)
where:
Base-Base interactions energy: -269.114
where: short stacking energy: -182.487
Base-Backbone interact. energy: -0.807
local terms energy: -363.221203
where:
bonds (distance) C4'-P energy: -98.969
bonds (distance) P-C4' energy: -111.457
flat angles C4'-P-C4' energy: -98.815
flat angles P-C4'-P energy: -70.451
tors. eta vs tors. theta energy: 16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -557.173503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.173503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.173503 (E_RNA)
where:
Base-Base interactions energy: -227.755
where: short stacking energy: -141.488
Base-Backbone interact. energy: -2.184
local terms energy: -327.234986
where:
bonds (distance) C4'-P energy: -95.040
bonds (distance) P-C4' energy: -99.802
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -54.005
tors. eta vs tors. theta energy: 23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -556.891760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.891760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.891760 (E_RNA)
where:
Base-Base interactions energy: -226.769
where: short stacking energy: -176.078
Base-Backbone interact. energy: -2.384
local terms energy: -327.739267
where:
bonds (distance) C4'-P energy: -91.704
bonds (distance) P-C4' energy: -100.442
flat angles C4'-P-C4' energy: -71.899
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: 5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1875.585003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.585003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.585003 (E_RNA)
where:
Base-Base interactions energy: -1205.094
where: short stacking energy: -577.816
Base-Backbone interact. energy: -2.905
local terms energy: -667.585873
where:
bonds (distance) C4'-P energy: -137.210
bonds (distance) P-C4' energy: -129.761
flat angles C4'-P-C4' energy: -138.803
flat angles P-C4'-P energy: -89.706
tors. eta vs tors. theta energy: -172.106
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1686.560236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.560236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.560236 (E_RNA)
where:
Base-Base interactions energy: -1091.542
where: short stacking energy: -475.872
Base-Backbone interact. energy: -1.707
local terms energy: -593.312010
where:
bonds (distance) C4'-P energy: -118.702
bonds (distance) P-C4' energy: -115.009
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -134.468
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1521.806056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.806056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.806056 (E_RNA)
where:
Base-Base interactions energy: -962.859
where: short stacking energy: -445.340
Base-Backbone interact. energy: -0.483
local terms energy: -558.464201
where:
bonds (distance) C4'-P energy: -115.044
bonds (distance) P-C4' energy: -126.843
flat angles C4'-P-C4' energy: -133.029
flat angles P-C4'-P energy: -64.497
tors. eta vs tors. theta energy: -119.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1438.746435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.746435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.746435 (E_RNA)
where:
Base-Base interactions energy: -910.396
where: short stacking energy: -435.085
Base-Backbone interact. energy: -0.065
local terms energy: -528.285914
where:
bonds (distance) C4'-P energy: -111.367
bonds (distance) P-C4' energy: -117.918
flat angles C4'-P-C4' energy: -122.165
flat angles P-C4'-P energy: -64.372
tors. eta vs tors. theta energy: -112.464
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1302.748764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.748764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.748764 (E_RNA)
where:
Base-Base interactions energy: -827.628
where: short stacking energy: -386.397
Base-Backbone interact. energy: -2.143
local terms energy: -472.977428
where:
bonds (distance) C4'-P energy: -99.845
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -112.042
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -79.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1148.315601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.315601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.315601 (E_RNA)
where:
Base-Base interactions energy: -652.026
where: short stacking energy: -316.033
Base-Backbone interact. energy: -1.802
local terms energy: -494.487270
where:
bonds (distance) C4'-P energy: -123.092
bonds (distance) P-C4' energy: -101.058
flat angles C4'-P-C4' energy: -117.067
flat angles P-C4'-P energy: -84.984
tors. eta vs tors. theta energy: -68.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1009.190917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.190917 (E_RNA)
where:
Base-Base interactions energy: -571.067
where: short stacking energy: -254.717
Base-Backbone interact. energy: -1.702
local terms energy: -436.422677
where:
bonds (distance) C4'-P energy: -113.328
bonds (distance) P-C4' energy: -115.647
flat angles C4'-P-C4' energy: -103.059
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -31.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -643.808411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.808411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.808411 (E_RNA)
where:
Base-Base interactions energy: -265.823
where: short stacking energy: -195.138
Base-Backbone interact. energy: -0.833
local terms energy: -377.151997
where:
bonds (distance) C4'-P energy: -104.594
bonds (distance) P-C4' energy: -103.945
flat angles C4'-P-C4' energy: -106.653
flat angles P-C4'-P energy: -50.900
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -556.430496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.430496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.430496 (E_RNA)
where:
Base-Base interactions energy: -215.016
where: short stacking energy: -152.366
Base-Backbone interact. energy: 2.203
local terms energy: -343.617114
where:
bonds (distance) C4'-P energy: -98.064
bonds (distance) P-C4' energy: -96.333
flat angles C4'-P-C4' energy: -95.228
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -452.928670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.928670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.928670 (E_RNA)
where:
Base-Base interactions energy: -164.971
where: short stacking energy: -114.750
Base-Backbone interact. energy: -0.388
local terms energy: -287.569496
where:
bonds (distance) C4'-P energy: -81.643
bonds (distance) P-C4' energy: -105.347
flat angles C4'-P-C4' energy: -90.355
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: 41.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1901.094977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.094977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.094977 (E_RNA)
where:
Base-Base interactions energy: -1256.914
where: short stacking energy: -555.278
Base-Backbone interact. energy: 0.938
local terms energy: -645.119547
where:
bonds (distance) C4'-P energy: -128.147
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -139.532
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -173.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1770.430122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.430122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.430122 (E_RNA)
where:
Base-Base interactions energy: -1169.555
where: short stacking energy: -526.805
Base-Backbone interact. energy: -3.324
local terms energy: -597.551816
where:
bonds (distance) C4'-P energy: -111.182
bonds (distance) P-C4' energy: -120.690
flat angles C4'-P-C4' energy: -134.208
flat angles P-C4'-P energy: -74.594
tors. eta vs tors. theta energy: -156.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1549.429715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.429715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.429715 (E_RNA)
where:
Base-Base interactions energy: -991.336
where: short stacking energy: -431.622
Base-Backbone interact. energy: -0.264
local terms energy: -557.829980
where:
bonds (distance) C4'-P energy: -112.082
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -128.295
flat angles P-C4'-P energy: -79.469
tors. eta vs tors. theta energy: -123.907
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: 39
Temperature: 1.050000
Total energy: -1497.677533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.677533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.677533 (E_RNA)
where:
Base-Base interactions energy: -960.166
where: short stacking energy: -430.327
Base-Backbone interact. energy: -3.108
local terms energy: -534.403226
where:
bonds (distance) C4'-P energy: -104.961
bonds (distance) P-C4' energy: -107.299
flat angles C4'-P-C4' energy: -118.682
flat angles P-C4'-P energy: -97.010
tors. eta vs tors. theta energy: -106.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1311.982820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.982820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.982820 (E_RNA)
where:
Base-Base interactions energy: -813.467
where: short stacking energy: -379.804
Base-Backbone interact. energy: 0.559
local terms energy: -499.075273
where:
bonds (distance) C4'-P energy: -110.547
bonds (distance) P-C4' energy: -94.118
flat angles C4'-P-C4' energy: -122.665
flat angles P-C4'-P energy: -73.859
tors. eta vs tors. theta energy: -97.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1119.914324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.914324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.914324 (E_RNA)
where:
Base-Base interactions energy: -651.605
where: short stacking energy: -333.181
Base-Backbone interact. energy: -0.569
local terms energy: -467.740700
where:
bonds (distance) C4'-P energy: -113.792
bonds (distance) P-C4' energy: -108.647
flat angles C4'-P-C4' energy: -116.576
flat angles P-C4'-P energy: -57.754
tors. eta vs tors. theta energy: -70.972
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: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1058.944653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.944653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.944653 (E_RNA)
where:
Base-Base interactions energy: -662.982
where: short stacking energy: -287.136
Base-Backbone interact. energy: 5.983
local terms energy: -401.945597
where:
bonds (distance) C4'-P energy: -99.892
bonds (distance) P-C4' energy: -98.218
flat angles C4'-P-C4' energy: -96.988
flat angles P-C4'-P energy: -62.382
tors. eta vs tors. theta energy: -44.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -615.660200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.660200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.660200 (E_RNA)
where:
Base-Base interactions energy: -280.021
where: short stacking energy: -189.441
Base-Backbone interact. energy: -2.256
local terms energy: -333.383444
where:
bonds (distance) C4'-P energy: -101.465
bonds (distance) P-C4' energy: -108.538
flat angles C4'-P-C4' energy: -92.432
flat angles P-C4'-P energy: -40.373
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: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -640.691725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.691725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.691725 (E_RNA)
where:
Base-Base interactions energy: -299.530
where: short stacking energy: -157.445
Base-Backbone interact. energy: 0.936
local terms energy: -342.097619
where:
bonds (distance) C4'-P energy: -108.564
bonds (distance) P-C4' energy: -105.575
flat angles C4'-P-C4' energy: -83.517
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: 6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -431.201591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.201591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.201591 (E_RNA)
where:
Base-Base interactions energy: -98.983
where: short stacking energy: -81.397
Base-Backbone interact. energy: -0.093
local terms energy: -332.125575
where:
bonds (distance) C4'-P energy: -107.566
bonds (distance) P-C4' energy: -118.792
flat angles C4'-P-C4' energy: -100.760
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: 39.049
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: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1912.343743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.343743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.343743 (E_RNA)
where:
Base-Base interactions energy: -1274.104
where: short stacking energy: -582.913
Base-Backbone interact. energy: -3.021
local terms energy: -635.218815
where:
bonds (distance) C4'-P energy: -110.251
bonds (distance) P-C4' energy: -122.711
flat angles C4'-P-C4' energy: -140.451
flat angles P-C4'-P energy: -83.492
tors. eta vs tors. theta energy: -178.313
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: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1753.785113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.785113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.785113 (E_RNA)
where:
Base-Base interactions energy: -1133.810
where: short stacking energy: -501.130
Base-Backbone interact. energy: -0.716
local terms energy: -619.259057
where:
bonds (distance) C4'-P energy: -116.783
bonds (distance) P-C4' energy: -129.184
flat angles C4'-P-C4' energy: -131.739
flat angles P-C4'-P energy: -89.943
tors. eta vs tors. theta energy: -151.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1534.457983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.457983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.457983 (E_RNA)
where:
Base-Base interactions energy: -960.087
where: short stacking energy: -436.275
Base-Backbone interact. energy: -1.268
local terms energy: -573.103384
where:
bonds (distance) C4'-P energy: -117.864
bonds (distance) P-C4' energy: -117.326
flat angles C4'-P-C4' energy: -130.214
flat angles P-C4'-P energy: -93.577
tors. eta vs tors. theta energy: -114.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1512.053533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.053533 (E_RNA)
where:
Base-Base interactions energy: -973.101
where: short stacking energy: -456.806
Base-Backbone interact. energy: -1.078
local terms energy: -537.874561
where:
bonds (distance) C4'-P energy: -106.079
bonds (distance) P-C4' energy: -108.387
flat angles C4'-P-C4' energy: -119.037
flat angles P-C4'-P energy: -80.703
tors. eta vs tors. theta energy: -123.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1321.934554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.934554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.934554 (E_RNA)
where:
Base-Base interactions energy: -813.818
where: short stacking energy: -390.795
Base-Backbone interact. energy: -2.662
local terms energy: -505.454155
where:
bonds (distance) C4'-P energy: -102.600
bonds (distance) P-C4' energy: -115.481
flat angles C4'-P-C4' energy: -111.446
flat angles P-C4'-P energy: -76.548
tors. eta vs tors. theta energy: -99.379
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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1124.044268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.044268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.044268 (E_RNA)
where:
Base-Base interactions energy: -657.655
where: short stacking energy: -324.233
Base-Backbone interact. energy: 0.010
local terms energy: -466.398784
where:
bonds (distance) C4'-P energy: -92.216
bonds (distance) P-C4' energy: -109.188
flat angles C4'-P-C4' energy: -111.039
flat angles P-C4'-P energy: -70.405
tors. eta vs tors. theta energy: -83.551
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: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1073.209106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.209106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.209106 (E_RNA)
where:
Base-Base interactions energy: -643.615
where: short stacking energy: -287.294
Base-Backbone interact. energy: -3.053
local terms energy: -426.540373
where:
bonds (distance) C4'-P energy: -94.882
bonds (distance) P-C4' energy: -102.407
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -44.180
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -612.012105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.012105 (E_RNA)
where:
Base-Base interactions energy: -250.161
where: short stacking energy: -186.225
Base-Backbone interact. energy: 2.276
local terms energy: -364.126586
where:
bonds (distance) C4'-P energy: -100.384
bonds (distance) P-C4' energy: -103.070
flat angles C4'-P-C4' energy: -91.265
flat angles P-C4'-P energy: -65.072
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -615.004505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.004505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.004505 (E_RNA)
where:
Base-Base interactions energy: -293.310
where: short stacking energy: -169.547
Base-Backbone interact. energy: -2.374
local terms energy: -319.320923
where:
bonds (distance) C4'-P energy: -102.425
bonds (distance) P-C4' energy: -101.167
flat angles C4'-P-C4' energy: -81.314
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: 10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -454.831167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.831167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.831167 (E_RNA)
where:
Base-Base interactions energy: -171.600
where: short stacking energy: -130.053
Base-Backbone interact. energy: -0.523
local terms energy: -282.707736
where:
bonds (distance) C4'-P energy: -94.735
bonds (distance) P-C4' energy: -110.310
flat angles C4'-P-C4' energy: -76.113
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: 19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1887.559885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.559885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.559885 (E_RNA)
where:
Base-Base interactions energy: -1239.539
where: short stacking energy: -563.516
Base-Backbone interact. energy: 0.807
local terms energy: -648.827193
where:
bonds (distance) C4'-P energy: -123.038
bonds (distance) P-C4' energy: -117.974
flat angles C4'-P-C4' energy: -142.282
flat angles P-C4'-P energy: -88.252
tors. eta vs tors. theta energy: -177.281
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1745.334277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.334277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.334277 (E_RNA)
where:
Base-Base interactions energy: -1151.639
where: short stacking energy: -481.163
Base-Backbone interact. energy: -4.793
local terms energy: -588.902239
where:
bonds (distance) C4'-P energy: -125.906
bonds (distance) P-C4' energy: -126.736
flat angles C4'-P-C4' energy: -118.994
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -128.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1523.311403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.311403 (E_RNA)
where:
Base-Base interactions energy: -965.887
where: short stacking energy: -459.277
Base-Backbone interact. energy: -2.242
local terms energy: -555.182064
where:
bonds (distance) C4'-P energy: -109.163
bonds (distance) P-C4' energy: -128.015
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -124.591
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: 41
Temperature: 1.050000
Total energy: -1584.527786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.527786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.527786 (E_RNA)
where:
Base-Base interactions energy: -1025.869
where: short stacking energy: -472.613
Base-Backbone interact. energy: -2.815
local terms energy: -555.844246
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -120.508
flat angles C4'-P-C4' energy: -106.894
flat angles P-C4'-P energy: -85.907
tors. eta vs tors. theta energy: -135.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1330.499786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.499786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.499786 (E_RNA)
where:
Base-Base interactions energy: -833.100
where: short stacking energy: -361.748
Base-Backbone interact. energy: 0.394
local terms energy: -497.793903
where:
bonds (distance) C4'-P energy: -114.119
bonds (distance) P-C4' energy: -113.434
flat angles C4'-P-C4' energy: -111.864
flat angles P-C4'-P energy: -63.217
tors. eta vs tors. theta energy: -95.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1116.991409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.991409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.991409 (E_RNA)
where:
Base-Base interactions energy: -663.500
where: short stacking energy: -325.314
Base-Backbone interact. energy: 0.542
local terms energy: -454.032774
where:
bonds (distance) C4'-P energy: -99.576
bonds (distance) P-C4' energy: -116.554
flat angles C4'-P-C4' energy: -112.091
flat angles P-C4'-P energy: -56.164
tors. eta vs tors. theta energy: -69.647
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -985.221044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.221044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.221044 (E_RNA)
where:
Base-Base interactions energy: -565.478
where: short stacking energy: -264.771
Base-Backbone interact. energy: 0.150
local terms energy: -419.893342
where:
bonds (distance) C4'-P energy: -101.712
bonds (distance) P-C4' energy: -99.729
flat angles C4'-P-C4' energy: -118.254
flat angles P-C4'-P energy: -64.724
tors. eta vs tors. theta energy: -35.473
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: 41
Temperature: 1.250000
Total energy: -646.452813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.452813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.452813 (E_RNA)
where:
Base-Base interactions energy: -293.172
where: short stacking energy: -205.561
Base-Backbone interact. energy: -1.339
local terms energy: -351.941725
where:
bonds (distance) C4'-P energy: -104.762
bonds (distance) P-C4' energy: -100.385
flat angles C4'-P-C4' energy: -111.082
flat angles P-C4'-P energy: -37.229
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: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -526.740667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.740667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.740667 (E_RNA)
where:
Base-Base interactions energy: -178.981
where: short stacking energy: -154.210
Base-Backbone interact. energy: 6.089
local terms energy: -353.848208
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -116.284
flat angles C4'-P-C4' energy: -94.802
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: 11.709
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: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -476.097853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.097853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.097853 (E_RNA)
where:
Base-Base interactions energy: -171.722
where: short stacking energy: -140.601
Base-Backbone interact. energy: -0.956
local terms energy: -303.420611
where:
bonds (distance) C4'-P energy: -79.101
bonds (distance) P-C4' energy: -107.733
flat angles C4'-P-C4' energy: -77.539
flat angles P-C4'-P energy: -66.566
tors. eta vs tors. theta energy: 27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1930.707163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.707163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.707163 (E_RNA)
where:
Base-Base interactions energy: -1288.927
where: short stacking energy: -575.505
Base-Backbone interact. energy: -2.171
local terms energy: -639.609558
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -115.335
flat angles C4'-P-C4' energy: -141.541
flat angles P-C4'-P energy: -103.711
tors. eta vs tors. theta energy: -165.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1746.529867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.529867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.529867 (E_RNA)
where:
Base-Base interactions energy: -1141.084
where: short stacking energy: -453.374
Base-Backbone interact. energy: -2.498
local terms energy: -602.947879
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -119.358
flat angles C4'-P-C4' energy: -138.605
flat angles P-C4'-P energy: -97.503
tors. eta vs tors. theta energy: -129.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1671.306944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.306944 (E_RNA)
where:
Base-Base interactions energy: -1069.230
where: short stacking energy: -461.612
Base-Backbone interact. energy: -1.712
local terms energy: -600.365042
where:
bonds (distance) C4'-P energy: -124.155
bonds (distance) P-C4' energy: -128.670
flat angles C4'-P-C4' energy: -127.474
flat angles P-C4'-P energy: -89.714
tors. eta vs tors. theta energy: -130.353
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1442.910330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.910330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.910330 (E_RNA)
where:
Base-Base interactions energy: -905.186
where: short stacking energy: -421.026
Base-Backbone interact. energy: -1.124
local terms energy: -536.599616
where:
bonds (distance) C4'-P energy: -123.641
bonds (distance) P-C4' energy: -120.386
flat angles C4'-P-C4' energy: -116.080
flat angles P-C4'-P energy: -80.247
tors. eta vs tors. theta energy: -96.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1343.615947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.615947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.615947 (E_RNA)
where:
Base-Base interactions energy: -834.629
where: short stacking energy: -373.167
Base-Backbone interact. energy: -2.205
local terms energy: -506.782061
where:
bonds (distance) C4'-P energy: -103.277
bonds (distance) P-C4' energy: -117.171
flat angles C4'-P-C4' energy: -127.873
flat angles P-C4'-P energy: -53.957
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1182.031987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.031987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.031987 (E_RNA)
where:
Base-Base interactions energy: -716.151
where: short stacking energy: -361.321
Base-Backbone interact. energy: -2.726
local terms energy: -463.154188
where:
bonds (distance) C4'-P energy: -86.267
bonds (distance) P-C4' energy: -113.996
flat angles C4'-P-C4' energy: -108.281
flat angles P-C4'-P energy: -65.045
tors. eta vs tors. theta energy: -89.565
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: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -947.982729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.982729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.982729 (E_RNA)
where:
Base-Base interactions energy: -547.638
where: short stacking energy: -260.723
Base-Backbone interact. energy: 0.505
local terms energy: -400.849831
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -109.856
flat angles C4'-P-C4' energy: -98.018
flat angles P-C4'-P energy: -61.906
tors. eta vs tors. theta energy: -33.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -690.223586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.223586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.223586 (E_RNA)
where:
Base-Base interactions energy: -347.761
where: short stacking energy: -181.542
Base-Backbone interact. energy: -0.602
local terms energy: -341.860611
where:
bonds (distance) C4'-P energy: -82.704
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -558.223805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.223805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.223805 (E_RNA)
where:
Base-Base interactions energy: -226.965
where: short stacking energy: -176.825
Base-Backbone interact. energy: -1.650
local terms energy: -329.608893
where:
bonds (distance) C4'-P energy: -100.309
bonds (distance) P-C4' energy: -99.372
flat angles C4'-P-C4' energy: -98.752
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: 10.518
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: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -493.474869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.474869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.474869 (E_RNA)
where:
Base-Base interactions energy: -176.203
where: short stacking energy: -132.036
Base-Backbone interact. energy: -1.243
local terms energy: -316.028948
where:
bonds (distance) C4'-P energy: -98.712
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -90.248
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: 18.504
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1939.163909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.163909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.163909 (E_RNA)
where:
Base-Base interactions energy: -1300.642
where: short stacking energy: -562.262
Base-Backbone interact. energy: -3.532
local terms energy: -634.990138
where:
bonds (distance) C4'-P energy: -131.553
bonds (distance) P-C4' energy: -123.561
flat angles C4'-P-C4' energy: -134.265
flat angles P-C4'-P energy: -79.049
tors. eta vs tors. theta energy: -166.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1786.762347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.762347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.762347 (E_RNA)
where:
Base-Base interactions energy: -1164.771
where: short stacking energy: -519.426
Base-Backbone interact. energy: -3.869
local terms energy: -618.122649
where:
bonds (distance) C4'-P energy: -108.380
bonds (distance) P-C4' energy: -115.199
flat angles C4'-P-C4' energy: -133.819
flat angles P-C4'-P energy: -94.423
tors. eta vs tors. theta energy: -166.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1731.750353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.750353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.750353 (E_RNA)
where:
Base-Base interactions energy: -1133.811
where: short stacking energy: -483.338
Base-Backbone interact. energy: -2.688
local terms energy: -595.251402
where:
bonds (distance) C4'-P energy: -114.819
bonds (distance) P-C4' energy: -124.685
flat angles C4'-P-C4' energy: -127.877
flat angles P-C4'-P energy: -82.737
tors. eta vs tors. theta energy: -145.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1487.231033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.231033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.231033 (E_RNA)
where:
Base-Base interactions energy: -932.540
where: short stacking energy: -420.392
Base-Backbone interact. energy: -4.042
local terms energy: -550.648531
where:
bonds (distance) C4'-P energy: -118.498
bonds (distance) P-C4' energy: -115.089
flat angles C4'-P-C4' energy: -122.142
flat angles P-C4'-P energy: -85.153
tors. eta vs tors. theta energy: -109.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1309.498515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.498515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.498515 (E_RNA)
where:
Base-Base interactions energy: -826.610
where: short stacking energy: -387.016
Base-Backbone interact. energy: 1.672
local terms energy: -484.560510
where:
bonds (distance) C4'-P energy: -110.978
bonds (distance) P-C4' energy: -103.891
flat angles C4'-P-C4' energy: -115.245
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -91.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1217.289434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.289434 (E_RNA)
where:
Base-Base interactions energy: -733.811
where: short stacking energy: -369.317
Base-Backbone interact. energy: -2.299
local terms energy: -481.178841
where:
bonds (distance) C4'-P energy: -101.036
bonds (distance) P-C4' energy: -107.506
flat angles C4'-P-C4' energy: -114.209
flat angles P-C4'-P energy: -63.942
tors. eta vs tors. theta energy: -94.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -937.837323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.837323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.837323 (E_RNA)
where:
Base-Base interactions energy: -524.762
where: short stacking energy: -250.801
Base-Backbone interact. energy: -0.871
local terms energy: -412.204425
where:
bonds (distance) C4'-P energy: -102.772
bonds (distance) P-C4' energy: -114.200
flat angles C4'-P-C4' energy: -98.272
flat angles P-C4'-P energy: -70.856
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -682.640257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.640257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.640257 (E_RNA)
where:
Base-Base interactions energy: -334.720
where: short stacking energy: -210.487
Base-Backbone interact. energy: -2.707
local terms energy: -345.213710
where:
bonds (distance) C4'-P energy: -82.512
bonds (distance) P-C4' energy: -101.187
flat angles C4'-P-C4' energy: -65.278
flat angles P-C4'-P energy: -62.265
tors. eta vs tors. theta energy: -33.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -576.602218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.602218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.602218 (E_RNA)
where:
Base-Base interactions energy: -228.746
where: short stacking energy: -147.573
Base-Backbone interact. energy: -3.306
local terms energy: -344.550010
where:
bonds (distance) C4'-P energy: -88.111
bonds (distance) P-C4' energy: -104.073
flat angles C4'-P-C4' energy: -99.006
flat angles P-C4'-P energy: -52.750
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -500.442908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.442908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.442908 (E_RNA)
where:
Base-Base interactions energy: -191.743
where: short stacking energy: -130.380
Base-Backbone interact. energy: -1.380
local terms energy: -307.319759
where:
bonds (distance) C4'-P energy: -97.523
bonds (distance) P-C4' energy: -93.525
flat angles C4'-P-C4' energy: -91.222
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: 18.580
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: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1906.864256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.864256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.864256 (E_RNA)
where:
Base-Base interactions energy: -1256.070
where: short stacking energy: -546.786
Base-Backbone interact. energy: -2.810
local terms energy: -647.984355
where:
bonds (distance) C4'-P energy: -110.067
bonds (distance) P-C4' energy: -130.681
flat angles C4'-P-C4' energy: -145.303
flat angles P-C4'-P energy: -101.087
tors. eta vs tors. theta energy: -160.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1783.339276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.339276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.339276 (E_RNA)
where:
Base-Base interactions energy: -1175.775
where: short stacking energy: -507.533
Base-Backbone interact. energy: -0.621
local terms energy: -606.942587
where:
bonds (distance) C4'-P energy: -119.400
bonds (distance) P-C4' energy: -126.600
flat angles C4'-P-C4' energy: -137.192
flat angles P-C4'-P energy: -70.603
tors. eta vs tors. theta energy: -153.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1802.424557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.424557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.424557 (E_RNA)
where:
Base-Base interactions energy: -1211.656
where: short stacking energy: -527.106
Base-Backbone interact. energy: -1.156
local terms energy: -589.613064
where:
bonds (distance) C4'-P energy: -117.844
bonds (distance) P-C4' energy: -121.278
flat angles C4'-P-C4' energy: -122.992
flat angles P-C4'-P energy: -75.166
tors. eta vs tors. theta energy: -152.334
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1515.535102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.535102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.535102 (E_RNA)
where:
Base-Base interactions energy: -983.216
where: short stacking energy: -443.466
Base-Backbone interact. energy: 3.111
local terms energy: -535.430339
where:
bonds (distance) C4'-P energy: -110.004
bonds (distance) P-C4' energy: -126.675
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -71.976
tors. eta vs tors. theta energy: -109.435
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: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1321.264706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.264706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.264706 (E_RNA)
where:
Base-Base interactions energy: -836.091
where: short stacking energy: -402.901
Base-Backbone interact. energy: 0.464
local terms energy: -485.638461
where:
bonds (distance) C4'-P energy: -93.797
bonds (distance) P-C4' energy: -99.598
flat angles C4'-P-C4' energy: -112.348
flat angles P-C4'-P energy: -71.244
tors. eta vs tors. theta energy: -108.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1200.562533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.562533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.562533 (E_RNA)
where:
Base-Base interactions energy: -699.214
where: short stacking energy: -338.107
Base-Backbone interact. energy: -1.897
local terms energy: -499.451631
where:
bonds (distance) C4'-P energy: -90.275
bonds (distance) P-C4' energy: -117.588
flat angles C4'-P-C4' energy: -124.225
flat angles P-C4'-P energy: -72.915
tors. eta vs tors. theta energy: -94.448
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -985.085717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.085717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.085717 (E_RNA)
where:
Base-Base interactions energy: -550.210
where: short stacking energy: -274.230
Base-Backbone interact. energy: 2.185
local terms energy: -437.060692
where:
bonds (distance) C4'-P energy: -116.888
bonds (distance) P-C4' energy: -88.608
flat angles C4'-P-C4' energy: -124.985
flat angles P-C4'-P energy: -65.003
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -680.404580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.404580 (E_RNA)
where:
Base-Base interactions energy: -342.610
where: short stacking energy: -171.247
Base-Backbone interact. energy: -1.189
local terms energy: -336.606342
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -100.686
flat angles C4'-P-C4' energy: -92.257
flat angles P-C4'-P energy: -56.574
tors. eta vs tors. theta energy: 7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -545.237857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.237857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.237857 (E_RNA)
where:
Base-Base interactions energy: -230.656
where: short stacking energy: -150.033
Base-Backbone interact. energy: 5.923
local terms energy: -320.504863
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -101.743
flat angles C4'-P-C4' energy: -90.114
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: 20.507
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: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -474.149580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.149580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.149580 (E_RNA)
where:
Base-Base interactions energy: -155.429
where: short stacking energy: -129.459
Base-Backbone interact. energy: 2.603
local terms energy: -321.323512
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -100.124
flat angles C4'-P-C4' energy: -99.661
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: 13.350
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: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1929.597338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.597338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.597338 (E_RNA)
where:
Base-Base interactions energy: -1289.180
where: short stacking energy: -544.819
Base-Backbone interact. energy: -0.710
local terms energy: -639.707154
where:
bonds (distance) C4'-P energy: -121.756
bonds (distance) P-C4' energy: -124.061
flat angles C4'-P-C4' energy: -131.107
flat angles P-C4'-P energy: -86.738
tors. eta vs tors. theta energy: -176.045
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1800.459275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.459275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.459275 (E_RNA)
where:
Base-Base interactions energy: -1167.614
where: short stacking energy: -491.246
Base-Backbone interact. energy: -4.856
local terms energy: -627.989144
where:
bonds (distance) C4'-P energy: -123.314
bonds (distance) P-C4' energy: -123.053
flat angles C4'-P-C4' energy: -142.552
flat angles P-C4'-P energy: -83.201
tors. eta vs tors. theta energy: -155.870
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: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1790.644790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.644790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.644790 (E_RNA)
where:
Base-Base interactions energy: -1171.465
where: short stacking energy: -504.920
Base-Backbone interact. energy: 2.976
local terms energy: -622.156206
where:
bonds (distance) C4'-P energy: -126.374
bonds (distance) P-C4' energy: -121.766
flat angles C4'-P-C4' energy: -132.597
flat angles P-C4'-P energy: -95.103
tors. eta vs tors. theta energy: -146.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1549.977097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.977097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.977097 (E_RNA)
where:
Base-Base interactions energy: -997.842
where: short stacking energy: -463.480
Base-Backbone interact. energy: -2.510
local terms energy: -549.625304
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -105.585
flat angles C4'-P-C4' energy: -115.397
flat angles P-C4'-P energy: -69.197
tors. eta vs tors. theta energy: -133.885
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: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1250.297471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.297471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.297471 (E_RNA)
where:
Base-Base interactions energy: -750.925
where: short stacking energy: -359.983
Base-Backbone interact. energy: 1.877
local terms energy: -501.249892
where:
bonds (distance) C4'-P energy: -112.858
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -117.096
flat angles P-C4'-P energy: -71.396
tors. eta vs tors. theta energy: -80.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1237.208323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.208323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.208323 (E_RNA)
where:
Base-Base interactions energy: -762.256
where: short stacking energy: -363.146
Base-Backbone interact. energy: -2.941
local terms energy: -472.011512
where:
bonds (distance) C4'-P energy: -101.506
bonds (distance) P-C4' energy: -109.009
flat angles C4'-P-C4' energy: -110.778
flat angles P-C4'-P energy: -61.546
tors. eta vs tors. theta energy: -89.172
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -986.334954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.334954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.334954 (E_RNA)
where:
Base-Base interactions energy: -535.214
where: short stacking energy: -254.334
Base-Backbone interact. energy: 1.495
local terms energy: -452.615579
where:
bonds (distance) C4'-P energy: -120.108
bonds (distance) P-C4' energy: -128.598
flat angles C4'-P-C4' energy: -111.190
flat angles P-C4'-P energy: -61.339
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -627.167641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.167641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.167641 (E_RNA)
where:
Base-Base interactions energy: -302.802
where: short stacking energy: -198.138
Base-Backbone interact. energy: 2.668
local terms energy: -327.033622
where:
bonds (distance) C4'-P energy: -88.834
bonds (distance) P-C4' energy: -101.574
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: 2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -580.172278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.172278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.172278 (E_RNA)
where:
Base-Base interactions energy: -253.550
where: short stacking energy: -137.187
Base-Backbone interact. energy: -3.629
local terms energy: -322.993611
where:
bonds (distance) C4'-P energy: -77.667
bonds (distance) P-C4' energy: -110.147
flat angles C4'-P-C4' energy: -94.864
flat angles P-C4'-P energy: -54.652
tors. eta vs tors. theta energy: 14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -461.335815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.335815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.335815 (E_RNA)
where:
Base-Base interactions energy: -146.029
where: short stacking energy: -106.855
Base-Backbone interact. energy: -1.983
local terms energy: -313.323868
where:
bonds (distance) C4'-P energy: -94.660
bonds (distance) P-C4' energy: -105.417
flat angles C4'-P-C4' energy: -81.582
flat angles P-C4'-P energy: -50.628
tors. eta vs tors. theta energy: 18.963
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1909.528002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.528002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.528002 (E_RNA)
where:
Base-Base interactions energy: -1267.074
where: short stacking energy: -545.212
Base-Backbone interact. energy: -0.564
local terms energy: -641.889612
where:
bonds (distance) C4'-P energy: -128.203
bonds (distance) P-C4' energy: -123.834
flat angles C4'-P-C4' energy: -134.515
flat angles P-C4'-P energy: -94.233
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: 46
Temperature: 0.950000
Total energy: -1738.467977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.467977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.467977 (E_RNA)
where:
Base-Base interactions energy: -1161.449
where: short stacking energy: -494.488
Base-Backbone interact. energy: -2.985
local terms energy: -574.033598
where:
bonds (distance) C4'-P energy: -117.609
bonds (distance) P-C4' energy: -119.766
flat angles C4'-P-C4' energy: -121.555
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -139.711
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: 46
Temperature: 1.000000
Total energy: -1779.254646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.254646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.254646 (E_RNA)
where:
Base-Base interactions energy: -1185.361
where: short stacking energy: -501.750
Base-Backbone interact. energy: -1.710
local terms energy: -592.183366
where:
bonds (distance) C4'-P energy: -111.657
bonds (distance) P-C4' energy: -121.383
flat angles C4'-P-C4' energy: -134.013
flat angles P-C4'-P energy: -78.386
tors. eta vs tors. theta energy: -146.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1536.242496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.242496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.242496 (E_RNA)
where:
Base-Base interactions energy: -996.082
where: short stacking energy: -433.511
Base-Backbone interact. energy: -1.705
local terms energy: -538.455583
where:
bonds (distance) C4'-P energy: -113.134
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -126.004
flat angles P-C4'-P energy: -77.986
tors. eta vs tors. theta energy: -111.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1385.781687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.781687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.781687 (E_RNA)
where:
Base-Base interactions energy: -877.390
where: short stacking energy: -406.894
Base-Backbone interact. energy: -2.588
local terms energy: -505.803481
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -115.655
flat angles C4'-P-C4' energy: -122.780
flat angles P-C4'-P energy: -69.582
tors. eta vs tors. theta energy: -92.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1186.752213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.752213 (E_RNA)
where:
Base-Base interactions energy: -694.758
where: short stacking energy: -323.474
Base-Backbone interact. energy: 0.300
local terms energy: -492.294761
where:
bonds (distance) C4'-P energy: -110.364
bonds (distance) P-C4' energy: -122.417
flat angles C4'-P-C4' energy: -115.119
flat angles P-C4'-P energy: -73.650
tors. eta vs tors. theta energy: -70.745
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: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1081.735684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.735684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.735684 (E_RNA)
where:
Base-Base interactions energy: -644.909
where: short stacking energy: -294.197
Base-Backbone interact. energy: -2.970
local terms energy: -433.856012
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -112.917
flat angles C4'-P-C4' energy: -102.522
flat angles P-C4'-P energy: -50.782
tors. eta vs tors. theta energy: -50.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -699.779276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.779276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.779276 (E_RNA)
where:
Base-Base interactions energy: -332.241
where: short stacking energy: -212.690
Base-Backbone interact. energy: 0.506
local terms energy: -368.043686
where:
bonds (distance) C4'-P energy: -97.665
bonds (distance) P-C4' energy: -116.950
flat angles C4'-P-C4' energy: -96.458
flat angles P-C4'-P energy: -65.833
tors. eta vs tors. theta energy: 8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -611.446766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.446766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.446766 (E_RNA)
where:
Base-Base interactions energy: -277.847
where: short stacking energy: -161.322
Base-Backbone interact. energy: 1.664
local terms energy: -335.263410
where:
bonds (distance) C4'-P energy: -84.367
bonds (distance) P-C4' energy: -115.301
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -65.955
tors. eta vs tors. theta energy: 9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -473.321384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.321384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.321384 (E_RNA)
where:
Base-Base interactions energy: -176.561
where: short stacking energy: -132.199
Base-Backbone interact. energy: 5.617
local terms energy: -302.377577
where:
bonds (distance) C4'-P energy: -101.832
bonds (distance) P-C4' energy: -89.589
flat angles C4'-P-C4' energy: -91.355
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: 21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1905.983886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.983886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.983886 (E_RNA)
where:
Base-Base interactions energy: -1271.900
where: short stacking energy: -541.910
Base-Backbone interact. energy: 1.607
local terms energy: -635.691057
where:
bonds (distance) C4'-P energy: -126.619
bonds (distance) P-C4' energy: -136.497
flat angles C4'-P-C4' energy: -127.649
flat angles P-C4'-P energy: -92.044
tors. eta vs tors. theta energy: -152.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1828.587815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.587815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.587815 (E_RNA)
where:
Base-Base interactions energy: -1222.416
where: short stacking energy: -527.818
Base-Backbone interact. energy: 0.104
local terms energy: -606.275227
where:
bonds (distance) C4'-P energy: -109.240
bonds (distance) P-C4' energy: -115.823
flat angles C4'-P-C4' energy: -134.581
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -153.829
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1697.486082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.486082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.486082 (E_RNA)
where:
Base-Base interactions energy: -1108.486
where: short stacking energy: -472.435
Base-Backbone interact. energy: 3.500
local terms energy: -592.500191
where:
bonds (distance) C4'-P energy: -123.411
bonds (distance) P-C4' energy: -117.535
flat angles C4'-P-C4' energy: -126.647
flat angles P-C4'-P energy: -81.523
tors. eta vs tors. theta energy: -143.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1470.812220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.812220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.812220 (E_RNA)
where:
Base-Base interactions energy: -965.438
where: short stacking energy: -451.899
Base-Backbone interact. energy: -0.025
local terms energy: -505.348693
where:
bonds (distance) C4'-P energy: -95.743
bonds (distance) P-C4' energy: -123.149
flat angles C4'-P-C4' energy: -108.482
flat angles P-C4'-P energy: -64.597
tors. eta vs tors. theta energy: -113.378
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: 47
Temperature: 1.100000
Total energy: -1465.040380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.040380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.040380 (E_RNA)
where:
Base-Base interactions energy: -950.810
where: short stacking energy: -412.575
Base-Backbone interact. energy: -2.343
local terms energy: -511.887447
where:
bonds (distance) C4'-P energy: -112.634
bonds (distance) P-C4' energy: -103.487
flat angles C4'-P-C4' energy: -119.468
flat angles P-C4'-P energy: -74.534
tors. eta vs tors. theta energy: -101.765
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: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1163.250135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.250135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.250135 (E_RNA)
where:
Base-Base interactions energy: -676.188
where: short stacking energy: -352.195
Base-Backbone interact. energy: -0.966
local terms energy: -486.095856
where:
bonds (distance) C4'-P energy: -110.022
bonds (distance) P-C4' energy: -102.085
flat angles C4'-P-C4' energy: -108.175
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -87.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1104.295405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.295405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.295405 (E_RNA)
where:
Base-Base interactions energy: -663.472
where: short stacking energy: -304.718
Base-Backbone interact. energy: 0.781
local terms energy: -441.604513
where:
bonds (distance) C4'-P energy: -107.039
bonds (distance) P-C4' energy: -109.078
flat angles C4'-P-C4' energy: -111.270
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -61.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -614.523499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.523499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.523499 (E_RNA)
where:
Base-Base interactions energy: -281.260
where: short stacking energy: -174.026
Base-Backbone interact. energy: 1.981
local terms energy: -335.244237
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -109.584
flat angles C4'-P-C4' energy: -77.041
flat angles P-C4'-P energy: -56.658
tors. eta vs tors. theta energy: 6.485
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: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -605.032977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.032977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.032977 (E_RNA)
where:
Base-Base interactions energy: -268.939
where: short stacking energy: -160.847
Base-Backbone interact. energy: -0.723
local terms energy: -335.371024
where:
bonds (distance) C4'-P energy: -110.562
bonds (distance) P-C4' energy: -98.549
flat angles C4'-P-C4' energy: -78.245
flat angles P-C4'-P energy: -61.321
tors. eta vs tors. theta energy: 13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -453.307593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.307593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.307593 (E_RNA)
where:
Base-Base interactions energy: -148.984
where: short stacking energy: -122.187
Base-Backbone interact. energy: 6.202
local terms energy: -310.525654
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -113.013
flat angles C4'-P-C4' energy: -71.243
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: 10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1916.779229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.779229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.779229 (E_RNA)
where:
Base-Base interactions energy: -1292.577
where: short stacking energy: -520.254
Base-Backbone interact. energy: -2.577
local terms energy: -621.624319
where:
bonds (distance) C4'-P energy: -116.721
bonds (distance) P-C4' energy: -137.542
flat angles C4'-P-C4' energy: -124.677
flat angles P-C4'-P energy: -93.616
tors. eta vs tors. theta energy: -149.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1845.444187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.444187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.444187 (E_RNA)
where:
Base-Base interactions energy: -1231.846
where: short stacking energy: -527.698
Base-Backbone interact. energy: -3.147
local terms energy: -610.451188
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -123.301
flat angles C4'-P-C4' energy: -135.900
flat angles P-C4'-P energy: -94.018
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1697.067628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.067628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.067628 (E_RNA)
where:
Base-Base interactions energy: -1119.562
where: short stacking energy: -475.315
Base-Backbone interact. energy: -3.359
local terms energy: -574.147132
where:
bonds (distance) C4'-P energy: -117.164
bonds (distance) P-C4' energy: -119.476
flat angles C4'-P-C4' energy: -116.859
flat angles P-C4'-P energy: -81.224
tors. eta vs tors. theta energy: -139.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1485.268231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.268231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.268231 (E_RNA)
where:
Base-Base interactions energy: -908.110
where: short stacking energy: -413.280
Base-Backbone interact. energy: -0.906
local terms energy: -576.251940
where:
bonds (distance) C4'-P energy: -121.927
bonds (distance) P-C4' energy: -124.515
flat angles C4'-P-C4' energy: -128.218
flat angles P-C4'-P energy: -85.141
tors. eta vs tors. theta energy: -116.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1519.389740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.389740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.389740 (E_RNA)
where:
Base-Base interactions energy: -1002.519
where: short stacking energy: -438.241
Base-Backbone interact. energy: -1.868
local terms energy: -515.003662
where:
bonds (distance) C4'-P energy: -91.487
bonds (distance) P-C4' energy: -118.184
flat angles C4'-P-C4' energy: -121.536
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -110.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1171.317520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.317520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.317520 (E_RNA)
where:
Base-Base interactions energy: -667.192
where: short stacking energy: -362.148
Base-Backbone interact. energy: 2.164
local terms energy: -506.288733
where:
bonds (distance) C4'-P energy: -98.218
bonds (distance) P-C4' energy: -120.667
flat angles C4'-P-C4' energy: -104.436
flat angles P-C4'-P energy: -87.173
tors. eta vs tors. theta energy: -95.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1083.818923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.818923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.818923 (E_RNA)
where:
Base-Base interactions energy: -691.764
where: short stacking energy: -314.964
Base-Backbone interact. energy: 3.874
local terms energy: -395.928919
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -98.363
flat angles C4'-P-C4' energy: -82.981
flat angles P-C4'-P energy: -54.637
tors. eta vs tors. theta energy: -49.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -675.840184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.840184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.840184 (E_RNA)
where:
Base-Base interactions energy: -333.184
where: short stacking energy: -214.818
Base-Backbone interact. energy: 6.409
local terms energy: -349.065663
where:
bonds (distance) C4'-P energy: -111.491
bonds (distance) P-C4' energy: -110.509
flat angles C4'-P-C4' energy: -88.551
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: 10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -645.250495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.250495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.250495 (E_RNA)
where:
Base-Base interactions energy: -291.506
where: short stacking energy: -209.225
Base-Backbone interact. energy: -0.345
local terms energy: -353.399018
where:
bonds (distance) C4'-P energy: -91.876
bonds (distance) P-C4' energy: -108.162
flat angles C4'-P-C4' energy: -82.461
flat angles P-C4'-P energy: -75.751
tors. eta vs tors. theta energy: 4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -470.488386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.488386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.488386 (E_RNA)
where:
Base-Base interactions energy: -156.254
where: short stacking energy: -126.510
Base-Backbone interact. energy: -2.738
local terms energy: -311.495896
where:
bonds (distance) C4'-P energy: -102.170
bonds (distance) P-C4' energy: -112.584
flat angles C4'-P-C4' energy: -63.323
flat angles P-C4'-P energy: -45.100
tors. eta vs tors. theta energy: 11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1924.054050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.054050 (E_RNA)
where:
Base-Base interactions energy: -1304.433
where: short stacking energy: -533.314
Base-Backbone interact. energy: -1.162
local terms energy: -618.458978
where:
bonds (distance) C4'-P energy: -123.119
bonds (distance) P-C4' energy: -123.896
flat angles C4'-P-C4' energy: -133.974
flat angles P-C4'-P energy: -79.800
tors. eta vs tors. theta energy: -157.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1852.764462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.764462 (E_RNA)
where:
Base-Base interactions energy: -1208.746
where: short stacking energy: -524.203
Base-Backbone interact. energy: -3.055
local terms energy: -640.963778
where:
bonds (distance) C4'-P energy: -122.729
bonds (distance) P-C4' energy: -126.008
flat angles C4'-P-C4' energy: -132.437
flat angles P-C4'-P energy: -100.076
tors. eta vs tors. theta energy: -159.714
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: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1650.554771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.554771 (E_RNA)
where:
Base-Base interactions energy: -1101.139
where: short stacking energy: -472.550
Base-Backbone interact. energy: -2.016
local terms energy: -547.400192
where:
bonds (distance) C4'-P energy: -107.353
bonds (distance) P-C4' energy: -108.294
flat angles C4'-P-C4' energy: -123.077
flat angles P-C4'-P energy: -84.078
tors. eta vs tors. theta energy: -124.599
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: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1582.774436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.774436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.774436 (E_RNA)
where:
Base-Base interactions energy: -1008.136
where: short stacking energy: -435.677
Base-Backbone interact. energy: -1.400
local terms energy: -573.238306
where:
bonds (distance) C4'-P energy: -116.825
bonds (distance) P-C4' energy: -133.222
flat angles C4'-P-C4' energy: -121.017
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -131.267
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1427.460153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.460153 (E_RNA)
where:
Base-Base interactions energy: -896.094
where: short stacking energy: -397.538
Base-Backbone interact. energy: -1.572
local terms energy: -529.793890
where:
bonds (distance) C4'-P energy: -108.155
bonds (distance) P-C4' energy: -120.724
flat angles C4'-P-C4' energy: -118.150
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -113.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1215.444055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.444055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.444055 (E_RNA)
where:
Base-Base interactions energy: -707.317
where: short stacking energy: -358.145
Base-Backbone interact. energy: -1.318
local terms energy: -506.808215
where:
bonds (distance) C4'-P energy: -95.063
bonds (distance) P-C4' energy: -118.785
flat angles C4'-P-C4' energy: -126.866
flat angles P-C4'-P energy: -67.255
tors. eta vs tors. theta energy: -98.839
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: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1075.713842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.713842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.713842 (E_RNA)
where:
Base-Base interactions energy: -646.823
where: short stacking energy: -289.854
Base-Backbone interact. energy: -2.315
local terms energy: -426.576095
where:
bonds (distance) C4'-P energy: -107.179
bonds (distance) P-C4' energy: -104.167
flat angles C4'-P-C4' energy: -100.272
flat angles P-C4'-P energy: -64.510
tors. eta vs tors. theta energy: -50.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -675.302849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.302849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.302849 (E_RNA)
where:
Base-Base interactions energy: -308.788
where: short stacking energy: -206.130
Base-Backbone interact. energy: -2.216
local terms energy: -364.298904
where:
bonds (distance) C4'-P energy: -111.150
bonds (distance) P-C4' energy: -99.007
flat angles C4'-P-C4' energy: -98.524
flat angles P-C4'-P energy: -52.421
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -658.850508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.850508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.850508 (E_RNA)
where:
Base-Base interactions energy: -320.942
where: short stacking energy: -174.989
Base-Backbone interact. energy: 0.206
local terms energy: -338.114745
where:
bonds (distance) C4'-P energy: -109.869
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -89.386
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: 6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -479.476670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.476670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.476670 (E_RNA)
where:
Base-Base interactions energy: -193.321
where: short stacking energy: -109.379
Base-Backbone interact. energy: -5.367
local terms energy: -280.789178
where:
bonds (distance) C4'-P energy: -89.243
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: 23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1916.737909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.737909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.737909 (E_RNA)
where:
Base-Base interactions energy: -1311.760
where: short stacking energy: -561.401
Base-Backbone interact. energy: -3.729
local terms energy: -601.249334
where:
bonds (distance) C4'-P energy: -119.716
bonds (distance) P-C4' energy: -120.984
flat angles C4'-P-C4' energy: -136.907
flat angles P-C4'-P energy: -63.009
tors. eta vs tors. theta energy: -160.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1870.852286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.852286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.852286 (E_RNA)
where:
Base-Base interactions energy: -1251.277
where: short stacking energy: -547.985
Base-Backbone interact. energy: -1.372
local terms energy: -618.202614
where:
bonds (distance) C4'-P energy: -113.676
bonds (distance) P-C4' energy: -106.810
flat angles C4'-P-C4' energy: -139.760
flat angles P-C4'-P energy: -94.478
tors. eta vs tors. theta energy: -163.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1686.839080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.839080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.839080 (E_RNA)
where:
Base-Base interactions energy: -1111.892
where: short stacking energy: -483.196
Base-Backbone interact. energy: -3.274
local terms energy: -571.672585
where:
bonds (distance) C4'-P energy: -113.992
bonds (distance) P-C4' energy: -117.300
flat angles C4'-P-C4' energy: -126.631
flat angles P-C4'-P energy: -73.659
tors. eta vs tors. theta energy: -140.092
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: 50
Temperature: 1.050000
Total energy: -1581.258234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.258234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.258234 (E_RNA)
where:
Base-Base interactions energy: -1042.240
where: short stacking energy: -446.765
Base-Backbone interact. energy: -2.124
local terms energy: -536.894615
where:
bonds (distance) C4'-P energy: -113.482
bonds (distance) P-C4' energy: -112.989
flat angles C4'-P-C4' energy: -124.149
flat angles P-C4'-P energy: -65.238
tors. eta vs tors. theta energy: -121.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1413.622862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.622862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.622862 (E_RNA)
where:
Base-Base interactions energy: -883.977
where: short stacking energy: -415.528
Base-Backbone interact. energy: -3.573
local terms energy: -526.072944
where:
bonds (distance) C4'-P energy: -109.920
bonds (distance) P-C4' energy: -115.748
flat angles C4'-P-C4' energy: -115.713
flat angles P-C4'-P energy: -80.657
tors. eta vs tors. theta energy: -104.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1020.034800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.034800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.034800 (E_RNA)
where:
Base-Base interactions energy: -583.348
where: short stacking energy: -308.316
Base-Backbone interact. energy: -3.466
local terms energy: -433.221544
where:
bonds (distance) C4'-P energy: -110.758
bonds (distance) P-C4' energy: -91.535
flat angles C4'-P-C4' energy: -104.638
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -61.922
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1105.770031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.770031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.770031 (E_RNA)
where:
Base-Base interactions energy: -677.083
where: short stacking energy: -318.350
Base-Backbone interact. energy: -3.115
local terms energy: -425.572597
where:
bonds (distance) C4'-P energy: -96.486
bonds (distance) P-C4' energy: -114.020
flat angles C4'-P-C4' energy: -106.984
flat angles P-C4'-P energy: -52.354
tors. eta vs tors. theta energy: -55.729
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: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -698.298094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.298094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.298094 (E_RNA)
where:
Base-Base interactions energy: -347.479
where: short stacking energy: -187.506
Base-Backbone interact. energy: -1.301
local terms energy: -349.517380
where:
bonds (distance) C4'-P energy: -100.627
bonds (distance) P-C4' energy: -100.558
flat angles C4'-P-C4' energy: -87.938
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -625.895649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.895649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.895649 (E_RNA)
where:
Base-Base interactions energy: -276.919
where: short stacking energy: -157.479
Base-Backbone interact. energy: -0.578
local terms energy: -348.399306
where:
bonds (distance) C4'-P energy: -102.638
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -99.741
flat angles P-C4'-P energy: -47.742
tors. eta vs tors. theta energy: 16.131
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: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -489.332720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.332720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.332720 (E_RNA)
where:
Base-Base interactions energy: -182.071
where: short stacking energy: -144.192
Base-Backbone interact. energy: -2.096
local terms energy: -305.166130
where:
bonds (distance) C4'-P energy: -89.495
bonds (distance) P-C4' energy: -118.011
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: 17.484
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: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1952.274480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.274480 (E_RNA)
where:
Base-Base interactions energy: -1342.863
where: short stacking energy: -555.169
Base-Backbone interact. energy: -4.381
local terms energy: -605.031002
where:
bonds (distance) C4'-P energy: -114.067
bonds (distance) P-C4' energy: -117.253
flat angles C4'-P-C4' energy: -135.091
flat angles P-C4'-P energy: -80.792
tors. eta vs tors. theta energy: -157.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1848.279918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.279918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.279918 (E_RNA)
where:
Base-Base interactions energy: -1230.569
where: short stacking energy: -530.790
Base-Backbone interact. energy: -2.167
local terms energy: -615.544492
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -125.944
flat angles C4'-P-C4' energy: -134.076
flat angles P-C4'-P energy: -95.504
tors. eta vs tors. theta energy: -146.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1671.787837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.787837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.787837 (E_RNA)
where:
Base-Base interactions energy: -1094.279
where: short stacking energy: -480.980
Base-Backbone interact. energy: -4.083
local terms energy: -573.425644
where:
bonds (distance) C4'-P energy: -121.257
bonds (distance) P-C4' energy: -121.580
flat angles C4'-P-C4' energy: -123.530
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -134.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1558.585452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.585452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.585452 (E_RNA)
where:
Base-Base interactions energy: -1004.587
where: short stacking energy: -467.158
Base-Backbone interact. energy: -1.413
local terms energy: -552.585532
where:
bonds (distance) C4'-P energy: -109.829
bonds (distance) P-C4' energy: -120.814
flat angles C4'-P-C4' energy: -120.956
flat angles P-C4'-P energy: -74.293
tors. eta vs tors. theta energy: -126.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1359.300667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.300667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.300667 (E_RNA)
where:
Base-Base interactions energy: -870.200
where: short stacking energy: -376.901
Base-Backbone interact. energy: -2.171
local terms energy: -486.929073
where:
bonds (distance) C4'-P energy: -100.866
bonds (distance) P-C4' energy: -106.934
flat angles C4'-P-C4' energy: -115.525
flat angles P-C4'-P energy: -77.930
tors. eta vs tors. theta energy: -85.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1108.381915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.381915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.381915 (E_RNA)
where:
Base-Base interactions energy: -674.653
where: short stacking energy: -303.236
Base-Backbone interact. energy: -0.704
local terms energy: -433.024540
where:
bonds (distance) C4'-P energy: -107.476
bonds (distance) P-C4' energy: -102.727
flat angles C4'-P-C4' energy: -94.900
flat angles P-C4'-P energy: -60.015
tors. eta vs tors. theta energy: -67.907
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1013.338978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.338978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.338978 (E_RNA)
where:
Base-Base interactions energy: -578.857
where: short stacking energy: -296.954
Base-Backbone interact. energy: -2.423
local terms energy: -432.059512
where:
bonds (distance) C4'-P energy: -98.475
bonds (distance) P-C4' energy: -103.848
flat angles C4'-P-C4' energy: -111.455
flat angles P-C4'-P energy: -69.868
tors. eta vs tors. theta energy: -48.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -691.284344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.284344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.284344 (E_RNA)
where:
Base-Base interactions energy: -338.904
where: short stacking energy: -186.978
Base-Backbone interact. energy: 6.090
local terms energy: -358.471027
where:
bonds (distance) C4'-P energy: -101.000
bonds (distance) P-C4' energy: -105.527
flat angles C4'-P-C4' energy: -90.008
flat angles P-C4'-P energy: -68.817
tors. eta vs tors. theta energy: 6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -620.744093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.744093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.744093 (E_RNA)
where:
Base-Base interactions energy: -282.777
where: short stacking energy: -150.426
Base-Backbone interact. energy: 4.840
local terms energy: -342.807133
where:
bonds (distance) C4'-P energy: -117.408
bonds (distance) P-C4' energy: -99.549
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: 11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -497.001030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.001030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.001030 (E_RNA)
where:
Base-Base interactions energy: -185.671
where: short stacking energy: -157.211
Base-Backbone interact. energy: 1.122
local terms energy: -312.452680
where:
bonds (distance) C4'-P energy: -103.549
bonds (distance) P-C4' energy: -93.662
flat angles C4'-P-C4' energy: -81.377
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: 22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1921.679597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.679597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.679597 (E_RNA)
where:
Base-Base interactions energy: -1295.648
where: short stacking energy: -560.723
Base-Backbone interact. energy: -3.242
local terms energy: -622.789624
where:
bonds (distance) C4'-P energy: -122.529
bonds (distance) P-C4' energy: -125.797
flat angles C4'-P-C4' energy: -128.183
flat angles P-C4'-P energy: -90.081
tors. eta vs tors. theta energy: -156.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1844.000617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.000617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.000617 (E_RNA)
where:
Base-Base interactions energy: -1239.087
where: short stacking energy: -544.116
Base-Backbone interact. energy: -1.669
local terms energy: -603.244522
where:
bonds (distance) C4'-P energy: -116.524
bonds (distance) P-C4' energy: -123.223
flat angles C4'-P-C4' energy: -129.035
flat angles P-C4'-P energy: -87.465
tors. eta vs tors. theta energy: -146.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1675.285064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.285064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.285064 (E_RNA)
where:
Base-Base interactions energy: -1101.328
where: short stacking energy: -465.273
Base-Backbone interact. energy: -4.136
local terms energy: -569.820409
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -121.202
flat angles P-C4'-P energy: -84.834
tors. eta vs tors. theta energy: -119.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1576.462998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.462998 (E_RNA)
where:
Base-Base interactions energy: -1024.439
where: short stacking energy: -465.510
Base-Backbone interact. energy: -2.010
local terms energy: -550.014020
where:
bonds (distance) C4'-P energy: -99.403
bonds (distance) P-C4' energy: -113.006
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -135.222
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: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1344.150666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.150666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.150666 (E_RNA)
where:
Base-Base interactions energy: -840.451
where: short stacking energy: -389.033
Base-Backbone interact. energy: -4.960
local terms energy: -498.738722
where:
bonds (distance) C4'-P energy: -107.152
bonds (distance) P-C4' energy: -100.167
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -75.444
tors. eta vs tors. theta energy: -97.258
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: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1124.318293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.318293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.318293 (E_RNA)
where:
Base-Base interactions energy: -654.393
where: short stacking energy: -312.912
Base-Backbone interact. energy: -3.185
local terms energy: -466.739946
where:
bonds (distance) C4'-P energy: -116.455
bonds (distance) P-C4' energy: -115.143
flat angles C4'-P-C4' energy: -101.353
flat angles P-C4'-P energy: -69.320
tors. eta vs tors. theta energy: -64.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -903.533170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.533170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.533170 (E_RNA)
where:
Base-Base interactions energy: -507.403
where: short stacking energy: -236.516
Base-Backbone interact. energy: -2.511
local terms energy: -393.618694
where:
bonds (distance) C4'-P energy: -93.268
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -95.335
flat angles P-C4'-P energy: -47.856
tors. eta vs tors. theta energy: -33.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -680.908586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.908586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.908586 (E_RNA)
where:
Base-Base interactions energy: -328.556
where: short stacking energy: -207.393
Base-Backbone interact. energy: -2.067
local terms energy: -350.285464
where:
bonds (distance) C4'-P energy: -96.012
bonds (distance) P-C4' energy: -100.373
flat angles C4'-P-C4' energy: -108.070
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -2.373
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -654.770875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.770875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.770875 (E_RNA)
where:
Base-Base interactions energy: -297.868
where: short stacking energy: -177.672
Base-Backbone interact. energy: 0.250
local terms energy: -357.152727
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -97.275
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -64.053
tors. eta vs tors. theta energy: 4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -513.928388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.928388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.928388 (E_RNA)
where:
Base-Base interactions energy: -211.708
where: short stacking energy: -137.774
Base-Backbone interact. energy: 2.182
local terms energy: -304.402547
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -100.587
flat angles C4'-P-C4' energy: -90.658
flat angles P-C4'-P energy: -47.054
tors. eta vs tors. theta energy: 25.687
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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1953.641079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.641079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.641079 (E_RNA)
where:
Base-Base interactions energy: -1314.134
where: short stacking energy: -542.628
Base-Backbone interact. energy: -4.438
local terms energy: -635.069436
where:
bonds (distance) C4'-P energy: -122.563
bonds (distance) P-C4' energy: -114.852
flat angles C4'-P-C4' energy: -138.517
flat angles P-C4'-P energy: -96.757
tors. eta vs tors. theta energy: -162.380
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: 53
Temperature: 0.950000
Total energy: -1831.580337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.580337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.580337 (E_RNA)
where:
Base-Base interactions energy: -1194.002
where: short stacking energy: -539.904
Base-Backbone interact. energy: 1.475
local terms energy: -639.053496
where:
bonds (distance) C4'-P energy: -124.836
bonds (distance) P-C4' energy: -119.241
flat angles C4'-P-C4' energy: -139.802
flat angles P-C4'-P energy: -96.620
tors. eta vs tors. theta energy: -158.555
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1660.733455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.733455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.733455 (E_RNA)
where:
Base-Base interactions energy: -1095.672
where: short stacking energy: -475.608
Base-Backbone interact. energy: -1.638
local terms energy: -563.423907
where:
bonds (distance) C4'-P energy: -101.209
bonds (distance) P-C4' energy: -115.443
flat angles C4'-P-C4' energy: -132.265
flat angles P-C4'-P energy: -74.851
tors. eta vs tors. theta energy: -139.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1581.558616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.558616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.558616 (E_RNA)
where:
Base-Base interactions energy: -1003.655
where: short stacking energy: -466.088
Base-Backbone interact. energy: -0.723
local terms energy: -577.180701
where:
bonds (distance) C4'-P energy: -116.344
bonds (distance) P-C4' energy: -121.849
flat angles C4'-P-C4' energy: -134.470
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -123.988
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: 53
Temperature: 1.100000
Total energy: -1333.586415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.586415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.586415 (E_RNA)
where:
Base-Base interactions energy: -804.390
where: short stacking energy: -396.897
Base-Backbone interact. energy: -4.080
local terms energy: -525.117130
where:
bonds (distance) C4'-P energy: -110.736
bonds (distance) P-C4' energy: -121.762
flat angles C4'-P-C4' energy: -112.210
flat angles P-C4'-P energy: -74.572
tors. eta vs tors. theta energy: -105.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1189.855598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.855598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.855598 (E_RNA)
where:
Base-Base interactions energy: -747.954
where: short stacking energy: -341.429
Base-Backbone interact. energy: -0.705
local terms energy: -441.196391
where:
bonds (distance) C4'-P energy: -101.133
bonds (distance) P-C4' energy: -116.105
flat angles C4'-P-C4' energy: -98.420
flat angles P-C4'-P energy: -63.619
tors. eta vs tors. theta energy: -61.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1017.010970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.010970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.010970 (E_RNA)
where:
Base-Base interactions energy: -603.693
where: short stacking energy: -270.177
Base-Backbone interact. energy: -1.429
local terms energy: -411.888609
where:
bonds (distance) C4'-P energy: -102.211
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -108.135
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -725.959594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.959594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.959594 (E_RNA)
where:
Base-Base interactions energy: -356.384
where: short stacking energy: -193.136
Base-Backbone interact. energy: 1.177
local terms energy: -370.752269
where:
bonds (distance) C4'-P energy: -109.793
bonds (distance) P-C4' energy: -102.328
flat angles C4'-P-C4' energy: -97.213
flat angles P-C4'-P energy: -49.649
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -606.362074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.362074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.362074 (E_RNA)
where:
Base-Base interactions energy: -271.123
where: short stacking energy: -176.437
Base-Backbone interact. energy: -2.979
local terms energy: -332.259871
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -89.820
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -1.507
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: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -554.758084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.758084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.758084 (E_RNA)
where:
Base-Base interactions energy: -228.548
where: short stacking energy: -162.971
Base-Backbone interact. energy: 3.173
local terms energy: -329.382865
where:
bonds (distance) C4'-P energy: -86.359
bonds (distance) P-C4' energy: -97.606
flat angles C4'-P-C4' energy: -97.883
flat angles P-C4'-P energy: -53.047
tors. eta vs tors. theta energy: 5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1981.961300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.961300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.961300 (E_RNA)
where:
Base-Base interactions energy: -1348.005
where: short stacking energy: -555.714
Base-Backbone interact. energy: -3.309
local terms energy: -630.647275
where:
bonds (distance) C4'-P energy: -120.425
bonds (distance) P-C4' energy: -123.560
flat angles C4'-P-C4' energy: -130.408
flat angles P-C4'-P energy: -86.386
tors. eta vs tors. theta energy: -169.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1830.493045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.493045 (E_RNA)
where:
Base-Base interactions energy: -1223.276
where: short stacking energy: -554.280
Base-Backbone interact. energy: 0.567
local terms energy: -607.783401
where:
bonds (distance) C4'-P energy: -121.072
bonds (distance) P-C4' energy: -114.499
flat angles C4'-P-C4' energy: -135.404
flat angles P-C4'-P energy: -83.820
tors. eta vs tors. theta energy: -152.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1639.144316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.144316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.144316 (E_RNA)
where:
Base-Base interactions energy: -1038.409
where: short stacking energy: -483.010
Base-Backbone interact. energy: 0.040
local terms energy: -600.775624
where:
bonds (distance) C4'-P energy: -121.189
bonds (distance) P-C4' energy: -124.311
flat angles C4'-P-C4' energy: -119.545
flat angles P-C4'-P energy: -94.694
tors. eta vs tors. theta energy: -141.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1539.619869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.619869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.619869 (E_RNA)
where:
Base-Base interactions energy: -1015.571
where: short stacking energy: -429.628
Base-Backbone interact. energy: 0.657
local terms energy: -524.705392
where:
bonds (distance) C4'-P energy: -102.998
bonds (distance) P-C4' energy: -118.377
flat angles C4'-P-C4' energy: -121.338
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -111.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1312.388997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.388997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.388997 (E_RNA)
where:
Base-Base interactions energy: -841.570
where: short stacking energy: -380.470
Base-Backbone interact. energy: -2.512
local terms energy: -468.306632
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -113.606
flat angles C4'-P-C4' energy: -117.075
flat angles P-C4'-P energy: -65.054
tors. eta vs tors. theta energy: -82.497
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: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1292.870537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.870537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.870537 (E_RNA)
where:
Base-Base interactions energy: -799.112
where: short stacking energy: -361.168
Base-Backbone interact. energy: -0.079
local terms energy: -493.679797
where:
bonds (distance) C4'-P energy: -110.049
bonds (distance) P-C4' energy: -124.281
flat angles C4'-P-C4' energy: -106.192
flat angles P-C4'-P energy: -74.927
tors. eta vs tors. theta energy: -78.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1020.609164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.609164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.609164 (E_RNA)
where:
Base-Base interactions energy: -614.755
where: short stacking energy: -282.243
Base-Backbone interact. energy: -3.826
local terms energy: -402.028311
where:
bonds (distance) C4'-P energy: -106.087
bonds (distance) P-C4' energy: -89.553
flat angles C4'-P-C4' energy: -106.100
flat angles P-C4'-P energy: -55.696
tors. eta vs tors. theta energy: -44.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -702.386350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.386350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.386350 (E_RNA)
where:
Base-Base interactions energy: -339.136
where: short stacking energy: -208.282
Base-Backbone interact. energy: 0.574
local terms energy: -363.824519
where:
bonds (distance) C4'-P energy: -113.178
bonds (distance) P-C4' energy: -97.429
flat angles C4'-P-C4' energy: -78.587
flat angles P-C4'-P energy: -61.590
tors. eta vs tors. theta energy: -13.041
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: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -498.073676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.073676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.073676 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -126.643
Base-Backbone interact. energy: 3.472
local terms energy: -345.719957
where:
bonds (distance) C4'-P energy: -101.670
bonds (distance) P-C4' energy: -118.426
flat angles C4'-P-C4' energy: -105.004
flat angles P-C4'-P energy: -40.172
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -562.186173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.186173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.186173 (E_RNA)
where:
Base-Base interactions energy: -227.570
where: short stacking energy: -135.505
Base-Backbone interact. energy: -2.722
local terms energy: -331.894070
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -114.573
flat angles C4'-P-C4' energy: -93.511
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: 16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1936.107638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.107638 (E_RNA)
where:
Base-Base interactions energy: -1290.688
where: short stacking energy: -568.626
Base-Backbone interact. energy: -3.436
local terms energy: -641.984375
where:
bonds (distance) C4'-P energy: -114.882
bonds (distance) P-C4' energy: -121.636
flat angles C4'-P-C4' energy: -141.422
flat angles P-C4'-P energy: -95.049
tors. eta vs tors. theta energy: -168.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1859.301607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.301607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.301607 (E_RNA)
where:
Base-Base interactions energy: -1246.509
where: short stacking energy: -547.347
Base-Backbone interact. energy: -1.513
local terms energy: -611.279974
where:
bonds (distance) C4'-P energy: -116.220
bonds (distance) P-C4' energy: -120.360
flat angles C4'-P-C4' energy: -130.529
flat angles P-C4'-P energy: -81.301
tors. eta vs tors. theta energy: -162.870
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: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1650.553775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.553775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.553775 (E_RNA)
where:
Base-Base interactions energy: -1053.337
where: short stacking energy: -500.471
Base-Backbone interact. energy: -0.270
local terms energy: -596.946885
where:
bonds (distance) C4'-P energy: -120.968
bonds (distance) P-C4' energy: -121.987
flat angles C4'-P-C4' energy: -125.216
flat angles P-C4'-P energy: -93.589
tors. eta vs tors. theta energy: -135.187
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1577.590616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.590616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.590616 (E_RNA)
where:
Base-Base interactions energy: -1041.484
where: short stacking energy: -449.716
Base-Backbone interact. energy: -3.539
local terms energy: -532.566940
where:
bonds (distance) C4'-P energy: -112.205
bonds (distance) P-C4' energy: -99.465
flat angles C4'-P-C4' energy: -109.779
flat angles P-C4'-P energy: -97.538
tors. eta vs tors. theta energy: -113.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1335.110660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.110660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.110660 (E_RNA)
where:
Base-Base interactions energy: -810.434
where: short stacking energy: -387.627
Base-Backbone interact. energy: -1.923
local terms energy: -522.754147
where:
bonds (distance) C4'-P energy: -100.142
bonds (distance) P-C4' energy: -123.752
flat angles C4'-P-C4' energy: -123.824
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -98.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1279.182930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.182930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.182930 (E_RNA)
where:
Base-Base interactions energy: -823.767
where: short stacking energy: -368.255
Base-Backbone interact. energy: -1.008
local terms energy: -454.408245
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -87.450
flat angles C4'-P-C4' energy: -108.874
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -82.260
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: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1076.476821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.476821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.476821 (E_RNA)
where:
Base-Base interactions energy: -647.614
where: short stacking energy: -316.290
Base-Backbone interact. energy: 8.144
local terms energy: -437.007225
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -115.646
flat angles C4'-P-C4' energy: -108.991
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: -58.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -791.748323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.748323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.748323 (E_RNA)
where:
Base-Base interactions energy: -402.082
where: short stacking energy: -208.271
Base-Backbone interact. energy: -1.751
local terms energy: -387.915826
where:
bonds (distance) C4'-P energy: -104.187
bonds (distance) P-C4' energy: -115.100
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -59.345
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -598.745829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.745829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.745829 (E_RNA)
where:
Base-Base interactions energy: -252.712
where: short stacking energy: -189.425
Base-Backbone interact. energy: -1.691
local terms energy: -344.342110
where:
bonds (distance) C4'-P energy: -101.511
bonds (distance) P-C4' energy: -92.811
flat angles C4'-P-C4' energy: -101.482
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -513.816206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.816206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.816206 (E_RNA)
where:
Base-Base interactions energy: -222.093
where: short stacking energy: -126.950
Base-Backbone interact. energy: -0.515
local terms energy: -291.208465
where:
bonds (distance) C4'-P energy: -83.111
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -83.672
flat angles P-C4'-P energy: -57.801
tors. eta vs tors. theta energy: 36.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1969.436090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.436090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.436090 (E_RNA)
where:
Base-Base interactions energy: -1309.516
where: short stacking energy: -557.414
Base-Backbone interact. energy: -2.123
local terms energy: -657.797148
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -130.351
flat angles C4'-P-C4' energy: -146.177
flat angles P-C4'-P energy: -92.586
tors. eta vs tors. theta energy: -166.370
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1866.388862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.388862 (E_RNA)
where:
Base-Base interactions energy: -1232.183
where: short stacking energy: -570.610
Base-Backbone interact. energy: 0.915
local terms energy: -635.120104
where:
bonds (distance) C4'-P energy: -103.589
bonds (distance) P-C4' energy: -125.871
flat angles C4'-P-C4' energy: -142.608
flat angles P-C4'-P energy: -89.779
tors. eta vs tors. theta energy: -173.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1644.055481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.055481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.055481 (E_RNA)
where:
Base-Base interactions energy: -1046.105
where: short stacking energy: -511.045
Base-Backbone interact. energy: -1.504
local terms energy: -596.446451
where:
bonds (distance) C4'-P energy: -112.400
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -134.102
flat angles P-C4'-P energy: -90.929
tors. eta vs tors. theta energy: -142.708
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: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1518.814316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.814316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.814316 (E_RNA)
where:
Base-Base interactions energy: -973.990
where: short stacking energy: -450.748
Base-Backbone interact. energy: 2.343
local terms energy: -547.167873
where:
bonds (distance) C4'-P energy: -99.392
bonds (distance) P-C4' energy: -106.236
flat angles C4'-P-C4' energy: -122.336
flat angles P-C4'-P energy: -86.793
tors. eta vs tors. theta energy: -132.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1298.344648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.344648 (E_RNA)
where:
Base-Base interactions energy: -813.327
where: short stacking energy: -373.389
Base-Backbone interact. energy: -0.932
local terms energy: -484.085667
where:
bonds (distance) C4'-P energy: -108.221
bonds (distance) P-C4' energy: -107.682
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -76.716
tors. eta vs tors. theta energy: -78.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1236.630902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.630902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.630902 (E_RNA)
where:
Base-Base interactions energy: -770.957
where: short stacking energy: -349.700
Base-Backbone interact. energy: -1.204
local terms energy: -464.470293
where:
bonds (distance) C4'-P energy: -76.614
bonds (distance) P-C4' energy: -115.338
flat angles C4'-P-C4' energy: -113.202
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -83.618
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: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1149.309085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.309085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.309085 (E_RNA)
where:
Base-Base interactions energy: -686.106
where: short stacking energy: -317.130
Base-Backbone interact. energy: 5.290
local terms energy: -468.492891
where:
bonds (distance) C4'-P energy: -109.116
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -73.854
tors. eta vs tors. theta energy: -56.985
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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -854.116985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.116985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.116985 (E_RNA)
where:
Base-Base interactions energy: -479.741
where: short stacking energy: -211.112
Base-Backbone interact. energy: 0.541
local terms energy: -374.917027
where:
bonds (distance) C4'-P energy: -103.521
bonds (distance) P-C4' energy: -91.744
flat angles C4'-P-C4' energy: -102.626
flat angles P-C4'-P energy: -63.386
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -557.447058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.447058 (E_RNA)
where:
Base-Base interactions energy: -216.930
where: short stacking energy: -126.101
Base-Backbone interact. energy: -3.156
local terms energy: -337.361105
where:
bonds (distance) C4'-P energy: -108.645
bonds (distance) P-C4' energy: -115.008
flat angles C4'-P-C4' energy: -89.477
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: 32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -564.432332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.432332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.432332 (E_RNA)
where:
Base-Base interactions energy: -245.626
where: short stacking energy: -158.797
Base-Backbone interact. energy: -2.029
local terms energy: -316.777026
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -83.453
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: 17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1980.570711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.570711 (E_RNA)
where:
Base-Base interactions energy: -1324.113
where: short stacking energy: -571.904
Base-Backbone interact. energy: 1.997
local terms energy: -658.454459
where:
bonds (distance) C4'-P energy: -126.998
bonds (distance) P-C4' energy: -126.714
flat angles C4'-P-C4' energy: -136.210
flat angles P-C4'-P energy: -103.840
tors. eta vs tors. theta energy: -164.693
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: 57
Temperature: 0.950000
Total energy: -1919.589026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.589026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.589026 (E_RNA)
where:
Base-Base interactions energy: -1278.637
where: short stacking energy: -563.483
Base-Backbone interact. energy: -2.767
local terms energy: -638.185604
where:
bonds (distance) C4'-P energy: -134.330
bonds (distance) P-C4' energy: -118.807
flat angles C4'-P-C4' energy: -139.439
flat angles P-C4'-P energy: -82.189
tors. eta vs tors. theta energy: -163.422
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: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1638.283314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.283314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.283314 (E_RNA)
where:
Base-Base interactions energy: -1044.670
where: short stacking energy: -490.008
Base-Backbone interact. energy: -0.557
local terms energy: -593.056628
where:
bonds (distance) C4'-P energy: -123.755
bonds (distance) P-C4' energy: -109.327
flat angles C4'-P-C4' energy: -142.451
flat angles P-C4'-P energy: -78.691
tors. eta vs tors. theta energy: -138.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1491.935799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.935799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.935799 (E_RNA)
where:
Base-Base interactions energy: -958.372
where: short stacking energy: -441.587
Base-Backbone interact. energy: -1.469
local terms energy: -532.094900
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -122.451
flat angles C4'-P-C4' energy: -120.696
flat angles P-C4'-P energy: -72.346
tors. eta vs tors. theta energy: -114.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1242.563065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.563065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.563065 (E_RNA)
where:
Base-Base interactions energy: -747.236
where: short stacking energy: -340.544
Base-Backbone interact. energy: -2.028
local terms energy: -493.299352
where:
bonds (distance) C4'-P energy: -109.729
bonds (distance) P-C4' energy: -104.919
flat angles C4'-P-C4' energy: -116.583
flat angles P-C4'-P energy: -74.712
tors. eta vs tors. theta energy: -87.357
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1227.199745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.199745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.199745 (E_RNA)
where:
Base-Base interactions energy: -737.195
where: short stacking energy: -359.835
Base-Backbone interact. energy: -2.998
local terms energy: -487.006236
where:
bonds (distance) C4'-P energy: -112.964
bonds (distance) P-C4' energy: -106.950
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -90.947
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1178.934136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.934136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.934136 (E_RNA)
where:
Base-Base interactions energy: -730.895
where: short stacking energy: -325.105
Base-Backbone interact. energy: -1.072
local terms energy: -446.966942
where:
bonds (distance) C4'-P energy: -101.337
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -91.686
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -80.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -854.449417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.449417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.449417 (E_RNA)
where:
Base-Base interactions energy: -484.751
where: short stacking energy: -232.498
Base-Backbone interact. energy: -4.164
local terms energy: -365.535299
where:
bonds (distance) C4'-P energy: -112.466
bonds (distance) P-C4' energy: -97.836
flat angles C4'-P-C4' energy: -103.890
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -588.931754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.931754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.931754 (E_RNA)
where:
Base-Base interactions energy: -237.089
where: short stacking energy: -141.864
Base-Backbone interact. energy: -0.827
local terms energy: -351.016279
where:
bonds (distance) C4'-P energy: -117.555
bonds (distance) P-C4' energy: -102.976
flat angles C4'-P-C4' energy: -87.959
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: 17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -578.241336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.241336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.241336 (E_RNA)
where:
Base-Base interactions energy: -277.853
where: short stacking energy: -176.828
Base-Backbone interact. energy: -3.317
local terms energy: -297.070934
where:
bonds (distance) C4'-P energy: -83.503
bonds (distance) P-C4' energy: -96.068
flat angles C4'-P-C4' energy: -88.342
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: 13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1974.213960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.213960 (E_RNA)
where:
Base-Base interactions energy: -1345.943
where: short stacking energy: -544.464
Base-Backbone interact. energy: -1.528
local terms energy: -626.743548
where:
bonds (distance) C4'-P energy: -110.638
bonds (distance) P-C4' energy: -125.557
flat angles C4'-P-C4' energy: -139.080
flat angles P-C4'-P energy: -86.553
tors. eta vs tors. theta energy: -164.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1871.041341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.041341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.041341 (E_RNA)
where:
Base-Base interactions energy: -1270.527
where: short stacking energy: -548.262
Base-Backbone interact. energy: -0.160
local terms energy: -600.354494
where:
bonds (distance) C4'-P energy: -110.760
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -129.845
flat angles P-C4'-P energy: -74.001
tors. eta vs tors. theta energy: -166.987
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: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1604.921879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.921879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.921879 (E_RNA)
where:
Base-Base interactions energy: -1029.610
where: short stacking energy: -492.717
Base-Backbone interact. energy: -0.761
local terms energy: -574.550864
where:
bonds (distance) C4'-P energy: -107.154
bonds (distance) P-C4' energy: -123.924
flat angles C4'-P-C4' energy: -123.610
flat angles P-C4'-P energy: -77.406
tors. eta vs tors. theta energy: -142.457
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: 58
Temperature: 1.050000
Total energy: -1526.618489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.618489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.618489 (E_RNA)
where:
Base-Base interactions energy: -1000.839
where: short stacking energy: -434.200
Base-Backbone interact. energy: 0.766
local terms energy: -526.545200
where:
bonds (distance) C4'-P energy: -119.025
bonds (distance) P-C4' energy: -117.670
flat angles C4'-P-C4' energy: -98.024
flat angles P-C4'-P energy: -77.163
tors. eta vs tors. theta energy: -114.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1291.024765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.024765 (E_RNA)
where:
Base-Base interactions energy: -820.747
where: short stacking energy: -375.489
Base-Backbone interact. energy: -4.090
local terms energy: -466.188163
where:
bonds (distance) C4'-P energy: -99.525
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -103.651
flat angles P-C4'-P energy: -59.056
tors. eta vs tors. theta energy: -83.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1235.614761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.614761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.614761 (E_RNA)
where:
Base-Base interactions energy: -777.380
where: short stacking energy: -341.196
Base-Backbone interact. energy: -3.937
local terms energy: -454.297997
where:
bonds (distance) C4'-P energy: -103.656
bonds (distance) P-C4' energy: -104.918
flat angles C4'-P-C4' energy: -102.882
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -75.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1169.736570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.736570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.736570 (E_RNA)
where:
Base-Base interactions energy: -692.971
where: short stacking energy: -325.170
Base-Backbone interact. energy: -0.533
local terms energy: -476.233124
where:
bonds (distance) C4'-P energy: -109.867
bonds (distance) P-C4' energy: -114.285
flat angles C4'-P-C4' energy: -107.449
flat angles P-C4'-P energy: -72.904
tors. eta vs tors. theta energy: -71.729
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: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -849.367956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.367956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.367956 (E_RNA)
where:
Base-Base interactions energy: -470.400
where: short stacking energy: -246.530
Base-Backbone interact. energy: 1.415
local terms energy: -380.383798
where:
bonds (distance) C4'-P energy: -124.958
bonds (distance) P-C4' energy: -101.564
flat angles C4'-P-C4' energy: -88.602
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -559.583144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.583144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.583144 (E_RNA)
where:
Base-Base interactions energy: -231.285
where: short stacking energy: -126.404
Base-Backbone interact. energy: 4.556
local terms energy: -332.854917
where:
bonds (distance) C4'-P energy: -100.415
bonds (distance) P-C4' energy: -112.756
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: 10.952
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: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -511.204670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.204670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.204670 (E_RNA)
where:
Base-Base interactions energy: -190.862
where: short stacking energy: -117.116
Base-Backbone interact. energy: -1.433
local terms energy: -318.909310
where:
bonds (distance) C4'-P energy: -116.812
bonds (distance) P-C4' energy: -86.931
flat angles C4'-P-C4' energy: -97.089
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: 33.884
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: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1977.447432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.447432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.447432 (E_RNA)
where:
Base-Base interactions energy: -1345.236
where: short stacking energy: -542.444
Base-Backbone interact. energy: -0.460
local terms energy: -631.751757
where:
bonds (distance) C4'-P energy: -120.766
bonds (distance) P-C4' energy: -117.574
flat angles C4'-P-C4' energy: -142.147
flat angles P-C4'-P energy: -86.679
tors. eta vs tors. theta energy: -164.585
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1853.603709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.603709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.603709 (E_RNA)
where:
Base-Base interactions energy: -1245.566
where: short stacking energy: -556.914
Base-Backbone interact. energy: 1.503
local terms energy: -609.540969
where:
bonds (distance) C4'-P energy: -119.483
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -127.745
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -161.686
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: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1618.906207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.906207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.906207 (E_RNA)
where:
Base-Base interactions energy: -1053.677
where: short stacking energy: -478.614
Base-Backbone interact. energy: -2.451
local terms energy: -562.779143
where:
bonds (distance) C4'-P energy: -125.980
bonds (distance) P-C4' energy: -114.605
flat angles C4'-P-C4' energy: -127.967
flat angles P-C4'-P energy: -71.511
tors. eta vs tors. theta energy: -122.716
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: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1533.916327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.916327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.916327 (E_RNA)
where:
Base-Base interactions energy: -983.282
where: short stacking energy: -433.287
Base-Backbone interact. energy: -0.337
local terms energy: -550.297469
where:
bonds (distance) C4'-P energy: -106.872
bonds (distance) P-C4' energy: -114.727
flat angles C4'-P-C4' energy: -126.684
flat angles P-C4'-P energy: -83.780
tors. eta vs tors. theta energy: -118.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1241.154873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.154873 (E_RNA)
where:
Base-Base interactions energy: -741.000
where: short stacking energy: -374.957
Base-Backbone interact. energy: -1.612
local terms energy: -498.543106
where:
bonds (distance) C4'-P energy: -115.180
bonds (distance) P-C4' energy: -110.215
flat angles C4'-P-C4' energy: -110.945
flat angles P-C4'-P energy: -79.160
tors. eta vs tors. theta energy: -83.042
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: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1199.997651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.997651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.997651 (E_RNA)
where:
Base-Base interactions energy: -727.054
where: short stacking energy: -367.086
Base-Backbone interact. energy: -3.982
local terms energy: -468.961048
where:
bonds (distance) C4'-P energy: -103.121
bonds (distance) P-C4' energy: -96.750
flat angles C4'-P-C4' energy: -120.003
flat angles P-C4'-P energy: -64.594
tors. eta vs tors. theta energy: -84.493
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1129.756661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.756661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.756661 (E_RNA)
where:
Base-Base interactions energy: -673.396
where: short stacking energy: -346.162
Base-Backbone interact. energy: 4.167
local terms energy: -460.527993
where:
bonds (distance) C4'-P energy: -107.355
bonds (distance) P-C4' energy: -106.500
flat angles C4'-P-C4' energy: -109.387
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -62.218
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -809.844485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.844485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.844485 (E_RNA)
where:
Base-Base interactions energy: -463.750
where: short stacking energy: -220.923
Base-Backbone interact. energy: -2.443
local terms energy: -343.651339
where:
bonds (distance) C4'-P energy: -94.081
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -94.822
flat angles P-C4'-P energy: -56.775
tors. eta vs tors. theta energy: 7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -621.889846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.889846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.889846 (E_RNA)
where:
Base-Base interactions energy: -296.089
where: short stacking energy: -163.232
Base-Backbone interact. energy: -1.495
local terms energy: -324.305929
where:
bonds (distance) C4'-P energy: -92.900
bonds (distance) P-C4' energy: -104.487
flat angles C4'-P-C4' energy: -95.511
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: 17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -477.652661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.652661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.652661 (E_RNA)
where:
Base-Base interactions energy: -157.248
where: short stacking energy: -138.900
Base-Backbone interact. energy: 0.655
local terms energy: -321.058920
where:
bonds (distance) C4'-P energy: -88.990
bonds (distance) P-C4' energy: -112.927
flat angles C4'-P-C4' energy: -82.647
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: 14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1961.046904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.046904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.046904 (E_RNA)
where:
Base-Base interactions energy: -1319.959
where: short stacking energy: -534.009
Base-Backbone interact. energy: -0.155
local terms energy: -640.932772
where:
bonds (distance) C4'-P energy: -129.636
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -130.694
flat angles P-C4'-P energy: -86.696
tors. eta vs tors. theta energy: -159.017
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1854.787808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.787808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.787808 (E_RNA)
where:
Base-Base interactions energy: -1212.021
where: short stacking energy: -546.108
Base-Backbone interact. energy: -1.753
local terms energy: -641.013845
where:
bonds (distance) C4'-P energy: -109.944
bonds (distance) P-C4' energy: -126.254
flat angles C4'-P-C4' energy: -141.279
flat angles P-C4'-P energy: -96.631
tors. eta vs tors. theta energy: -166.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1646.714155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.714155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.714155 (E_RNA)
where:
Base-Base interactions energy: -1091.836
where: short stacking energy: -473.949
Base-Backbone interact. energy: -1.701
local terms energy: -553.177113
where:
bonds (distance) C4'-P energy: -112.162
bonds (distance) P-C4' energy: -115.802
flat angles C4'-P-C4' energy: -121.993
flat angles P-C4'-P energy: -75.883
tors. eta vs tors. theta energy: -127.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1517.189277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.189277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.189277 (E_RNA)
where:
Base-Base interactions energy: -974.281
where: short stacking energy: -447.239
Base-Backbone interact. energy: 1.218
local terms energy: -544.126308
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -115.147
flat angles C4'-P-C4' energy: -120.293
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -126.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1320.539601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.539601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.539601 (E_RNA)
where:
Base-Base interactions energy: -830.604
where: short stacking energy: -359.578
Base-Backbone interact. energy: 2.892
local terms energy: -492.828179
where:
bonds (distance) C4'-P energy: -104.481
bonds (distance) P-C4' energy: -123.565
flat angles C4'-P-C4' energy: -120.157
flat angles P-C4'-P energy: -70.977
tors. eta vs tors. theta energy: -73.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1229.968152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.968152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.968152 (E_RNA)
where:
Base-Base interactions energy: -752.643
where: short stacking energy: -370.092
Base-Backbone interact. energy: -1.930
local terms energy: -475.394554
where:
bonds (distance) C4'-P energy: -100.587
bonds (distance) P-C4' energy: -112.287
flat angles C4'-P-C4' energy: -112.237
flat angles P-C4'-P energy: -63.907
tors. eta vs tors. theta energy: -86.377
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: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1106.345350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.345350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.345350 (E_RNA)
where:
Base-Base interactions energy: -691.512
where: short stacking energy: -308.221
Base-Backbone interact. energy: -1.810
local terms energy: -413.022706
where:
bonds (distance) C4'-P energy: -94.665
bonds (distance) P-C4' energy: -104.333
flat angles C4'-P-C4' energy: -103.002
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -55.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -880.371817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.371817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.371817 (E_RNA)
where:
Base-Base interactions energy: -465.300
where: short stacking energy: -240.895
Base-Backbone interact. energy: 1.209
local terms energy: -416.280670
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -116.574
flat angles C4'-P-C4' energy: -96.134
flat angles P-C4'-P energy: -63.722
tors. eta vs tors. theta energy: -29.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -669.136050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.136050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.136050 (E_RNA)
where:
Base-Base interactions energy: -326.336
where: short stacking energy: -190.208
Base-Backbone interact. energy: -1.026
local terms energy: -341.773634
where:
bonds (distance) C4'-P energy: -108.449
bonds (distance) P-C4' energy: -104.821
flat angles C4'-P-C4' energy: -74.291
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -465.898674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.898674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.898674 (E_RNA)
where:
Base-Base interactions energy: -178.712
where: short stacking energy: -129.390
Base-Backbone interact. energy: 3.997
local terms energy: -291.183581
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -107.541
flat angles C4'-P-C4' energy: -75.673
flat angles P-C4'-P energy: -46.417
tors. eta vs tors. theta energy: 26.524
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: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1972.511373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.511373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.511373 (E_RNA)
where:
Base-Base interactions energy: -1347.423
where: short stacking energy: -547.078
Base-Backbone interact. energy: -3.665
local terms energy: -621.422879
where:
bonds (distance) C4'-P energy: -120.620
bonds (distance) P-C4' energy: -118.647
flat angles C4'-P-C4' energy: -138.784
flat angles P-C4'-P energy: -88.940
tors. eta vs tors. theta energy: -154.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1851.448375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.448375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.448375 (E_RNA)
where:
Base-Base interactions energy: -1248.198
where: short stacking energy: -528.830
Base-Backbone interact. energy: -0.760
local terms energy: -602.490944
where:
bonds (distance) C4'-P energy: -112.796
bonds (distance) P-C4' energy: -126.120
flat angles C4'-P-C4' energy: -118.489
flat angles P-C4'-P energy: -90.294
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: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1584.024643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.024643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.024643 (E_RNA)
where:
Base-Base interactions energy: -1020.565
where: short stacking energy: -478.079
Base-Backbone interact. energy: -2.840
local terms energy: -560.619758
where:
bonds (distance) C4'-P energy: -110.553
bonds (distance) P-C4' energy: -119.603
flat angles C4'-P-C4' energy: -121.686
flat angles P-C4'-P energy: -76.801
tors. eta vs tors. theta energy: -131.978
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1544.616916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.616916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.616916 (E_RNA)
where:
Base-Base interactions energy: -1009.524
where: short stacking energy: -439.599
Base-Backbone interact. energy: -0.661
local terms energy: -534.431668
where:
bonds (distance) C4'-P energy: -104.488
bonds (distance) P-C4' energy: -113.389
flat angles C4'-P-C4' energy: -121.435
flat angles P-C4'-P energy: -76.221
tors. eta vs tors. theta energy: -118.899
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1357.381075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.381075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.381075 (E_RNA)
where:
Base-Base interactions energy: -828.520
where: short stacking energy: -406.447
Base-Backbone interact. energy: -2.933
local terms energy: -525.928227
where:
bonds (distance) C4'-P energy: -109.047
bonds (distance) P-C4' energy: -113.563
flat angles C4'-P-C4' energy: -124.853
flat angles P-C4'-P energy: -78.527
tors. eta vs tors. theta energy: -99.938
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: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1216.070934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.070934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.070934 (E_RNA)
where:
Base-Base interactions energy: -752.207
where: short stacking energy: -355.070
Base-Backbone interact. energy: 11.728
local terms energy: -475.591922
where:
bonds (distance) C4'-P energy: -108.374
bonds (distance) P-C4' energy: -109.252
flat angles C4'-P-C4' energy: -99.793
flat angles P-C4'-P energy: -76.743
tors. eta vs tors. theta energy: -81.430
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: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1193.980313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.980313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.980313 (E_RNA)
where:
Base-Base interactions energy: -731.862
where: short stacking energy: -338.657
Base-Backbone interact. energy: -4.223
local terms energy: -457.895819
where:
bonds (distance) C4'-P energy: -115.122
bonds (distance) P-C4' energy: -107.944
flat angles C4'-P-C4' energy: -110.277
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: -64.958
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -815.670854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.670854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.670854 (E_RNA)
where:
Base-Base interactions energy: -453.492
where: short stacking energy: -236.342
Base-Backbone interact. energy: -2.380
local terms energy: -359.798686
where:
bonds (distance) C4'-P energy: -85.838
bonds (distance) P-C4' energy: -98.374
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -61.140
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -647.007398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.007398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.007398 (E_RNA)
where:
Base-Base interactions energy: -344.045
where: short stacking energy: -183.766
Base-Backbone interact. energy: 0.737
local terms energy: -303.699111
where:
bonds (distance) C4'-P energy: -101.400
bonds (distance) P-C4' energy: -89.890
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -57.099
tors. eta vs tors. theta energy: 23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -478.005874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.005874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.005874 (E_RNA)
where:
Base-Base interactions energy: -175.595
where: short stacking energy: -134.549
Base-Backbone interact. energy: 0.500
local terms energy: -302.911409
where:
bonds (distance) C4'-P energy: -97.636
bonds (distance) P-C4' energy: -123.670
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: 22.957
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: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1950.857778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.857778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.857778 (E_RNA)
where:
Base-Base interactions energy: -1314.822
where: short stacking energy: -568.416
Base-Backbone interact. energy: -1.329
local terms energy: -634.706508
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -126.199
flat angles C4'-P-C4' energy: -137.418
flat angles P-C4'-P energy: -89.769
tors. eta vs tors. theta energy: -160.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1886.448271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.448271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.448271 (E_RNA)
where:
Base-Base interactions energy: -1258.064
where: short stacking energy: -554.070
Base-Backbone interact. energy: -0.977
local terms energy: -627.408160
where:
bonds (distance) C4'-P energy: -107.218
bonds (distance) P-C4' energy: -126.157
flat angles C4'-P-C4' energy: -135.714
flat angles P-C4'-P energy: -91.188
tors. eta vs tors. theta energy: -167.131
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: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1646.295613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.295613 (E_RNA)
where:
Base-Base interactions energy: -1056.072
where: short stacking energy: -499.828
Base-Backbone interact. energy: 0.060
local terms energy: -590.283478
where:
bonds (distance) C4'-P energy: -121.892
bonds (distance) P-C4' energy: -120.984
flat angles C4'-P-C4' energy: -124.487
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -144.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1516.229495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.229495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.229495 (E_RNA)
where:
Base-Base interactions energy: -985.981
where: short stacking energy: -449.098
Base-Backbone interact. energy: -1.938
local terms energy: -528.310414
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -108.227
flat angles C4'-P-C4' energy: -108.753
flat angles P-C4'-P energy: -76.316
tors. eta vs tors. theta energy: -126.494
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1376.715682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.715682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.715682 (E_RNA)
where:
Base-Base interactions energy: -845.786
where: short stacking energy: -396.136
Base-Backbone interact. energy: -3.672
local terms energy: -527.258106
where:
bonds (distance) C4'-P energy: -108.005
bonds (distance) P-C4' energy: -116.831
flat angles C4'-P-C4' energy: -121.599
flat angles P-C4'-P energy: -89.139
tors. eta vs tors. theta energy: -91.685
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1231.552903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.552903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.552903 (E_RNA)
where:
Base-Base interactions energy: -732.244
where: short stacking energy: -351.048
Base-Backbone interact. energy: -2.341
local terms energy: -496.967590
where:
bonds (distance) C4'-P energy: -109.335
bonds (distance) P-C4' energy: -99.622
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -81.372
tors. eta vs tors. theta energy: -86.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1125.426379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.426379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.426379 (E_RNA)
where:
Base-Base interactions energy: -694.747
where: short stacking energy: -319.897
Base-Backbone interact. energy: -1.947
local terms energy: -428.731751
where:
bonds (distance) C4'-P energy: -105.565
bonds (distance) P-C4' energy: -105.204
flat angles C4'-P-C4' energy: -106.907
flat angles P-C4'-P energy: -62.576
tors. eta vs tors. theta energy: -48.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -849.884704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.884704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.884704 (E_RNA)
where:
Base-Base interactions energy: -466.341
where: short stacking energy: -249.064
Base-Backbone interact. energy: -3.556
local terms energy: -379.987854
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -99.485
flat angles C4'-P-C4' energy: -98.091
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: -16.649
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -652.324564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.324564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.324564 (E_RNA)
where:
Base-Base interactions energy: -322.140
where: short stacking energy: -159.199
Base-Backbone interact. energy: 3.509
local terms energy: -333.693369
where:
bonds (distance) C4'-P energy: -83.850
bonds (distance) P-C4' energy: -106.820
flat angles C4'-P-C4' energy: -91.185
flat angles P-C4'-P energy: -66.384
tors. eta vs tors. theta energy: 14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -465.970337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.970337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.970337 (E_RNA)
where:
Base-Base interactions energy: -184.813
where: short stacking energy: -132.412
Base-Backbone interact. energy: -2.705
local terms energy: -278.452750
where:
bonds (distance) C4'-P energy: -99.284
bonds (distance) P-C4' energy: -96.180
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: 12.928
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: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1969.064552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.064552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.064552 (E_RNA)
where:
Base-Base interactions energy: -1335.953
where: short stacking energy: -566.381
Base-Backbone interact. energy: -1.815
local terms energy: -631.297198
where:
bonds (distance) C4'-P energy: -122.916
bonds (distance) P-C4' energy: -113.681
flat angles C4'-P-C4' energy: -142.698
flat angles P-C4'-P energy: -90.051
tors. eta vs tors. theta energy: -161.951
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: 63
Temperature: 0.950000
Total energy: -1857.709281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.709281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.709281 (E_RNA)
where:
Base-Base interactions energy: -1250.671
where: short stacking energy: -524.074
Base-Backbone interact. energy: -0.928
local terms energy: -606.110337
where:
bonds (distance) C4'-P energy: -124.509
bonds (distance) P-C4' energy: -107.595
flat angles C4'-P-C4' energy: -131.567
flat angles P-C4'-P energy: -84.329
tors. eta vs tors. theta energy: -158.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1649.512886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.512886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.512886 (E_RNA)
where:
Base-Base interactions energy: -1049.882
where: short stacking energy: -486.495
Base-Backbone interact. energy: -1.179
local terms energy: -598.451918
where:
bonds (distance) C4'-P energy: -122.049
bonds (distance) P-C4' energy: -113.803
flat angles C4'-P-C4' energy: -138.080
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -147.075
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: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1436.500183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.500183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.500183 (E_RNA)
where:
Base-Base interactions energy: -892.096
where: short stacking energy: -365.033
Base-Backbone interact. energy: 1.394
local terms energy: -545.797954
where:
bonds (distance) C4'-P energy: -131.677
bonds (distance) P-C4' energy: -127.379
flat angles C4'-P-C4' energy: -114.565
flat angles P-C4'-P energy: -82.268
tors. eta vs tors. theta energy: -89.910
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: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1385.212494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.212494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.212494 (E_RNA)
where:
Base-Base interactions energy: -894.470
where: short stacking energy: -395.564
Base-Backbone interact. energy: -1.906
local terms energy: -488.836527
where:
bonds (distance) C4'-P energy: -113.013
bonds (distance) P-C4' energy: -95.073
flat angles C4'-P-C4' energy: -109.862
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -100.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1213.208140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.208140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.208140 (E_RNA)
where:
Base-Base interactions energy: -740.929
where: short stacking energy: -301.479
Base-Backbone interact. energy: 2.262
local terms energy: -474.541489
where:
bonds (distance) C4'-P energy: -106.086
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -117.165
flat angles P-C4'-P energy: -70.960
tors. eta vs tors. theta energy: -64.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1128.893677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.893677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.893677 (E_RNA)
where:
Base-Base interactions energy: -680.780
where: short stacking energy: -318.677
Base-Backbone interact. energy: -2.007
local terms energy: -446.106088
where:
bonds (distance) C4'-P energy: -105.352
bonds (distance) P-C4' energy: -107.975
flat angles C4'-P-C4' energy: -107.815
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -62.528
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: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -807.613815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.613815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.613815 (E_RNA)
where:
Base-Base interactions energy: -437.138
where: short stacking energy: -226.776
Base-Backbone interact. energy: -2.339
local terms energy: -368.136162
where:
bonds (distance) C4'-P energy: -101.834
bonds (distance) P-C4' energy: -94.645
flat angles C4'-P-C4' energy: -84.888
flat angles P-C4'-P energy: -67.509
tors. eta vs tors. theta energy: -19.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -629.230087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.230087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.230087 (E_RNA)
where:
Base-Base interactions energy: -282.034
where: short stacking energy: -148.843
Base-Backbone interact. energy: -2.270
local terms energy: -344.926541
where:
bonds (distance) C4'-P energy: -101.348
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -83.754
flat angles P-C4'-P energy: -56.794
tors. eta vs tors. theta energy: 16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -466.014494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.014494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.014494 (E_RNA)
where:
Base-Base interactions energy: -173.842
where: short stacking energy: -133.877
Base-Backbone interact. energy: 0.434
local terms energy: -292.606292
where:
bonds (distance) C4'-P energy: -98.024
bonds (distance) P-C4' energy: -92.849
flat angles C4'-P-C4' energy: -77.352
flat angles P-C4'-P energy: -58.588
tors. eta vs tors. theta energy: 34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1964.954481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.954481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.954481 (E_RNA)
where:
Base-Base interactions energy: -1334.499
where: short stacking energy: -553.585
Base-Backbone interact. energy: -3.108
local terms energy: -627.347772
where:
bonds (distance) C4'-P energy: -113.834
bonds (distance) P-C4' energy: -117.384
flat angles C4'-P-C4' energy: -138.642
flat angles P-C4'-P energy: -99.187
tors. eta vs tors. theta energy: -158.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1863.037068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.037068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.037068 (E_RNA)
where:
Base-Base interactions energy: -1227.126
where: short stacking energy: -536.989
Base-Backbone interact. energy: -1.842
local terms energy: -634.069661
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -119.960
flat angles C4'-P-C4' energy: -130.593
flat angles P-C4'-P energy: -90.722
tors. eta vs tors. theta energy: -163.562
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1662.595615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.595615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.595615 (E_RNA)
where:
Base-Base interactions energy: -1070.545
where: short stacking energy: -480.942
Base-Backbone interact. energy: -1.969
local terms energy: -590.081260
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -124.190
flat angles C4'-P-C4' energy: -130.745
flat angles P-C4'-P energy: -79.774
tors. eta vs tors. theta energy: -148.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1498.169442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.169442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.169442 (E_RNA)
where:
Base-Base interactions energy: -961.760
where: short stacking energy: -424.781
Base-Backbone interact. energy: -1.159
local terms energy: -535.250413
where:
bonds (distance) C4'-P energy: -111.295
bonds (distance) P-C4' energy: -105.915
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -82.006
tors. eta vs tors. theta energy: -111.191
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1414.537119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.537119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.537119 (E_RNA)
where:
Base-Base interactions energy: -911.329
where: short stacking energy: -429.009
Base-Backbone interact. energy: -2.193
local terms energy: -501.014648
where:
bonds (distance) C4'-P energy: -102.798
bonds (distance) P-C4' energy: -103.516
flat angles C4'-P-C4' energy: -117.831
flat angles P-C4'-P energy: -71.645
tors. eta vs tors. theta energy: -105.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1252.997786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.997786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.997786 (E_RNA)
where:
Base-Base interactions energy: -806.361
where: short stacking energy: -366.594
Base-Backbone interact. energy: -0.083
local terms energy: -446.553740
where:
bonds (distance) C4'-P energy: -95.868
bonds (distance) P-C4' energy: -97.269
flat angles C4'-P-C4' energy: -94.474
flat angles P-C4'-P energy: -72.995
tors. eta vs tors. theta energy: -85.947
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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1015.796918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.796918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.796918 (E_RNA)
where:
Base-Base interactions energy: -596.069
where: short stacking energy: -301.355
Base-Backbone interact. energy: -0.367
local terms energy: -419.360924
where:
bonds (distance) C4'-P energy: -92.404
bonds (distance) P-C4' energy: -109.784
flat angles C4'-P-C4' energy: -107.350
flat angles P-C4'-P energy: -59.368
tors. eta vs tors. theta energy: -50.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -816.574107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.574107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.574107 (E_RNA)
where:
Base-Base interactions energy: -436.343
where: short stacking energy: -209.709
Base-Backbone interact. energy: -2.205
local terms energy: -378.026424
where:
bonds (distance) C4'-P energy: -101.244
bonds (distance) P-C4' energy: -103.693
flat angles C4'-P-C4' energy: -107.594
flat angles P-C4'-P energy: -53.121
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -646.110624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.110624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.110624 (E_RNA)
where:
Base-Base interactions energy: -306.353
where: short stacking energy: -188.429
Base-Backbone interact. energy: 1.826
local terms energy: -341.583698
where:
bonds (distance) C4'-P energy: -95.684
bonds (distance) P-C4' energy: -108.592
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -485.804377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.804377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.804377 (E_RNA)
where:
Base-Base interactions energy: -160.049
where: short stacking energy: -121.960
Base-Backbone interact. energy: 6.972
local terms energy: -332.726946
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -122.554
flat angles C4'-P-C4' energy: -98.364
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: 23.066
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1997.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.845161 (E_RNA)
where:
Base-Base interactions energy: -1329.321
where: short stacking energy: -567.490
Base-Backbone interact. energy: 1.184
local terms energy: -669.708280
where:
bonds (distance) C4'-P energy: -129.291
bonds (distance) P-C4' energy: -119.060
flat angles C4'-P-C4' energy: -152.165
flat angles P-C4'-P energy: -101.252
tors. eta vs tors. theta energy: -167.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1849.948137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.948137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.948137 (E_RNA)
where:
Base-Base interactions energy: -1210.230
where: short stacking energy: -523.595
Base-Backbone interact. energy: -1.740
local terms energy: -637.978653
where:
bonds (distance) C4'-P energy: -127.193
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -128.522
flat angles P-C4'-P energy: -93.635
tors. eta vs tors. theta energy: -158.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1681.189573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.189573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.189573 (E_RNA)
where:
Base-Base interactions energy: -1084.764
where: short stacking energy: -515.284
Base-Backbone interact. energy: -1.142
local terms energy: -595.284186
where:
bonds (distance) C4'-P energy: -119.967
bonds (distance) P-C4' energy: -118.498
flat angles C4'-P-C4' energy: -131.476
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -137.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1446.113455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.113455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.113455 (E_RNA)
where:
Base-Base interactions energy: -922.190
where: short stacking energy: -427.669
Base-Backbone interact. energy: 0.500
local terms energy: -524.423682
where:
bonds (distance) C4'-P energy: -112.290
bonds (distance) P-C4' energy: -120.553
flat angles C4'-P-C4' energy: -127.518
flat angles P-C4'-P energy: -66.700
tors. eta vs tors. theta energy: -97.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1379.909494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.909494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.909494 (E_RNA)
where:
Base-Base interactions energy: -891.049
where: short stacking energy: -414.737
Base-Backbone interact. energy: -0.757
local terms energy: -488.103953
where:
bonds (distance) C4'-P energy: -98.325
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -114.854
flat angles P-C4'-P energy: -73.578
tors. eta vs tors. theta energy: -93.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1253.274541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.274541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.274541 (E_RNA)
where:
Base-Base interactions energy: -774.075
where: short stacking energy: -356.585
Base-Backbone interact. energy: -1.588
local terms energy: -477.611746
where:
bonds (distance) C4'-P energy: -124.708
bonds (distance) P-C4' energy: -111.343
flat angles C4'-P-C4' energy: -102.081
flat angles P-C4'-P energy: -60.039
tors. eta vs tors. theta energy: -79.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1111.291548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.291548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.291548 (E_RNA)
where:
Base-Base interactions energy: -703.711
where: short stacking energy: -307.593
Base-Backbone interact. energy: 1.010
local terms energy: -408.590553
where:
bonds (distance) C4'-P energy: -103.524
bonds (distance) P-C4' energy: -101.295
flat angles C4'-P-C4' energy: -86.340
flat angles P-C4'-P energy: -62.823
tors. eta vs tors. theta energy: -54.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -798.769756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.769756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.769756 (E_RNA)
where:
Base-Base interactions energy: -420.139
where: short stacking energy: -212.943
Base-Backbone interact. energy: 0.517
local terms energy: -379.147782
where:
bonds (distance) C4'-P energy: -106.023
bonds (distance) P-C4' energy: -101.296
flat angles C4'-P-C4' energy: -108.107
flat angles P-C4'-P energy: -57.427
tors. eta vs tors. theta energy: -6.294
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: 65
Temperature: 1.300000
Total energy: -660.886140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.886140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.886140 (E_RNA)
where:
Base-Base interactions energy: -327.763
where: short stacking energy: -167.592
Base-Backbone interact. energy: -1.704
local terms energy: -331.418619
where:
bonds (distance) C4'-P energy: -84.268
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -82.422
flat angles P-C4'-P energy: -61.935
tors. eta vs tors. theta energy: 18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -509.514477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.514477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.514477 (E_RNA)
where:
Base-Base interactions energy: -208.161
where: short stacking energy: -142.148
Base-Backbone interact. energy: -1.278
local terms energy: -300.074873
where:
bonds (distance) C4'-P energy: -106.616
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -91.050
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: 31.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2009.225624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.225624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.225624 (E_RNA)
where:
Base-Base interactions energy: -1358.285
where: short stacking energy: -562.712
Base-Backbone interact. energy: 2.467
local terms energy: -653.407348
where:
bonds (distance) C4'-P energy: -120.522
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -150.574
flat angles P-C4'-P energy: -93.572
tors. eta vs tors. theta energy: -158.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1869.409383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.409383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.409383 (E_RNA)
where:
Base-Base interactions energy: -1230.011
where: short stacking energy: -555.198
Base-Backbone interact. energy: 0.717
local terms energy: -640.115895
where:
bonds (distance) C4'-P energy: -120.358
bonds (distance) P-C4' energy: -119.282
flat angles C4'-P-C4' energy: -138.253
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -174.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1747.333560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.333560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.333560 (E_RNA)
where:
Base-Base interactions energy: -1139.085
where: short stacking energy: -518.185
Base-Backbone interact. energy: 0.909
local terms energy: -609.157521
where:
bonds (distance) C4'-P energy: -106.950
bonds (distance) P-C4' energy: -120.279
flat angles C4'-P-C4' energy: -135.375
flat angles P-C4'-P energy: -94.137
tors. eta vs tors. theta energy: -152.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1452.214998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.214998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.214998 (E_RNA)
where:
Base-Base interactions energy: -900.904
where: short stacking energy: -427.542
Base-Backbone interact. energy: -3.949
local terms energy: -547.361603
where:
bonds (distance) C4'-P energy: -102.591
bonds (distance) P-C4' energy: -122.766
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -70.756
tors. eta vs tors. theta energy: -115.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1402.886603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.886603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.886603 (E_RNA)
where:
Base-Base interactions energy: -880.751
where: short stacking energy: -413.466
Base-Backbone interact. energy: -1.651
local terms energy: -520.485207
where:
bonds (distance) C4'-P energy: -113.575
bonds (distance) P-C4' energy: -109.574
flat angles C4'-P-C4' energy: -113.189
flat angles P-C4'-P energy: -72.033
tors. eta vs tors. theta energy: -112.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1330.421088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.421088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.421088 (E_RNA)
where:
Base-Base interactions energy: -852.691
where: short stacking energy: -378.422
Base-Backbone interact. energy: -1.809
local terms energy: -475.920867
where:
bonds (distance) C4'-P energy: -109.888
bonds (distance) P-C4' energy: -106.466
flat angles C4'-P-C4' energy: -96.930
flat angles P-C4'-P energy: -71.837
tors. eta vs tors. theta energy: -90.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1061.456493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.456493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.456493 (E_RNA)
where:
Base-Base interactions energy: -610.929
where: short stacking energy: -304.842
Base-Backbone interact. energy: -0.655
local terms energy: -449.872329
where:
bonds (distance) C4'-P energy: -118.041
bonds (distance) P-C4' energy: -111.475
flat angles C4'-P-C4' energy: -100.817
flat angles P-C4'-P energy: -67.052
tors. eta vs tors. theta energy: -52.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -843.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.324306 (E_RNA)
where:
Base-Base interactions energy: -469.293
where: short stacking energy: -238.790
Base-Backbone interact. energy: -0.452
local terms energy: -373.579568
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -117.933
flat angles C4'-P-C4' energy: -89.718
flat angles P-C4'-P energy: -54.046
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -673.721528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.721528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.721528 (E_RNA)
where:
Base-Base interactions energy: -345.409
where: short stacking energy: -198.153
Base-Backbone interact. energy: -1.822
local terms energy: -326.490778
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -93.509
flat angles C4'-P-C4' energy: -88.881
flat angles P-C4'-P energy: -53.995
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -467.641029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.641029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.641029 (E_RNA)
where:
Base-Base interactions energy: -161.227
where: short stacking energy: -129.031
Base-Backbone interact. energy: 1.520
local terms energy: -307.934167
where:
bonds (distance) C4'-P energy: -100.656
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -89.922
flat angles P-C4'-P energy: -47.910
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: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1964.078243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.078243 (E_RNA)
where:
Base-Base interactions energy: -1317.885
where: short stacking energy: -561.687
Base-Backbone interact. energy: -2.399
local terms energy: -643.794682
where:
bonds (distance) C4'-P energy: -121.201
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -133.261
flat angles P-C4'-P energy: -95.740
tors. eta vs tors. theta energy: -169.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1892.252487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.252487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.252487 (E_RNA)
where:
Base-Base interactions energy: -1241.280
where: short stacking energy: -567.787
Base-Backbone interact. energy: -2.724
local terms energy: -648.248498
where:
bonds (distance) C4'-P energy: -120.275
bonds (distance) P-C4' energy: -134.801
flat angles C4'-P-C4' energy: -135.069
flat angles P-C4'-P energy: -83.668
tors. eta vs tors. theta energy: -174.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1774.112760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.112760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.112760 (E_RNA)
where:
Base-Base interactions energy: -1178.335
where: short stacking energy: -528.188
Base-Backbone interact. energy: -1.834
local terms energy: -593.943065
where:
bonds (distance) C4'-P energy: -111.960
bonds (distance) P-C4' energy: -111.318
flat angles C4'-P-C4' energy: -127.361
flat angles P-C4'-P energy: -88.570
tors. eta vs tors. theta energy: -154.734
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: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1437.449954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.449954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.449954 (E_RNA)
where:
Base-Base interactions energy: -934.633
where: short stacking energy: -412.919
Base-Backbone interact. energy: -1.828
local terms energy: -500.989261
where:
bonds (distance) C4'-P energy: -117.585
bonds (distance) P-C4' energy: -118.815
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -69.440
tors. eta vs tors. theta energy: -96.494
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: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1419.274988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.274988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.274988 (E_RNA)
where:
Base-Base interactions energy: -897.810
where: short stacking energy: -418.804
Base-Backbone interact. energy: -0.757
local terms energy: -520.708369
where:
bonds (distance) C4'-P energy: -115.937
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -110.073
flat angles P-C4'-P energy: -61.296
tors. eta vs tors. theta energy: -112.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1398.407252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.407252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.407252 (E_RNA)
where:
Base-Base interactions energy: -905.339
where: short stacking energy: -385.102
Base-Backbone interact. energy: 2.858
local terms energy: -495.925841
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -97.779
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -82.302
tors. eta vs tors. theta energy: -83.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -996.080641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.080641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.080641 (E_RNA)
where:
Base-Base interactions energy: -585.386
where: short stacking energy: -286.155
Base-Backbone interact. energy: -1.071
local terms energy: -409.622846
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -110.247
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -44.831
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -797.314412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.314412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.314412 (E_RNA)
where:
Base-Base interactions energy: -437.860
where: short stacking energy: -228.272
Base-Backbone interact. energy: 3.539
local terms energy: -362.993198
where:
bonds (distance) C4'-P energy: -99.999
bonds (distance) P-C4' energy: -117.492
flat angles C4'-P-C4' energy: -74.829
flat angles P-C4'-P energy: -55.727
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -646.603134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.603134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.603134 (E_RNA)
where:
Base-Base interactions energy: -323.484
where: short stacking energy: -186.152
Base-Backbone interact. energy: -0.244
local terms energy: -322.874594
where:
bonds (distance) C4'-P energy: -106.310
bonds (distance) P-C4' energy: -93.838
flat angles C4'-P-C4' energy: -86.392
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: 8.581
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: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -446.671821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.671821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.671821 (E_RNA)
where:
Base-Base interactions energy: -128.618
where: short stacking energy: -97.707
Base-Backbone interact. energy: -0.786
local terms energy: -317.268202
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -112.741
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -59.090
tors. eta vs tors. theta energy: 39.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2025.689827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.689827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.689827 (E_RNA)
where:
Base-Base interactions energy: -1371.317
where: short stacking energy: -557.277
Base-Backbone interact. energy: 0.395
local terms energy: -654.767904
where:
bonds (distance) C4'-P energy: -121.045
bonds (distance) P-C4' energy: -134.683
flat angles C4'-P-C4' energy: -134.596
flat angles P-C4'-P energy: -91.163
tors. eta vs tors. theta energy: -173.281
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: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1880.576220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.576220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.576220 (E_RNA)
where:
Base-Base interactions energy: -1234.043
where: short stacking energy: -554.908
Base-Backbone interact. energy: -3.614
local terms energy: -642.918566
where:
bonds (distance) C4'-P energy: -119.272
bonds (distance) P-C4' energy: -122.617
flat angles C4'-P-C4' energy: -135.734
flat angles P-C4'-P energy: -96.465
tors. eta vs tors. theta energy: -168.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1780.376405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.376405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.376405 (E_RNA)
where:
Base-Base interactions energy: -1189.517
where: short stacking energy: -507.077
Base-Backbone interact. energy: -1.437
local terms energy: -589.422840
where:
bonds (distance) C4'-P energy: -116.271
bonds (distance) P-C4' energy: -105.099
flat angles C4'-P-C4' energy: -126.051
flat angles P-C4'-P energy: -93.755
tors. eta vs tors. theta energy: -148.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1484.497862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.497862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.497862 (E_RNA)
where:
Base-Base interactions energy: -979.519
where: short stacking energy: -423.203
Base-Backbone interact. energy: -2.349
local terms energy: -502.630084
where:
bonds (distance) C4'-P energy: -98.377
bonds (distance) P-C4' energy: -100.967
flat angles C4'-P-C4' energy: -135.139
flat angles P-C4'-P energy: -68.900
tors. eta vs tors. theta energy: -99.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1382.122071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.122071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.122071 (E_RNA)
where:
Base-Base interactions energy: -872.784
where: short stacking energy: -383.230
Base-Backbone interact. energy: -3.619
local terms energy: -505.719203
where:
bonds (distance) C4'-P energy: -102.185
bonds (distance) P-C4' energy: -128.766
flat angles C4'-P-C4' energy: -107.029
flat angles P-C4'-P energy: -70.554
tors. eta vs tors. theta energy: -97.185
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: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1330.112384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.112384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.112384 (E_RNA)
where:
Base-Base interactions energy: -878.638
where: short stacking energy: -385.719
Base-Backbone interact. energy: -1.538
local terms energy: -449.936523
where:
bonds (distance) C4'-P energy: -87.819
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -105.455
flat angles P-C4'-P energy: -64.912
tors. eta vs tors. theta energy: -96.429
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1030.664705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.664705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.664705 (E_RNA)
where:
Base-Base interactions energy: -595.429
where: short stacking energy: -275.908
Base-Backbone interact. energy: 1.358
local terms energy: -436.593792
where:
bonds (distance) C4'-P energy: -103.258
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -99.266
flat angles P-C4'-P energy: -69.791
tors. eta vs tors. theta energy: -58.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -769.990826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.990826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.990826 (E_RNA)
where:
Base-Base interactions energy: -409.032
where: short stacking energy: -213.895
Base-Backbone interact. energy: -2.685
local terms energy: -358.273705
where:
bonds (distance) C4'-P energy: -111.183
bonds (distance) P-C4' energy: -98.809
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -652.569128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.569128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.569128 (E_RNA)
where:
Base-Base interactions energy: -307.453
where: short stacking energy: -198.102
Base-Backbone interact. energy: -1.775
local terms energy: -343.341651
where:
bonds (distance) C4'-P energy: -94.746
bonds (distance) P-C4' energy: -105.400
flat angles C4'-P-C4' energy: -102.495
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -474.551065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.551065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.551065 (E_RNA)
where:
Base-Base interactions energy: -153.096
where: short stacking energy: -121.413
Base-Backbone interact. energy: 1.991
local terms energy: -323.446893
where:
bonds (distance) C4'-P energy: -103.573
bonds (distance) P-C4' energy: -99.565
flat angles C4'-P-C4' energy: -89.551
flat angles P-C4'-P energy: -47.493
tors. eta vs tors. theta energy: 16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2002.825101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.825101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.825101 (E_RNA)
where:
Base-Base interactions energy: -1379.804
where: short stacking energy: -571.835
Base-Backbone interact. energy: 0.883
local terms energy: -623.904728
where:
bonds (distance) C4'-P energy: -120.727
bonds (distance) P-C4' energy: -115.629
flat angles C4'-P-C4' energy: -131.647
flat angles P-C4'-P energy: -88.959
tors. eta vs tors. theta energy: -166.942
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: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1852.798561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.798561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.798561 (E_RNA)
where:
Base-Base interactions energy: -1214.547
where: short stacking energy: -553.276
Base-Backbone interact. energy: 1.215
local terms energy: -639.466169
where:
bonds (distance) C4'-P energy: -124.933
bonds (distance) P-C4' energy: -129.447
flat angles C4'-P-C4' energy: -139.711
flat angles P-C4'-P energy: -86.009
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: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1770.414071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.414071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.414071 (E_RNA)
where:
Base-Base interactions energy: -1166.752
where: short stacking energy: -503.301
Base-Backbone interact. energy: -2.857
local terms energy: -600.804812
where:
bonds (distance) C4'-P energy: -121.126
bonds (distance) P-C4' energy: -119.672
flat angles C4'-P-C4' energy: -130.658
flat angles P-C4'-P energy: -80.485
tors. eta vs tors. theta energy: -148.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1464.988161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.988161 (E_RNA)
where:
Base-Base interactions energy: -896.709
where: short stacking energy: -418.988
Base-Backbone interact. energy: -2.551
local terms energy: -565.727813
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -116.914
flat angles C4'-P-C4' energy: -134.073
flat angles P-C4'-P energy: -88.451
tors. eta vs tors. theta energy: -124.125
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: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1459.152669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.152669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.152669 (E_RNA)
where:
Base-Base interactions energy: -950.501
where: short stacking energy: -415.474
Base-Backbone interact. energy: 0.051
local terms energy: -508.703011
where:
bonds (distance) C4'-P energy: -100.468
bonds (distance) P-C4' energy: -109.924
flat angles C4'-P-C4' energy: -107.694
flat angles P-C4'-P energy: -79.783
tors. eta vs tors. theta energy: -110.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1363.908891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.908891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.908891 (E_RNA)
where:
Base-Base interactions energy: -885.975
where: short stacking energy: -402.241
Base-Backbone interact. energy: -4.201
local terms energy: -473.732740
where:
bonds (distance) C4'-P energy: -85.351
bonds (distance) P-C4' energy: -107.098
flat angles C4'-P-C4' energy: -116.393
flat angles P-C4'-P energy: -59.812
tors. eta vs tors. theta energy: -105.079
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: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1074.590911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.590911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.590911 (E_RNA)
where:
Base-Base interactions energy: -650.396
where: short stacking energy: -298.968
Base-Backbone interact. energy: 1.877
local terms energy: -426.071381
where:
bonds (distance) C4'-P energy: -97.151
bonds (distance) P-C4' energy: -106.728
flat angles C4'-P-C4' energy: -91.293
flat angles P-C4'-P energy: -69.470
tors. eta vs tors. theta energy: -61.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -735.098577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.098577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.098577 (E_RNA)
where:
Base-Base interactions energy: -372.939
where: short stacking energy: -190.788
Base-Backbone interact. energy: 0.101
local terms energy: -362.259972
where:
bonds (distance) C4'-P energy: -102.327
bonds (distance) P-C4' energy: -114.462
flat angles C4'-P-C4' energy: -81.068
flat angles P-C4'-P energy: -57.205
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -675.425607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.425607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.425607 (E_RNA)
where:
Base-Base interactions energy: -335.950
where: short stacking energy: -191.792
Base-Backbone interact. energy: -0.826
local terms energy: -338.650073
where:
bonds (distance) C4'-P energy: -89.109
bonds (distance) P-C4' energy: -108.781
flat angles C4'-P-C4' energy: -85.066
flat angles P-C4'-P energy: -48.050
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -485.646288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.646288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.646288 (E_RNA)
where:
Base-Base interactions energy: -178.596
where: short stacking energy: -134.820
Base-Backbone interact. energy: -0.087
local terms energy: -306.963031
where:
bonds (distance) C4'-P energy: -88.853
bonds (distance) P-C4' energy: -91.883
flat angles C4'-P-C4' energy: -92.678
flat angles P-C4'-P energy: -59.795
tors. eta vs tors. theta energy: 26.245
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: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2011.697612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.697612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.697612 (E_RNA)
where:
Base-Base interactions energy: -1370.465
where: short stacking energy: -574.455
Base-Backbone interact. energy: -0.524
local terms energy: -640.709062
where:
bonds (distance) C4'-P energy: -130.192
bonds (distance) P-C4' energy: -129.478
flat angles C4'-P-C4' energy: -130.484
flat angles P-C4'-P energy: -76.730
tors. eta vs tors. theta energy: -173.826
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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1830.170711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.170711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.170711 (E_RNA)
where:
Base-Base interactions energy: -1202.753
where: short stacking energy: -539.301
Base-Backbone interact. energy: -3.161
local terms energy: -624.256247
where:
bonds (distance) C4'-P energy: -103.194
bonds (distance) P-C4' energy: -134.621
flat angles C4'-P-C4' energy: -134.936
flat angles P-C4'-P energy: -90.857
tors. eta vs tors. theta energy: -160.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1791.680525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.680525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.680525 (E_RNA)
where:
Base-Base interactions energy: -1195.160
where: short stacking energy: -552.926
Base-Backbone interact. energy: -3.298
local terms energy: -593.222599
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -106.169
flat angles C4'-P-C4' energy: -129.515
flat angles P-C4'-P energy: -80.981
tors. eta vs tors. theta energy: -162.688
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1502.247867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.247867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.247867 (E_RNA)
where:
Base-Base interactions energy: -922.619
where: short stacking energy: -433.992
Base-Backbone interact. energy: -2.383
local terms energy: -577.245276
where:
bonds (distance) C4'-P energy: -129.222
bonds (distance) P-C4' energy: -121.766
flat angles C4'-P-C4' energy: -122.314
flat angles P-C4'-P energy: -84.967
tors. eta vs tors. theta energy: -118.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1497.879458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.879458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.879458 (E_RNA)
where:
Base-Base interactions energy: -977.264
where: short stacking energy: -429.944
Base-Backbone interact. energy: -3.765
local terms energy: -516.850378
where:
bonds (distance) C4'-P energy: -99.003
bonds (distance) P-C4' energy: -107.733
flat angles C4'-P-C4' energy: -123.339
flat angles P-C4'-P energy: -67.175
tors. eta vs tors. theta energy: -119.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1362.502593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.502593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.502593 (E_RNA)
where:
Base-Base interactions energy: -886.425
where: short stacking energy: -375.478
Base-Backbone interact. energy: -2.027
local terms energy: -474.049946
where:
bonds (distance) C4'-P energy: -92.971
bonds (distance) P-C4' energy: -107.402
flat angles C4'-P-C4' energy: -108.144
flat angles P-C4'-P energy: -65.676
tors. eta vs tors. theta energy: -99.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1079.391853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.391853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.391853 (E_RNA)
where:
Base-Base interactions energy: -622.630
where: short stacking energy: -308.829
Base-Backbone interact. energy: 0.258
local terms energy: -457.019998
where:
bonds (distance) C4'-P energy: -115.444
bonds (distance) P-C4' energy: -101.497
flat angles C4'-P-C4' energy: -107.799
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -73.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -735.137399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.137399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.137399 (E_RNA)
where:
Base-Base interactions energy: -353.366
where: short stacking energy: -185.008
Base-Backbone interact. energy: 5.200
local terms energy: -386.971153
where:
bonds (distance) C4'-P energy: -108.549
bonds (distance) P-C4' energy: -118.831
flat angles C4'-P-C4' energy: -97.305
flat angles P-C4'-P energy: -62.345
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -661.623870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.623870 (E_RNA)
where:
Base-Base interactions energy: -299.485
where: short stacking energy: -184.872
Base-Backbone interact. energy: 5.182
local terms energy: -367.320644
where:
bonds (distance) C4'-P energy: -102.090
bonds (distance) P-C4' energy: -113.975
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -457.045436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.045436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.045436 (E_RNA)
where:
Base-Base interactions energy: -166.605
where: short stacking energy: -126.056
Base-Backbone interact. energy: 2.314
local terms energy: -292.754192
where:
bonds (distance) C4'-P energy: -93.714
bonds (distance) P-C4' energy: -100.043
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: 15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1997.824835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.824835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.824835 (E_RNA)
where:
Base-Base interactions energy: -1354.599
where: short stacking energy: -563.249
Base-Backbone interact. energy: -0.522
local terms energy: -642.704787
where:
bonds (distance) C4'-P energy: -127.286
bonds (distance) P-C4' energy: -118.192
flat angles C4'-P-C4' energy: -134.031
flat angles P-C4'-P energy: -98.780
tors. eta vs tors. theta energy: -164.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1841.878913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.878913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.878913 (E_RNA)
where:
Base-Base interactions energy: -1193.180
where: short stacking energy: -531.722
Base-Backbone interact. energy: -2.178
local terms energy: -646.520894
where:
bonds (distance) C4'-P energy: -126.631
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -136.253
flat angles P-C4'-P energy: -91.315
tors. eta vs tors. theta energy: -160.164
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1794.862125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.862125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.862125 (E_RNA)
where:
Base-Base interactions energy: -1194.219
where: short stacking energy: -517.809
Base-Backbone interact. energy: 1.068
local terms energy: -601.710440
where:
bonds (distance) C4'-P energy: -110.763
bonds (distance) P-C4' energy: -121.622
flat angles C4'-P-C4' energy: -123.992
flat angles P-C4'-P energy: -87.414
tors. eta vs tors. theta energy: -157.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1508.595926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.595926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.595926 (E_RNA)
where:
Base-Base interactions energy: -965.934
where: short stacking energy: -441.399
Base-Backbone interact. energy: -0.120
local terms energy: -542.542065
where:
bonds (distance) C4'-P energy: -99.466
bonds (distance) P-C4' energy: -119.253
flat angles C4'-P-C4' energy: -119.619
flat angles P-C4'-P energy: -93.275
tors. eta vs tors. theta energy: -110.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1458.693803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.693803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.693803 (E_RNA)
where:
Base-Base interactions energy: -937.089
where: short stacking energy: -397.785
Base-Backbone interact. energy: -3.055
local terms energy: -518.550627
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -114.972
flat angles C4'-P-C4' energy: -113.950
flat angles P-C4'-P energy: -80.593
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: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1316.896755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.896755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.896755 (E_RNA)
where:
Base-Base interactions energy: -831.029
where: short stacking energy: -351.855
Base-Backbone interact. energy: 2.649
local terms energy: -488.517377
where:
bonds (distance) C4'-P energy: -114.957
bonds (distance) P-C4' energy: -116.081
flat angles C4'-P-C4' energy: -110.275
flat angles P-C4'-P energy: -56.343
tors. eta vs tors. theta energy: -90.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1069.454378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.454378 (E_RNA)
where:
Base-Base interactions energy: -618.094
where: short stacking energy: -275.382
Base-Backbone interact. energy: -0.881
local terms energy: -450.480128
where:
bonds (distance) C4'-P energy: -107.444
bonds (distance) P-C4' energy: -117.384
flat angles C4'-P-C4' energy: -99.383
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -57.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -755.743644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.743644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.743644 (E_RNA)
where:
Base-Base interactions energy: -393.906
where: short stacking energy: -200.841
Base-Backbone interact. energy: 3.724
local terms energy: -365.560867
where:
bonds (distance) C4'-P energy: -115.877
bonds (distance) P-C4' energy: -116.090
flat angles C4'-P-C4' energy: -68.145
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -616.479451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.479451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.479451 (E_RNA)
where:
Base-Base interactions energy: -256.085
where: short stacking energy: -143.196
Base-Backbone interact. energy: -3.152
local terms energy: -357.243139
where:
bonds (distance) C4'-P energy: -96.106
bonds (distance) P-C4' energy: -105.640
flat angles C4'-P-C4' energy: -101.880
flat angles P-C4'-P energy: -57.572
tors. eta vs tors. theta energy: 3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -468.914127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.914127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.914127 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -116.016
Base-Backbone interact. energy: -0.345
local terms energy: -319.335308
where:
bonds (distance) C4'-P energy: -104.699
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -87.736
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: 18.113
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: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1961.642756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.642756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.642756 (E_RNA)
where:
Base-Base interactions energy: -1330.842
where: short stacking energy: -584.768
Base-Backbone interact. energy: -1.235
local terms energy: -629.565995
where:
bonds (distance) C4'-P energy: -121.760
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -142.672
flat angles P-C4'-P energy: -78.853
tors. eta vs tors. theta energy: -165.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1853.840034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.840034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.840034 (E_RNA)
where:
Base-Base interactions energy: -1220.772
where: short stacking energy: -527.895
Base-Backbone interact. energy: -2.908
local terms energy: -630.160914
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -125.151
flat angles C4'-P-C4' energy: -136.436
flat angles P-C4'-P energy: -96.881
tors. eta vs tors. theta energy: -161.515
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1803.931292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.931292 (E_RNA)
where:
Base-Base interactions energy: -1229.286
where: short stacking energy: -526.023
Base-Backbone interact. energy: 1.302
local terms energy: -575.947258
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -117.008
flat angles C4'-P-C4' energy: -126.020
flat angles P-C4'-P energy: -71.735
tors. eta vs tors. theta energy: -150.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1551.247795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.247795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.247795 (E_RNA)
where:
Base-Base interactions energy: -1005.268
where: short stacking energy: -445.646
Base-Backbone interact. energy: -1.187
local terms energy: -544.793346
where:
bonds (distance) C4'-P energy: -121.372
bonds (distance) P-C4' energy: -112.017
flat angles C4'-P-C4' energy: -131.040
flat angles P-C4'-P energy: -62.686
tors. eta vs tors. theta energy: -117.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1530.445398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.445398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.445398 (E_RNA)
where:
Base-Base interactions energy: -972.388
where: short stacking energy: -430.217
Base-Backbone interact. energy: -0.446
local terms energy: -557.611549
where:
bonds (distance) C4'-P energy: -122.831
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -129.456
flat angles P-C4'-P energy: -80.952
tors. eta vs tors. theta energy: -116.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1323.684447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.684447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.684447 (E_RNA)
where:
Base-Base interactions energy: -838.690
where: short stacking energy: -363.127
Base-Backbone interact. energy: -1.637
local terms energy: -483.357261
where:
bonds (distance) C4'-P energy: -98.015
bonds (distance) P-C4' energy: -90.987
flat angles C4'-P-C4' energy: -115.799
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -99.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1103.733108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.733108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.733108 (E_RNA)
where:
Base-Base interactions energy: -661.350
where: short stacking energy: -338.990
Base-Backbone interact. energy: -1.642
local terms energy: -440.741111
where:
bonds (distance) C4'-P energy: -90.926
bonds (distance) P-C4' energy: -117.619
flat angles C4'-P-C4' energy: -104.528
flat angles P-C4'-P energy: -59.827
tors. eta vs tors. theta energy: -67.840
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: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -731.288456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.288456 (E_RNA)
where:
Base-Base interactions energy: -366.400
where: short stacking energy: -218.693
Base-Backbone interact. energy: 6.999
local terms energy: -371.888327
where:
bonds (distance) C4'-P energy: -102.754
bonds (distance) P-C4' energy: -108.207
flat angles C4'-P-C4' energy: -91.863
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -649.804567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.804567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.804567 (E_RNA)
where:
Base-Base interactions energy: -339.869
where: short stacking energy: -184.852
Base-Backbone interact. energy: -1.738
local terms energy: -308.198019
where:
bonds (distance) C4'-P energy: -83.860
bonds (distance) P-C4' energy: -92.701
flat angles C4'-P-C4' energy: -96.130
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -461.132572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.132572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.132572 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -107.322
Base-Backbone interact. energy: -0.037
local terms energy: -317.572698
where:
bonds (distance) C4'-P energy: -115.618
bonds (distance) P-C4' energy: -110.748
flat angles C4'-P-C4' energy: -71.970
flat angles P-C4'-P energy: -55.097
tors. eta vs tors. theta energy: 35.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1966.529277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.529277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.529277 (E_RNA)
where:
Base-Base interactions energy: -1347.996
where: short stacking energy: -578.691
Base-Backbone interact. energy: -1.663
local terms energy: -616.869331
where:
bonds (distance) C4'-P energy: -105.189
bonds (distance) P-C4' energy: -124.531
flat angles C4'-P-C4' energy: -130.700
flat angles P-C4'-P energy: -85.125
tors. eta vs tors. theta energy: -171.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1817.374806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.374806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.374806 (E_RNA)
where:
Base-Base interactions energy: -1194.758
where: short stacking energy: -521.500
Base-Backbone interact. energy: -1.641
local terms energy: -620.976268
where:
bonds (distance) C4'-P energy: -111.984
bonds (distance) P-C4' energy: -126.996
flat angles C4'-P-C4' energy: -131.215
flat angles P-C4'-P energy: -100.488
tors. eta vs tors. theta energy: -150.293
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: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1806.317676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.317676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.317676 (E_RNA)
where:
Base-Base interactions energy: -1209.621
where: short stacking energy: -518.256
Base-Backbone interact. energy: 0.380
local terms energy: -597.076341
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -119.963
flat angles C4'-P-C4' energy: -127.614
flat angles P-C4'-P energy: -88.607
tors. eta vs tors. theta energy: -146.082
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1607.487658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.487658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.487658 (E_RNA)
where:
Base-Base interactions energy: -1048.437
where: short stacking energy: -474.851
Base-Backbone interact. energy: 0.531
local terms energy: -559.581641
where:
bonds (distance) C4'-P energy: -115.398
bonds (distance) P-C4' energy: -104.469
flat angles C4'-P-C4' energy: -125.340
flat angles P-C4'-P energy: -88.128
tors. eta vs tors. theta energy: -126.246
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1460.472488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.472488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.472488 (E_RNA)
where:
Base-Base interactions energy: -936.266
where: short stacking energy: -426.983
Base-Backbone interact. energy: -0.979
local terms energy: -523.227097
where:
bonds (distance) C4'-P energy: -100.399
bonds (distance) P-C4' energy: -104.774
flat angles C4'-P-C4' energy: -112.805
flat angles P-C4'-P energy: -91.602
tors. eta vs tors. theta energy: -113.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1275.400942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.400942 (E_RNA)
where:
Base-Base interactions energy: -799.442
where: short stacking energy: -348.731
Base-Backbone interact. energy: -0.828
local terms energy: -475.130831
where:
bonds (distance) C4'-P energy: -111.690
bonds (distance) P-C4' energy: -108.274
flat angles C4'-P-C4' energy: -109.628
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -83.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1122.223933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.223933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.223933 (E_RNA)
where:
Base-Base interactions energy: -682.000
where: short stacking energy: -289.930
Base-Backbone interact. energy: -4.620
local terms energy: -435.603496
where:
bonds (distance) C4'-P energy: -113.254
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -88.513
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -52.355
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: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -714.335422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.335422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.335422 (E_RNA)
where:
Base-Base interactions energy: -330.518
where: short stacking energy: -180.598
Base-Backbone interact. energy: -1.239
local terms energy: -382.578321
where:
bonds (distance) C4'-P energy: -109.453
bonds (distance) P-C4' energy: -112.346
flat angles C4'-P-C4' energy: -82.230
flat angles P-C4'-P energy: -68.762
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -654.053682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.053682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.053682 (E_RNA)
where:
Base-Base interactions energy: -307.470
where: short stacking energy: -162.897
Base-Backbone interact. energy: -0.553
local terms energy: -346.030207
where:
bonds (distance) C4'-P energy: -106.902
bonds (distance) P-C4' energy: -104.957
flat angles C4'-P-C4' energy: -89.518
flat angles P-C4'-P energy: -56.947
tors. eta vs tors. theta energy: 12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -468.954200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.954200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.954200 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -106.334
Base-Backbone interact. energy: 1.873
local terms energy: -316.700936
where:
bonds (distance) C4'-P energy: -101.982
bonds (distance) P-C4' energy: -109.346
flat angles C4'-P-C4' energy: -80.710
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: 28.982
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: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1985.765949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.765949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.765949 (E_RNA)
where:
Base-Base interactions energy: -1366.112
where: short stacking energy: -574.211
Base-Backbone interact. energy: 4.469
local terms energy: -624.123105
where:
bonds (distance) C4'-P energy: -120.998
bonds (distance) P-C4' energy: -112.560
flat angles C4'-P-C4' energy: -137.510
flat angles P-C4'-P energy: -80.615
tors. eta vs tors. theta energy: -172.440
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: 74
Temperature: 0.950000
Total energy: -1847.554632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.554632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.554632 (E_RNA)
where:
Base-Base interactions energy: -1231.585
where: short stacking energy: -557.649
Base-Backbone interact. energy: -0.014
local terms energy: -615.956097
where:
bonds (distance) C4'-P energy: -119.024
bonds (distance) P-C4' energy: -114.828
flat angles C4'-P-C4' energy: -141.025
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -165.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1806.222491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.222491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.222491 (E_RNA)
where:
Base-Base interactions energy: -1191.899
where: short stacking energy: -507.755
Base-Backbone interact. energy: 2.612
local terms energy: -616.935102
where:
bonds (distance) C4'-P energy: -121.232
bonds (distance) P-C4' energy: -121.455
flat angles C4'-P-C4' energy: -131.370
flat angles P-C4'-P energy: -99.371
tors. eta vs tors. theta energy: -143.508
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: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1664.416982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.416982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.416982 (E_RNA)
where:
Base-Base interactions energy: -1107.555
where: short stacking energy: -468.987
Base-Backbone interact. energy: 0.284
local terms energy: -557.146192
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -121.798
flat angles C4'-P-C4' energy: -129.410
flat angles P-C4'-P energy: -64.992
tors. eta vs tors. theta energy: -133.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1458.471060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.471060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.471060 (E_RNA)
where:
Base-Base interactions energy: -960.091
where: short stacking energy: -413.054
Base-Backbone interact. energy: 0.246
local terms energy: -498.625997
where:
bonds (distance) C4'-P energy: -100.520
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -116.892
flat angles P-C4'-P energy: -78.167
tors. eta vs tors. theta energy: -100.038
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: 74
Temperature: 1.150000
Total energy: -1192.034400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.034400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.034400 (E_RNA)
where:
Base-Base interactions energy: -757.812
where: short stacking energy: -343.038
Base-Backbone interact. energy: -3.391
local terms energy: -430.831169
where:
bonds (distance) C4'-P energy: -99.872
bonds (distance) P-C4' energy: -107.780
flat angles C4'-P-C4' energy: -95.701
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: -65.377
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: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1126.494438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.494438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.494438 (E_RNA)
where:
Base-Base interactions energy: -708.738
where: short stacking energy: -309.725
Base-Backbone interact. energy: 4.188
local terms energy: -421.944416
where:
bonds (distance) C4'-P energy: -111.121
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -78.218
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -66.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -691.360090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.360090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.360090 (E_RNA)
where:
Base-Base interactions energy: -334.709
where: short stacking energy: -209.620
Base-Backbone interact. energy: 4.188
local terms energy: -360.838611
where:
bonds (distance) C4'-P energy: -99.136
bonds (distance) P-C4' energy: -123.731
flat angles C4'-P-C4' energy: -76.896
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -689.973796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.973796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.973796 (E_RNA)
where:
Base-Base interactions energy: -336.190
where: short stacking energy: -200.790
Base-Backbone interact. energy: 11.273
local terms energy: -365.056546
where:
bonds (distance) C4'-P energy: -94.378
bonds (distance) P-C4' energy: -104.916
flat angles C4'-P-C4' energy: -71.307
flat angles P-C4'-P energy: -64.639
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -492.461972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.461972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.461972 (E_RNA)
where:
Base-Base interactions energy: -207.236
where: short stacking energy: -156.159
Base-Backbone interact. energy: -1.900
local terms energy: -283.325858
where:
bonds (distance) C4'-P energy: -87.888
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -81.313
flat angles P-C4'-P energy: -34.263
tors. eta vs tors. theta energy: 11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1987.105352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.105352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.105352 (E_RNA)
where:
Base-Base interactions energy: -1362.548
where: short stacking energy: -562.857
Base-Backbone interact. energy: 2.170
local terms energy: -626.727145
where:
bonds (distance) C4'-P energy: -114.547
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -133.400
flat angles P-C4'-P energy: -88.726
tors. eta vs tors. theta energy: -159.948
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1851.152924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.152924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.152924 (E_RNA)
where:
Base-Base interactions energy: -1231.576
where: short stacking energy: -546.965
Base-Backbone interact. energy: -2.306
local terms energy: -617.270631
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -105.467
flat angles C4'-P-C4' energy: -131.545
flat angles P-C4'-P energy: -96.022
tors. eta vs tors. theta energy: -164.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1755.819883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.819883 (E_RNA)
where:
Base-Base interactions energy: -1164.545
where: short stacking energy: -513.037
Base-Backbone interact. energy: -5.008
local terms energy: -586.266602
where:
bonds (distance) C4'-P energy: -119.674
bonds (distance) P-C4' energy: -117.751
flat angles C4'-P-C4' energy: -125.110
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -148.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1702.909929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.909929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.909929 (E_RNA)
where:
Base-Base interactions energy: -1141.035
where: short stacking energy: -499.936
Base-Backbone interact. energy: -0.624
local terms energy: -561.251292
where:
bonds (distance) C4'-P energy: -113.370
bonds (distance) P-C4' energy: -115.262
flat angles C4'-P-C4' energy: -119.718
flat angles P-C4'-P energy: -70.259
tors. eta vs tors. theta energy: -142.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1440.827174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.827174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.827174 (E_RNA)
where:
Base-Base interactions energy: -941.248
where: short stacking energy: -409.941
Base-Backbone interact. energy: -1.009
local terms energy: -498.569594
where:
bonds (distance) C4'-P energy: -105.717
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -122.092
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -103.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1215.845946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.845946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.845946 (E_RNA)
where:
Base-Base interactions energy: -752.129
where: short stacking energy: -339.045
Base-Backbone interact. energy: 0.716
local terms energy: -464.433220
where:
bonds (distance) C4'-P energy: -94.066
bonds (distance) P-C4' energy: -120.398
flat angles C4'-P-C4' energy: -116.464
flat angles P-C4'-P energy: -64.625
tors. eta vs tors. theta energy: -68.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1114.669043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.669043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.669043 (E_RNA)
where:
Base-Base interactions energy: -701.885
where: short stacking energy: -362.021
Base-Backbone interact. energy: 0.839
local terms energy: -413.623423
where:
bonds (distance) C4'-P energy: -103.871
bonds (distance) P-C4' energy: -98.762
flat angles C4'-P-C4' energy: -82.823
flat angles P-C4'-P energy: -59.695
tors. eta vs tors. theta energy: -68.472
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: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -770.649490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.649490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.649490 (E_RNA)
where:
Base-Base interactions energy: -377.777
where: short stacking energy: -215.381
Base-Backbone interact. energy: 1.798
local terms energy: -394.670478
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -119.171
flat angles C4'-P-C4' energy: -94.241
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -633.546730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.546730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.546730 (E_RNA)
where:
Base-Base interactions energy: -304.163
where: short stacking energy: -189.339
Base-Backbone interact. energy: -1.392
local terms energy: -327.992111
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -117.635
flat angles C4'-P-C4' energy: -73.375
flat angles P-C4'-P energy: -58.304
tors. eta vs tors. theta energy: 3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -464.547287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.547287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.547287 (E_RNA)
where:
Base-Base interactions energy: -163.578
where: short stacking energy: -115.448
Base-Backbone interact. energy: 0.861
local terms energy: -301.830143
where:
bonds (distance) C4'-P energy: -105.557
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -89.392
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: 32.415
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: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1999.400590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.400590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.400590 (E_RNA)
where:
Base-Base interactions energy: -1350.703
where: short stacking energy: -563.060
Base-Backbone interact. energy: -2.520
local terms energy: -646.177982
where:
bonds (distance) C4'-P energy: -132.102
bonds (distance) P-C4' energy: -126.167
flat angles C4'-P-C4' energy: -134.948
flat angles P-C4'-P energy: -91.657
tors. eta vs tors. theta energy: -161.304
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: 76
Temperature: 0.950000
Total energy: -1843.160383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.160383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.160383 (E_RNA)
where:
Base-Base interactions energy: -1263.459
where: short stacking energy: -543.996
Base-Backbone interact. energy: -3.155
local terms energy: -576.546297
where:
bonds (distance) C4'-P energy: -106.251
bonds (distance) P-C4' energy: -108.789
flat angles C4'-P-C4' energy: -121.952
flat angles P-C4'-P energy: -86.374
tors. eta vs tors. theta energy: -153.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1798.598860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.598860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.598860 (E_RNA)
where:
Base-Base interactions energy: -1220.608
where: short stacking energy: -522.161
Base-Backbone interact. energy: -1.212
local terms energy: -576.779058
where:
bonds (distance) C4'-P energy: -104.492
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -91.597
tors. eta vs tors. theta energy: -150.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1729.344393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.344393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.344393 (E_RNA)
where:
Base-Base interactions energy: -1154.273
where: short stacking energy: -505.046
Base-Backbone interact. energy: -0.016
local terms energy: -575.055344
where:
bonds (distance) C4'-P energy: -121.410
bonds (distance) P-C4' energy: -100.225
flat angles C4'-P-C4' energy: -117.356
flat angles P-C4'-P energy: -100.515
tors. eta vs tors. theta energy: -135.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1389.476748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.476748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.476748 (E_RNA)
where:
Base-Base interactions energy: -906.239
where: short stacking energy: -381.951
Base-Backbone interact. energy: -3.031
local terms energy: -480.206790
where:
bonds (distance) C4'-P energy: -98.169
bonds (distance) P-C4' energy: -114.853
flat angles C4'-P-C4' energy: -107.247
flat angles P-C4'-P energy: -64.665
tors. eta vs tors. theta energy: -95.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1176.332552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.332552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.332552 (E_RNA)
where:
Base-Base interactions energy: -737.927
where: short stacking energy: -346.379
Base-Backbone interact. energy: 0.834
local terms energy: -439.240088
where:
bonds (distance) C4'-P energy: -105.297
bonds (distance) P-C4' energy: -102.731
flat angles C4'-P-C4' energy: -91.162
flat angles P-C4'-P energy: -65.138
tors. eta vs tors. theta energy: -74.913
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: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1176.202275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.202275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.202275 (E_RNA)
where:
Base-Base interactions energy: -764.431
where: short stacking energy: -333.449
Base-Backbone interact. energy: -2.171
local terms energy: -409.600561
where:
bonds (distance) C4'-P energy: -80.001
bonds (distance) P-C4' energy: -109.657
flat angles C4'-P-C4' energy: -93.270
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: -66.546
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: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -741.656711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.656711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.656711 (E_RNA)
where:
Base-Base interactions energy: -366.120
where: short stacking energy: -218.844
Base-Backbone interact. energy: 2.688
local terms energy: -378.225161
where:
bonds (distance) C4'-P energy: -92.096
bonds (distance) P-C4' energy: -121.115
flat angles C4'-P-C4' energy: -96.356
flat angles P-C4'-P energy: -66.408
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -625.131678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.131678 (E_RNA)
where:
Base-Base interactions energy: -283.129
where: short stacking energy: -150.091
Base-Backbone interact. energy: -0.612
local terms energy: -341.390342
where:
bonds (distance) C4'-P energy: -103.777
bonds (distance) P-C4' energy: -109.267
flat angles C4'-P-C4' energy: -102.240
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: 8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -478.756612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.756612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.756612 (E_RNA)
where:
Base-Base interactions energy: -197.794
where: short stacking energy: -140.544
Base-Backbone interact. energy: 7.615
local terms energy: -288.577552
where:
bonds (distance) C4'-P energy: -75.941
bonds (distance) P-C4' energy: -95.529
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -44.906
tors. eta vs tors. theta energy: 6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1987.101577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.101577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.101577 (E_RNA)
where:
Base-Base interactions energy: -1372.901
where: short stacking energy: -567.256
Base-Backbone interact. energy: 1.141
local terms energy: -615.342205
where:
bonds (distance) C4'-P energy: -103.097
bonds (distance) P-C4' energy: -133.486
flat angles C4'-P-C4' energy: -126.889
flat angles P-C4'-P energy: -81.857
tors. eta vs tors. theta energy: -170.013
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: 77
Temperature: 0.950000
Total energy: -1887.612215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.612215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.612215 (E_RNA)
where:
Base-Base interactions energy: -1250.564
where: short stacking energy: -536.059
Base-Backbone interact. energy: -4.560
local terms energy: -632.487938
where:
bonds (distance) C4'-P energy: -122.602
bonds (distance) P-C4' energy: -130.948
flat angles C4'-P-C4' energy: -136.535
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -157.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1759.609890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.609890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.609890 (E_RNA)
where:
Base-Base interactions energy: -1150.202
where: short stacking energy: -511.427
Base-Backbone interact. energy: -1.483
local terms energy: -607.924702
where:
bonds (distance) C4'-P energy: -132.646
bonds (distance) P-C4' energy: -116.306
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -149.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1759.318302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.318302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.318302 (E_RNA)
where:
Base-Base interactions energy: -1177.297
where: short stacking energy: -508.086
Base-Backbone interact. energy: -0.942
local terms energy: -581.079752
where:
bonds (distance) C4'-P energy: -105.857
bonds (distance) P-C4' energy: -120.276
flat angles C4'-P-C4' energy: -125.079
flat angles P-C4'-P energy: -83.456
tors. eta vs tors. theta energy: -146.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1391.147535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.147535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.147535 (E_RNA)
where:
Base-Base interactions energy: -881.687
where: short stacking energy: -392.466
Base-Backbone interact. energy: 0.243
local terms energy: -509.704250
where:
bonds (distance) C4'-P energy: -92.651
bonds (distance) P-C4' energy: -108.047
flat angles C4'-P-C4' energy: -126.805
flat angles P-C4'-P energy: -88.251
tors. eta vs tors. theta energy: -93.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1258.799361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.799361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.799361 (E_RNA)
where:
Base-Base interactions energy: -788.801
where: short stacking energy: -364.537
Base-Backbone interact. energy: 2.371
local terms energy: -472.369444
where:
bonds (distance) C4'-P energy: -96.191
bonds (distance) P-C4' energy: -113.732
flat angles C4'-P-C4' energy: -101.395
flat angles P-C4'-P energy: -77.457
tors. eta vs tors. theta energy: -83.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1115.808173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.808173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.808173 (E_RNA)
where:
Base-Base interactions energy: -682.675
where: short stacking energy: -316.590
Base-Backbone interact. energy: -0.900
local terms energy: -432.233480
where:
bonds (distance) C4'-P energy: -102.795
bonds (distance) P-C4' energy: -116.296
flat angles C4'-P-C4' energy: -90.031
flat angles P-C4'-P energy: -72.401
tors. eta vs tors. theta energy: -50.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -746.898256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.898256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.898256 (E_RNA)
where:
Base-Base interactions energy: -380.649
where: short stacking energy: -199.964
Base-Backbone interact. energy: -1.702
local terms energy: -364.547298
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -91.726
flat angles P-C4'-P energy: -39.515
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -629.874436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.874436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.874436 (E_RNA)
where:
Base-Base interactions energy: -307.876
where: short stacking energy: -151.493
Base-Backbone interact. energy: 0.107
local terms energy: -322.105448
where:
bonds (distance) C4'-P energy: -97.607
bonds (distance) P-C4' energy: -111.116
flat angles C4'-P-C4' energy: -79.856
flat angles P-C4'-P energy: -60.085
tors. eta vs tors. theta energy: 26.559
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: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -495.522263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.522263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.522263 (E_RNA)
where:
Base-Base interactions energy: -190.721
where: short stacking energy: -130.782
Base-Backbone interact. energy: 2.858
local terms energy: -307.659382
where:
bonds (distance) C4'-P energy: -94.991
bonds (distance) P-C4' energy: -106.297
flat angles C4'-P-C4' energy: -87.278
flat angles P-C4'-P energy: -40.585
tors. eta vs tors. theta energy: 21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1986.097071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.097071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.097071 (E_RNA)
where:
Base-Base interactions energy: -1347.254
where: short stacking energy: -562.002
Base-Backbone interact. energy: -2.598
local terms energy: -636.245248
where:
bonds (distance) C4'-P energy: -117.175
bonds (distance) P-C4' energy: -120.908
flat angles C4'-P-C4' energy: -143.772
flat angles P-C4'-P energy: -89.202
tors. eta vs tors. theta energy: -165.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1877.836468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.836468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.836468 (E_RNA)
where:
Base-Base interactions energy: -1237.733
where: short stacking energy: -555.220
Base-Backbone interact. energy: -1.165
local terms energy: -638.937572
where:
bonds (distance) C4'-P energy: -117.988
bonds (distance) P-C4' energy: -127.650
flat angles C4'-P-C4' energy: -136.949
flat angles P-C4'-P energy: -94.904
tors. eta vs tors. theta energy: -161.446
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: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1838.062499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.062499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.062499 (E_RNA)
where:
Base-Base interactions energy: -1233.718
where: short stacking energy: -515.180
Base-Backbone interact. energy: -4.422
local terms energy: -599.922547
where:
bonds (distance) C4'-P energy: -120.103
bonds (distance) P-C4' energy: -120.436
flat angles C4'-P-C4' energy: -130.595
flat angles P-C4'-P energy: -86.716
tors. eta vs tors. theta energy: -142.073
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1698.764723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.764723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.764723 (E_RNA)
where:
Base-Base interactions energy: -1140.864
where: short stacking energy: -474.769
Base-Backbone interact. energy: 1.314
local terms energy: -559.214007
where:
bonds (distance) C4'-P energy: -99.727
bonds (distance) P-C4' energy: -123.890
flat angles C4'-P-C4' energy: -127.312
flat angles P-C4'-P energy: -68.926
tors. eta vs tors. theta energy: -139.359
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1430.996970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.996970 (E_RNA)
where:
Base-Base interactions energy: -939.053
where: short stacking energy: -381.076
Base-Backbone interact. energy: -2.296
local terms energy: -489.647869
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -82.875
flat angles C4'-P-C4' energy: -120.225
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -108.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1272.279469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.279469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.279469 (E_RNA)
where:
Base-Base interactions energy: -761.381
where: short stacking energy: -346.334
Base-Backbone interact. energy: -1.693
local terms energy: -509.205665
where:
bonds (distance) C4'-P energy: -114.320
bonds (distance) P-C4' energy: -109.125
flat angles C4'-P-C4' energy: -123.928
flat angles P-C4'-P energy: -80.287
tors. eta vs tors. theta energy: -81.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1163.490973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.490973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.490973 (E_RNA)
where:
Base-Base interactions energy: -696.011
where: short stacking energy: -339.468
Base-Backbone interact. energy: 0.993
local terms energy: -468.472513
where:
bonds (distance) C4'-P energy: -103.857
bonds (distance) P-C4' energy: -120.623
flat angles C4'-P-C4' energy: -108.571
flat angles P-C4'-P energy: -70.650
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: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -734.084309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.084309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.084309 (E_RNA)
where:
Base-Base interactions energy: -369.095
where: short stacking energy: -214.944
Base-Backbone interact. energy: -2.271
local terms energy: -362.718419
where:
bonds (distance) C4'-P energy: -104.784
bonds (distance) P-C4' energy: -122.097
flat angles C4'-P-C4' energy: -95.666
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -610.786454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.786454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.786454 (E_RNA)
where:
Base-Base interactions energy: -292.345
where: short stacking energy: -169.135
Base-Backbone interact. energy: 7.195
local terms energy: -325.637089
where:
bonds (distance) C4'-P energy: -103.727
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -87.523
flat angles P-C4'-P energy: -49.404
tors. eta vs tors. theta energy: 11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -498.443480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.443480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.443480 (E_RNA)
where:
Base-Base interactions energy: -195.732
where: short stacking energy: -136.636
Base-Backbone interact. energy: 2.430
local terms energy: -305.141936
where:
bonds (distance) C4'-P energy: -96.231
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -93.971
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: 29.562
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: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1984.110360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.110360 (E_RNA)
where:
Base-Base interactions energy: -1353.027
where: short stacking energy: -565.645
Base-Backbone interact. energy: 3.802
local terms energy: -634.884990
where:
bonds (distance) C4'-P energy: -105.691
bonds (distance) P-C4' energy: -125.842
flat angles C4'-P-C4' energy: -137.987
flat angles P-C4'-P energy: -99.917
tors. eta vs tors. theta energy: -165.449
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1862.379059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.379059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.379059 (E_RNA)
where:
Base-Base interactions energy: -1211.628
where: short stacking energy: -533.067
Base-Backbone interact. energy: -0.993
local terms energy: -649.757762
where:
bonds (distance) C4'-P energy: -123.415
bonds (distance) P-C4' energy: -120.251
flat angles C4'-P-C4' energy: -148.227
flat angles P-C4'-P energy: -91.240
tors. eta vs tors. theta energy: -166.625
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: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1781.477612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.477612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.477612 (E_RNA)
where:
Base-Base interactions energy: -1181.730
where: short stacking energy: -474.618
Base-Backbone interact. energy: -2.913
local terms energy: -596.834549
where:
bonds (distance) C4'-P energy: -121.041
bonds (distance) P-C4' energy: -129.370
flat angles C4'-P-C4' energy: -115.511
flat angles P-C4'-P energy: -82.282
tors. eta vs tors. theta energy: -148.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1649.135045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.135045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.135045 (E_RNA)
where:
Base-Base interactions energy: -1074.394
where: short stacking energy: -480.213
Base-Backbone interact. energy: -0.955
local terms energy: -573.786860
where:
bonds (distance) C4'-P energy: -109.240
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -129.722
flat angles P-C4'-P energy: -87.956
tors. eta vs tors. theta energy: -138.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1397.714382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.714382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.714382 (E_RNA)
where:
Base-Base interactions energy: -877.391
where: short stacking energy: -414.877
Base-Backbone interact. energy: 3.181
local terms energy: -523.504180
where:
bonds (distance) C4'-P energy: -114.001
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -113.830
flat angles P-C4'-P energy: -77.078
tors. eta vs tors. theta energy: -109.645
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: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1363.997060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.997060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.997060 (E_RNA)
where:
Base-Base interactions energy: -865.351
where: short stacking energy: -364.050
Base-Backbone interact. energy: 1.803
local terms energy: -500.449652
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -102.330
flat angles C4'-P-C4' energy: -99.002
flat angles P-C4'-P energy: -87.508
tors. eta vs tors. theta energy: -88.998
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: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1090.017616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.017616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.017616 (E_RNA)
where:
Base-Base interactions energy: -637.285
where: short stacking energy: -308.694
Base-Backbone interact. energy: -4.849
local terms energy: -447.883539
where:
bonds (distance) C4'-P energy: -101.248
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -108.555
flat angles P-C4'-P energy: -61.402
tors. eta vs tors. theta energy: -69.783
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -662.445068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.445068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.445068 (E_RNA)
where:
Base-Base interactions energy: -320.594
where: short stacking energy: -214.985
Base-Backbone interact. energy: 1.977
local terms energy: -343.827522
where:
bonds (distance) C4'-P energy: -83.390
bonds (distance) P-C4' energy: -108.769
flat angles C4'-P-C4' energy: -87.337
flat angles P-C4'-P energy: -59.442
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -642.076271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.076271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.076271 (E_RNA)
where:
Base-Base interactions energy: -280.894
where: short stacking energy: -170.667
Base-Backbone interact. energy: 0.985
local terms energy: -362.166735
where:
bonds (distance) C4'-P energy: -99.769
bonds (distance) P-C4' energy: -99.507
flat angles C4'-P-C4' energy: -101.498
flat angles P-C4'-P energy: -62.238
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -471.355281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.355281 (E_RNA)
where:
Base-Base interactions energy: -185.550
where: short stacking energy: -130.522
Base-Backbone interact. energy: 9.876
local terms energy: -295.681015
where:
bonds (distance) C4'-P energy: -80.864
bonds (distance) P-C4' energy: -100.497
flat angles C4'-P-C4' energy: -91.384
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: 15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1995.393205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.393205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.393205 (E_RNA)
where:
Base-Base interactions energy: -1343.333
where: short stacking energy: -570.045
Base-Backbone interact. energy: -1.013
local terms energy: -651.047621
where:
bonds (distance) C4'-P energy: -127.915
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -130.055
flat angles P-C4'-P energy: -111.297
tors. eta vs tors. theta energy: -162.805
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: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1868.371962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.371962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.371962 (E_RNA)
where:
Base-Base interactions energy: -1221.979
where: short stacking energy: -510.893
Base-Backbone interact. energy: -0.673
local terms energy: -645.720309
where:
bonds (distance) C4'-P energy: -132.426
bonds (distance) P-C4' energy: -119.814
flat angles C4'-P-C4' energy: -135.839
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -154.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1801.468517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.468517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.468517 (E_RNA)
where:
Base-Base interactions energy: -1199.887
where: short stacking energy: -527.434
Base-Backbone interact. energy: -4.398
local terms energy: -597.183396
where:
bonds (distance) C4'-P energy: -102.441
bonds (distance) P-C4' energy: -107.305
flat angles C4'-P-C4' energy: -140.325
flat angles P-C4'-P energy: -89.285
tors. eta vs tors. theta energy: -157.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1679.025173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.025173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.025173 (E_RNA)
where:
Base-Base interactions energy: -1117.584
where: short stacking energy: -473.146
Base-Backbone interact. energy: 1.978
local terms energy: -563.418766
where:
bonds (distance) C4'-P energy: -108.691
bonds (distance) P-C4' energy: -120.456
flat angles C4'-P-C4' energy: -130.149
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -126.029
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: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1434.080396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.080396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.080396 (E_RNA)
where:
Base-Base interactions energy: -913.452
where: short stacking energy: -429.555
Base-Backbone interact. energy: -3.108
local terms energy: -517.520662
where:
bonds (distance) C4'-P energy: -109.743
bonds (distance) P-C4' energy: -108.991
flat angles C4'-P-C4' energy: -111.281
flat angles P-C4'-P energy: -78.598
tors. eta vs tors. theta energy: -108.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1339.109359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.109359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.109359 (E_RNA)
where:
Base-Base interactions energy: -867.977
where: short stacking energy: -366.267
Base-Backbone interact. energy: 2.464
local terms energy: -473.597107
where:
bonds (distance) C4'-P energy: -104.702
bonds (distance) P-C4' energy: -110.779
flat angles C4'-P-C4' energy: -121.711
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -79.028
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: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1065.436835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.436835 (E_RNA)
where:
Base-Base interactions energy: -600.515
where: short stacking energy: -284.417
Base-Backbone interact. energy: 2.044
local terms energy: -466.965639
where:
bonds (distance) C4'-P energy: -98.594
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -122.948
flat angles P-C4'-P energy: -62.719
tors. eta vs tors. theta energy: -66.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -674.457322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.457322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.457322 (E_RNA)
where:
Base-Base interactions energy: -309.322
where: short stacking energy: -186.810
Base-Backbone interact. energy: 1.986
local terms energy: -367.122175
where:
bonds (distance) C4'-P energy: -105.592
bonds (distance) P-C4' energy: -111.228
flat angles C4'-P-C4' energy: -96.663
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: 4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -605.099595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.099595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.099595 (E_RNA)
where:
Base-Base interactions energy: -264.212
where: short stacking energy: -166.917
Base-Backbone interact. energy: 0.384
local terms energy: -341.271108
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -95.158
flat angles P-C4'-P energy: -52.339
tors. eta vs tors. theta energy: 8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -495.846618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.846618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.846618 (E_RNA)
where:
Base-Base interactions energy: -191.134
where: short stacking energy: -140.263
Base-Backbone interact. energy: 2.348
local terms energy: -307.060862
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -93.365
flat angles C4'-P-C4' energy: -87.538
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: 8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2011.602086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.602086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.602086 (E_RNA)
where:
Base-Base interactions energy: -1373.310
where: short stacking energy: -537.751
Base-Backbone interact. energy: -6.836
local terms energy: -631.455404
where:
bonds (distance) C4'-P energy: -109.643
bonds (distance) P-C4' energy: -132.797
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -159.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1886.684979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.684979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.684979 (E_RNA)
where:
Base-Base interactions energy: -1266.275
where: short stacking energy: -530.833
Base-Backbone interact. energy: -2.597
local terms energy: -617.812475
where:
bonds (distance) C4'-P energy: -123.696
bonds (distance) P-C4' energy: -112.749
flat angles C4'-P-C4' energy: -134.638
flat angles P-C4'-P energy: -80.796
tors. eta vs tors. theta energy: -165.934
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: 81
Temperature: 1.000000
Total energy: -1824.385119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.385119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.385119 (E_RNA)
where:
Base-Base interactions energy: -1219.844
where: short stacking energy: -530.436
Base-Backbone interact. energy: -0.505
local terms energy: -604.036373
where:
bonds (distance) C4'-P energy: -118.955
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -137.930
flat angles P-C4'-P energy: -78.043
tors. eta vs tors. theta energy: -157.467
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1705.869806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.869806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.869806 (E_RNA)
where:
Base-Base interactions energy: -1133.759
where: short stacking energy: -457.603
Base-Backbone interact. energy: 0.639
local terms energy: -572.750550
where:
bonds (distance) C4'-P energy: -107.021
bonds (distance) P-C4' energy: -119.925
flat angles C4'-P-C4' energy: -138.065
flat angles P-C4'-P energy: -77.558
tors. eta vs tors. theta energy: -130.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1445.505929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.505929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.505929 (E_RNA)
where:
Base-Base interactions energy: -908.485
where: short stacking energy: -396.210
Base-Backbone interact. energy: -0.944
local terms energy: -536.076724
where:
bonds (distance) C4'-P energy: -99.559
bonds (distance) P-C4' energy: -114.944
flat angles C4'-P-C4' energy: -130.362
flat angles P-C4'-P energy: -81.688
tors. eta vs tors. theta energy: -109.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1366.673740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.673740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.673740 (E_RNA)
where:
Base-Base interactions energy: -876.886
where: short stacking energy: -362.759
Base-Backbone interact. energy: -4.244
local terms energy: -485.543842
where:
bonds (distance) C4'-P energy: -102.101
bonds (distance) P-C4' energy: -103.071
flat angles C4'-P-C4' energy: -108.157
flat angles P-C4'-P energy: -87.051
tors. eta vs tors. theta energy: -85.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1073.982386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.982386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.982386 (E_RNA)
where:
Base-Base interactions energy: -622.531
where: short stacking energy: -294.649
Base-Backbone interact. energy: 5.262
local terms energy: -456.713103
where:
bonds (distance) C4'-P energy: -113.159
bonds (distance) P-C4' energy: -96.079
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -68.758
tors. eta vs tors. theta energy: -59.779
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: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -666.671927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.671927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.671927 (E_RNA)
where:
Base-Base interactions energy: -289.119
where: short stacking energy: -189.762
Base-Backbone interact. energy: 1.009
local terms energy: -378.561809
where:
bonds (distance) C4'-P energy: -104.511
bonds (distance) P-C4' energy: -93.772
flat angles C4'-P-C4' energy: -98.585
flat angles P-C4'-P energy: -56.850
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -602.942673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.942673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.942673 (E_RNA)
where:
Base-Base interactions energy: -264.796
where: short stacking energy: -176.611
Base-Backbone interact. energy: -0.747
local terms energy: -337.399906
where:
bonds (distance) C4'-P energy: -100.634
bonds (distance) P-C4' energy: -109.583
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -60.554
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -461.026042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.026042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.026042 (E_RNA)
where:
Base-Base interactions energy: -146.131
where: short stacking energy: -119.348
Base-Backbone interact. energy: 1.384
local terms energy: -316.279372
where:
bonds (distance) C4'-P energy: -88.385
bonds (distance) P-C4' energy: -101.458
flat angles C4'-P-C4' energy: -90.548
flat angles P-C4'-P energy: -60.651
tors. eta vs tors. theta energy: 24.761
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: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1991.950602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.950602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.950602 (E_RNA)
where:
Base-Base interactions energy: -1341.121
where: short stacking energy: -568.755
Base-Backbone interact. energy: -0.235
local terms energy: -650.594286
where:
bonds (distance) C4'-P energy: -121.939
bonds (distance) P-C4' energy: -122.014
flat angles C4'-P-C4' energy: -138.501
flat angles P-C4'-P energy: -100.117
tors. eta vs tors. theta energy: -168.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1870.630709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.630709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.630709 (E_RNA)
where:
Base-Base interactions energy: -1253.751
where: short stacking energy: -522.135
Base-Backbone interact. energy: -1.013
local terms energy: -615.866472
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -123.159
flat angles C4'-P-C4' energy: -134.359
flat angles P-C4'-P energy: -88.479
tors. eta vs tors. theta energy: -157.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1830.266680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.266680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.266680 (E_RNA)
where:
Base-Base interactions energy: -1231.681
where: short stacking energy: -563.828
Base-Backbone interact. energy: 1.387
local terms energy: -599.973386
where:
bonds (distance) C4'-P energy: -111.951
bonds (distance) P-C4' energy: -106.197
flat angles C4'-P-C4' energy: -127.045
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -172.634
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1668.787454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.787454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.787454 (E_RNA)
where:
Base-Base interactions energy: -1086.897
where: short stacking energy: -461.222
Base-Backbone interact. energy: -0.378
local terms energy: -581.512484
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -115.378
flat angles C4'-P-C4' energy: -128.855
flat angles P-C4'-P energy: -87.220
tors. eta vs tors. theta energy: -132.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1407.251650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.251650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.251650 (E_RNA)
where:
Base-Base interactions energy: -884.726
where: short stacking energy: -426.829
Base-Backbone interact. energy: 4.827
local terms energy: -527.352856
where:
bonds (distance) C4'-P energy: -93.330
bonds (distance) P-C4' energy: -121.649
flat angles C4'-P-C4' energy: -127.858
flat angles P-C4'-P energy: -74.338
tors. eta vs tors. theta energy: -110.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1327.308262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.308262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.308262 (E_RNA)
where:
Base-Base interactions energy: -841.458
where: short stacking energy: -384.759
Base-Backbone interact. energy: -0.679
local terms energy: -485.171083
where:
bonds (distance) C4'-P energy: -96.940
bonds (distance) P-C4' energy: -116.485
flat angles C4'-P-C4' energy: -106.039
flat angles P-C4'-P energy: -71.654
tors. eta vs tors. theta energy: -94.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -972.346831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.346831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.346831 (E_RNA)
where:
Base-Base interactions energy: -563.686
where: short stacking energy: -271.326
Base-Backbone interact. energy: -0.476
local terms energy: -408.184243
where:
bonds (distance) C4'-P energy: -97.691
bonds (distance) P-C4' energy: -111.095
flat angles C4'-P-C4' energy: -98.331
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: -43.849
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -657.550455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.550455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.550455 (E_RNA)
where:
Base-Base interactions energy: -276.617
where: short stacking energy: -187.583
Base-Backbone interact. energy: 2.378
local terms energy: -383.311649
where:
bonds (distance) C4'-P energy: -94.564
bonds (distance) P-C4' energy: -113.950
flat angles C4'-P-C4' energy: -104.238
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -604.727141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.727141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.727141 (E_RNA)
where:
Base-Base interactions energy: -269.126
where: short stacking energy: -164.329
Base-Backbone interact. energy: 3.107
local terms energy: -338.707851
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -107.105
flat angles C4'-P-C4' energy: -86.326
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -476.324116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.324116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.324116 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -96.404
Base-Backbone interact. energy: 0.627
local terms energy: -352.807564
where:
bonds (distance) C4'-P energy: -120.677
bonds (distance) P-C4' energy: -127.710
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: 23.660
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: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2001.003105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.003105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.003105 (E_RNA)
where:
Base-Base interactions energy: -1356.628
where: short stacking energy: -543.485
Base-Backbone interact. energy: -0.814
local terms energy: -643.561536
where:
bonds (distance) C4'-P energy: -124.622
bonds (distance) P-C4' energy: -119.382
flat angles C4'-P-C4' energy: -132.061
flat angles P-C4'-P energy: -92.769
tors. eta vs tors. theta energy: -174.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1843.679295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.679295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.679295 (E_RNA)
where:
Base-Base interactions energy: -1237.655
where: short stacking energy: -532.861
Base-Backbone interact. energy: -0.060
local terms energy: -605.964128
where:
bonds (distance) C4'-P energy: -112.992
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -134.176
flat angles P-C4'-P energy: -87.728
tors. eta vs tors. theta energy: -164.765
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: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1832.885932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.885932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.885932 (E_RNA)
where:
Base-Base interactions energy: -1231.103
where: short stacking energy: -509.805
Base-Backbone interact. energy: 1.249
local terms energy: -603.031484
where:
bonds (distance) C4'-P energy: -115.364
bonds (distance) P-C4' energy: -119.494
flat angles C4'-P-C4' energy: -126.364
flat angles P-C4'-P energy: -84.919
tors. eta vs tors. theta energy: -156.891
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: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1633.168722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.168722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.168722 (E_RNA)
where:
Base-Base interactions energy: -1060.829
where: short stacking energy: -478.856
Base-Backbone interact. energy: -3.243
local terms energy: -569.096725
where:
bonds (distance) C4'-P energy: -116.108
bonds (distance) P-C4' energy: -105.904
flat angles C4'-P-C4' energy: -138.707
flat angles P-C4'-P energy: -81.204
tors. eta vs tors. theta energy: -127.173
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: 83
Temperature: 1.100000
Total energy: -1434.209154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.209154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.209154 (E_RNA)
where:
Base-Base interactions energy: -910.465
where: short stacking energy: -388.889
Base-Backbone interact. energy: -0.213
local terms energy: -523.531015
where:
bonds (distance) C4'-P energy: -111.212
bonds (distance) P-C4' energy: -113.937
flat angles C4'-P-C4' energy: -115.666
flat angles P-C4'-P energy: -79.240
tors. eta vs tors. theta energy: -103.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1392.868551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.868551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.868551 (E_RNA)
where:
Base-Base interactions energy: -902.131
where: short stacking energy: -411.474
Base-Backbone interact. energy: -0.238
local terms energy: -490.499670
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -108.669
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -71.844
tors. eta vs tors. theta energy: -104.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -923.262816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.262816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.262816 (E_RNA)
where:
Base-Base interactions energy: -519.028
where: short stacking energy: -257.328
Base-Backbone interact. energy: 0.616
local terms energy: -404.850719
where:
bonds (distance) C4'-P energy: -94.423
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -106.919
flat angles P-C4'-P energy: -53.421
tors. eta vs tors. theta energy: -37.945
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: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -643.336355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.336355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.336355 (E_RNA)
where:
Base-Base interactions energy: -275.367
where: short stacking energy: -171.927
Base-Backbone interact. energy: -3.053
local terms energy: -364.916610
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -122.638
flat angles C4'-P-C4' energy: -100.196
flat angles P-C4'-P energy: -66.094
tors. eta vs tors. theta energy: 8.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -612.254855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.254855 (E_RNA)
where:
Base-Base interactions energy: -255.643
where: short stacking energy: -159.730
Base-Backbone interact. energy: 4.012
local terms energy: -360.623756
where:
bonds (distance) C4'-P energy: -112.519
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -101.559
flat angles P-C4'-P energy: -53.718
tors. eta vs tors. theta energy: 6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -479.692569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.692569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.692569 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -115.873
Base-Backbone interact. energy: 1.414
local terms energy: -329.271745
where:
bonds (distance) C4'-P energy: -96.737
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -101.204
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: 15.515
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: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2005.744959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.744959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.744959 (E_RNA)
where:
Base-Base interactions energy: -1356.735
where: short stacking energy: -559.666
Base-Backbone interact. energy: 0.849
local terms energy: -649.858905
where:
bonds (distance) C4'-P energy: -117.646
bonds (distance) P-C4' energy: -126.459
flat angles C4'-P-C4' energy: -132.659
flat angles P-C4'-P energy: -97.518
tors. eta vs tors. theta energy: -175.577
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1846.928065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.928065 (E_RNA)
where:
Base-Base interactions energy: -1233.986
where: short stacking energy: -554.362
Base-Backbone interact. energy: -1.555
local terms energy: -611.387461
where:
bonds (distance) C4'-P energy: -122.080
bonds (distance) P-C4' energy: -114.247
flat angles C4'-P-C4' energy: -130.816
flat angles P-C4'-P energy: -81.806
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: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1814.918737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.918737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.918737 (E_RNA)
where:
Base-Base interactions energy: -1228.733
where: short stacking energy: -521.758
Base-Backbone interact. energy: -1.446
local terms energy: -584.739883
where:
bonds (distance) C4'-P energy: -106.295
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -135.606
flat angles P-C4'-P energy: -73.993
tors. eta vs tors. theta energy: -157.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1701.601636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.601636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.601636 (E_RNA)
where:
Base-Base interactions energy: -1127.852
where: short stacking energy: -502.029
Base-Backbone interact. energy: -0.769
local terms energy: -572.981037
where:
bonds (distance) C4'-P energy: -104.396
bonds (distance) P-C4' energy: -127.369
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -83.622
tors. eta vs tors. theta energy: -141.441
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1455.581363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.581363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.581363 (E_RNA)
where:
Base-Base interactions energy: -949.548
where: short stacking energy: -400.537
Base-Backbone interact. energy: -2.795
local terms energy: -503.238258
where:
bonds (distance) C4'-P energy: -109.464
bonds (distance) P-C4' energy: -100.352
flat angles C4'-P-C4' energy: -105.270
flat angles P-C4'-P energy: -79.420
tors. eta vs tors. theta energy: -108.732
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: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1362.893999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.893999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.893999 (E_RNA)
where:
Base-Base interactions energy: -836.831
where: short stacking energy: -386.385
Base-Backbone interact. energy: -2.417
local terms energy: -523.645586
where:
bonds (distance) C4'-P energy: -113.483
bonds (distance) P-C4' energy: -121.794
flat angles C4'-P-C4' energy: -121.917
flat angles P-C4'-P energy: -67.846
tors. eta vs tors. theta energy: -98.606
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: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -873.306760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.306760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.306760 (E_RNA)
where:
Base-Base interactions energy: -455.914
where: short stacking energy: -242.483
Base-Backbone interact. energy: -1.661
local terms energy: -415.731728
where:
bonds (distance) C4'-P energy: -101.169
bonds (distance) P-C4' energy: -99.444
flat angles C4'-P-C4' energy: -102.287
flat angles P-C4'-P energy: -75.968
tors. eta vs tors. theta energy: -36.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -721.974345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.974345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.974345 (E_RNA)
where:
Base-Base interactions energy: -340.247
where: short stacking energy: -193.704
Base-Backbone interact. energy: -0.557
local terms energy: -381.170856
where:
bonds (distance) C4'-P energy: -92.472
bonds (distance) P-C4' energy: -99.719
flat angles C4'-P-C4' energy: -115.251
flat angles P-C4'-P energy: -69.009
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -623.195029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.195029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.195029 (E_RNA)
where:
Base-Base interactions energy: -304.124
where: short stacking energy: -176.211
Base-Backbone interact. energy: -2.144
local terms energy: -316.926423
where:
bonds (distance) C4'-P energy: -79.578
bonds (distance) P-C4' energy: -86.865
flat angles C4'-P-C4' energy: -85.517
flat angles P-C4'-P energy: -60.268
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -482.161184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.161184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.161184 (E_RNA)
where:
Base-Base interactions energy: -161.648
where: short stacking energy: -125.198
Base-Backbone interact. energy: -0.351
local terms energy: -320.161897
where:
bonds (distance) C4'-P energy: -110.160
bonds (distance) P-C4' energy: -105.266
flat angles C4'-P-C4' energy: -92.938
flat angles P-C4'-P energy: -45.403
tors. eta vs tors. theta energy: 33.605
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: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2002.167510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.167510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.167510 (E_RNA)
where:
Base-Base interactions energy: -1358.550
where: short stacking energy: -563.020
Base-Backbone interact. energy: -3.467
local terms energy: -640.151352
where:
bonds (distance) C4'-P energy: -121.945
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -137.660
flat angles P-C4'-P energy: -84.463
tors. eta vs tors. theta energy: -171.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1909.249920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.249920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.249920 (E_RNA)
where:
Base-Base interactions energy: -1280.695
where: short stacking energy: -532.097
Base-Backbone interact. energy: -2.359
local terms energy: -626.196306
where:
bonds (distance) C4'-P energy: -122.478
bonds (distance) P-C4' energy: -115.554
flat angles C4'-P-C4' energy: -132.434
flat angles P-C4'-P energy: -95.324
tors. eta vs tors. theta energy: -160.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1831.424217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.424217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.424217 (E_RNA)
where:
Base-Base interactions energy: -1226.261
where: short stacking energy: -528.601
Base-Backbone interact. energy: -1.471
local terms energy: -603.691986
where:
bonds (distance) C4'-P energy: -108.033
bonds (distance) P-C4' energy: -122.792
flat angles C4'-P-C4' energy: -131.070
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -164.369
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1754.369876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.369876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.369876 (E_RNA)
where:
Base-Base interactions energy: -1179.040
where: short stacking energy: -502.427
Base-Backbone interact. energy: -0.749
local terms energy: -574.581753
where:
bonds (distance) C4'-P energy: -93.077
bonds (distance) P-C4' energy: -113.495
flat angles C4'-P-C4' energy: -131.292
flat angles P-C4'-P energy: -80.706
tors. eta vs tors. theta energy: -156.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1425.382837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.382837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.382837 (E_RNA)
where:
Base-Base interactions energy: -928.135
where: short stacking energy: -398.024
Base-Backbone interact. energy: -0.957
local terms energy: -496.290230
where:
bonds (distance) C4'-P energy: -101.732
bonds (distance) P-C4' energy: -106.327
flat angles C4'-P-C4' energy: -117.190
flat angles P-C4'-P energy: -76.764
tors. eta vs tors. theta energy: -94.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1384.834145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.834145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.834145 (E_RNA)
where:
Base-Base interactions energy: -902.183
where: short stacking energy: -379.436
Base-Backbone interact. energy: -2.128
local terms energy: -480.522926
where:
bonds (distance) C4'-P energy: -94.648
bonds (distance) P-C4' energy: -110.183
flat angles C4'-P-C4' energy: -122.470
flat angles P-C4'-P energy: -71.713
tors. eta vs tors. theta energy: -81.509
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: 85
Temperature: 1.200000
Total energy: -978.257137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.257137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.257137 (E_RNA)
where:
Base-Base interactions energy: -544.958
where: short stacking energy: -273.648
Base-Backbone interact. energy: 3.594
local terms energy: -436.893251
where:
bonds (distance) C4'-P energy: -103.779
bonds (distance) P-C4' energy: -108.826
flat angles C4'-P-C4' energy: -97.803
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -53.757
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: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -733.522355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.522355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.522355 (E_RNA)
where:
Base-Base interactions energy: -379.708
where: short stacking energy: -222.775
Base-Backbone interact. energy: -1.975
local terms energy: -351.839453
where:
bonds (distance) C4'-P energy: -91.128
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -83.455
flat angles P-C4'-P energy: -56.998
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -634.865454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.865454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.865454 (E_RNA)
where:
Base-Base interactions energy: -305.448
where: short stacking energy: -177.530
Base-Backbone interact. energy: -2.303
local terms energy: -327.114047
where:
bonds (distance) C4'-P energy: -107.204
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -77.845
flat angles P-C4'-P energy: -51.291
tors. eta vs tors. theta energy: 13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -458.830962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.830962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.830962 (E_RNA)
where:
Base-Base interactions energy: -153.688
where: short stacking energy: -133.176
Base-Backbone interact. energy: -2.376
local terms energy: -302.766753
where:
bonds (distance) C4'-P energy: -87.546
bonds (distance) P-C4' energy: -93.046
flat angles C4'-P-C4' energy: -75.913
flat angles P-C4'-P energy: -54.334
tors. eta vs tors. theta energy: 8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2044.287334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.287334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.287334 (E_RNA)
where:
Base-Base interactions energy: -1400.832
where: short stacking energy: -563.873
Base-Backbone interact. energy: 0.382
local terms energy: -643.837571
where:
bonds (distance) C4'-P energy: -119.687
bonds (distance) P-C4' energy: -120.158
flat angles C4'-P-C4' energy: -136.212
flat angles P-C4'-P energy: -89.873
tors. eta vs tors. theta energy: -177.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1919.025796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.025796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.025796 (E_RNA)
where:
Base-Base interactions energy: -1282.185
where: short stacking energy: -541.074
Base-Backbone interact. energy: -0.727
local terms energy: -636.113605
where:
bonds (distance) C4'-P energy: -135.733
bonds (distance) P-C4' energy: -121.536
flat angles C4'-P-C4' energy: -129.799
flat angles P-C4'-P energy: -93.729
tors. eta vs tors. theta energy: -155.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1836.125915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.125915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.125915 (E_RNA)
where:
Base-Base interactions energy: -1214.142
where: short stacking energy: -523.412
Base-Backbone interact. energy: -2.002
local terms energy: -619.982540
where:
bonds (distance) C4'-P energy: -120.007
bonds (distance) P-C4' energy: -122.400
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -85.831
tors. eta vs tors. theta energy: -162.532
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: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1748.629386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.629386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.629386 (E_RNA)
where:
Base-Base interactions energy: -1190.828
where: short stacking energy: -508.906
Base-Backbone interact. energy: -2.266
local terms energy: -555.535410
where:
bonds (distance) C4'-P energy: -102.967
bonds (distance) P-C4' energy: -113.143
flat angles C4'-P-C4' energy: -119.999
flat angles P-C4'-P energy: -80.428
tors. eta vs tors. theta energy: -138.999
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1477.036519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.036519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.036519 (E_RNA)
where:
Base-Base interactions energy: -952.436
where: short stacking energy: -435.713
Base-Backbone interact. energy: 2.458
local terms energy: -527.057728
where:
bonds (distance) C4'-P energy: -103.449
bonds (distance) P-C4' energy: -113.192
flat angles C4'-P-C4' energy: -119.887
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -113.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1399.876056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.876056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.876056 (E_RNA)
where:
Base-Base interactions energy: -903.336
where: short stacking energy: -391.881
Base-Backbone interact. energy: 2.665
local terms energy: -499.204952
where:
bonds (distance) C4'-P energy: -121.196
bonds (distance) P-C4' energy: -91.112
flat angles C4'-P-C4' energy: -110.983
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -104.983
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: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1005.114134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.114134 (E_RNA)
where:
Base-Base interactions energy: -582.198
where: short stacking energy: -275.742
Base-Backbone interact. energy: 0.882
local terms energy: -423.798025
where:
bonds (distance) C4'-P energy: -108.965
bonds (distance) P-C4' energy: -108.944
flat angles C4'-P-C4' energy: -108.719
flat angles P-C4'-P energy: -49.508
tors. eta vs tors. theta energy: -47.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -756.621942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.621942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.621942 (E_RNA)
where:
Base-Base interactions energy: -404.697
where: short stacking energy: -214.760
Base-Backbone interact. energy: -1.731
local terms energy: -350.193611
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -86.452
flat angles C4'-P-C4' energy: -96.871
flat angles P-C4'-P energy: -67.120
tors. eta vs tors. theta energy: 3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -622.750846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.750846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.750846 (E_RNA)
where:
Base-Base interactions energy: -301.785
where: short stacking energy: -191.581
Base-Backbone interact. energy: 0.469
local terms energy: -321.435083
where:
bonds (distance) C4'-P energy: -99.373
bonds (distance) P-C4' energy: -91.346
flat angles C4'-P-C4' energy: -94.264
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -467.318445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.318445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.318445 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -102.616
Base-Backbone interact. energy: 4.144
local terms energy: -319.639380
where:
bonds (distance) C4'-P energy: -117.186
bonds (distance) P-C4' energy: -79.938
flat angles C4'-P-C4' energy: -80.274
flat angles P-C4'-P energy: -61.933
tors. eta vs tors. theta energy: 19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2026.732548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.732548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.732548 (E_RNA)
where:
Base-Base interactions energy: -1373.614
where: short stacking energy: -567.978
Base-Backbone interact. energy: 0.436
local terms energy: -653.555032
where:
bonds (distance) C4'-P energy: -121.881
bonds (distance) P-C4' energy: -112.568
flat angles C4'-P-C4' energy: -142.001
flat angles P-C4'-P energy: -93.882
tors. eta vs tors. theta energy: -183.223
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: 87
Temperature: 0.950000
Total energy: -1876.920908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.920908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.920908 (E_RNA)
where:
Base-Base interactions energy: -1277.086
where: short stacking energy: -563.296
Base-Backbone interact. energy: 1.577
local terms energy: -601.412082
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -111.490
flat angles C4'-P-C4' energy: -129.865
flat angles P-C4'-P energy: -97.559
tors. eta vs tors. theta energy: -147.525
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: 87
Temperature: 1.000000
Total energy: -1790.016342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.016342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.016342 (E_RNA)
where:
Base-Base interactions energy: -1204.379
where: short stacking energy: -523.125
Base-Backbone interact. energy: -2.172
local terms energy: -583.464802
where:
bonds (distance) C4'-P energy: -123.653
bonds (distance) P-C4' energy: -111.767
flat angles C4'-P-C4' energy: -115.147
flat angles P-C4'-P energy: -85.821
tors. eta vs tors. theta energy: -147.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1675.519536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.519536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.519536 (E_RNA)
where:
Base-Base interactions energy: -1110.611
where: short stacking energy: -480.141
Base-Backbone interact. energy: -1.417
local terms energy: -563.492098
where:
bonds (distance) C4'-P energy: -115.170
bonds (distance) P-C4' energy: -105.821
flat angles C4'-P-C4' energy: -125.289
flat angles P-C4'-P energy: -76.514
tors. eta vs tors. theta energy: -140.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1499.327149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.327149 (E_RNA)
where:
Base-Base interactions energy: -973.521
where: short stacking energy: -418.651
Base-Backbone interact. energy: -1.487
local terms energy: -524.319239
where:
bonds (distance) C4'-P energy: -117.135
bonds (distance) P-C4' energy: -102.433
flat angles C4'-P-C4' energy: -127.674
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -103.433
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: 87
Temperature: 1.150000
Total energy: -1438.062696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.062696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.062696 (E_RNA)
where:
Base-Base interactions energy: -926.643
where: short stacking energy: -409.558
Base-Backbone interact. energy: 1.550
local terms energy: -512.969130
where:
bonds (distance) C4'-P energy: -110.418
bonds (distance) P-C4' energy: -112.680
flat angles C4'-P-C4' energy: -125.051
flat angles P-C4'-P energy: -57.371
tors. eta vs tors. theta energy: -107.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1032.055639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.055639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.055639 (E_RNA)
where:
Base-Base interactions energy: -602.870
where: short stacking energy: -306.254
Base-Backbone interact. energy: 2.365
local terms energy: -431.550466
where:
bonds (distance) C4'-P energy: -106.778
bonds (distance) P-C4' energy: -97.326
flat angles C4'-P-C4' energy: -111.098
flat angles P-C4'-P energy: -55.516
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -777.247292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.247292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.247292 (E_RNA)
where:
Base-Base interactions energy: -425.172
where: short stacking energy: -202.442
Base-Backbone interact. energy: 0.742
local terms energy: -352.816933
where:
bonds (distance) C4'-P energy: -84.869
bonds (distance) P-C4' energy: -113.860
flat angles C4'-P-C4' energy: -84.765
flat angles P-C4'-P energy: -62.259
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -627.550696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.550696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.550696 (E_RNA)
where:
Base-Base interactions energy: -304.810
where: short stacking energy: -190.190
Base-Backbone interact. energy: 3.312
local terms energy: -326.053002
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -95.425
flat angles C4'-P-C4' energy: -95.944
flat angles P-C4'-P energy: -54.463
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -452.991791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.991791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.991791 (E_RNA)
where:
Base-Base interactions energy: -143.916
where: short stacking energy: -121.011
Base-Backbone interact. energy: 0.127
local terms energy: -309.202832
where:
bonds (distance) C4'-P energy: -99.272
bonds (distance) P-C4' energy: -103.318
flat angles C4'-P-C4' energy: -91.066
flat angles P-C4'-P energy: -51.397
tors. eta vs tors. theta energy: 35.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2026.325505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.325505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.325505 (E_RNA)
where:
Base-Base interactions energy: -1386.360
where: short stacking energy: -565.549
Base-Backbone interact. energy: -0.749
local terms energy: -639.217102
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -122.228
flat angles C4'-P-C4' energy: -136.033
flat angles P-C4'-P energy: -91.937
tors. eta vs tors. theta energy: -172.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1910.178618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.178618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.178618 (E_RNA)
where:
Base-Base interactions energy: -1287.050
where: short stacking energy: -575.473
Base-Backbone interact. energy: -1.381
local terms energy: -621.747543
where:
bonds (distance) C4'-P energy: -116.774
bonds (distance) P-C4' energy: -111.939
flat angles C4'-P-C4' energy: -135.144
flat angles P-C4'-P energy: -82.526
tors. eta vs tors. theta energy: -175.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1796.606483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.606483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.606483 (E_RNA)
where:
Base-Base interactions energy: -1177.743
where: short stacking energy: -514.286
Base-Backbone interact. energy: 0.681
local terms energy: -619.544728
where:
bonds (distance) C4'-P energy: -126.173
bonds (distance) P-C4' energy: -125.637
flat angles C4'-P-C4' energy: -132.057
flat angles P-C4'-P energy: -80.315
tors. eta vs tors. theta energy: -155.363
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: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1699.927380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.927380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.927380 (E_RNA)
where:
Base-Base interactions energy: -1140.816
where: short stacking energy: -470.933
Base-Backbone interact. energy: -2.119
local terms energy: -556.993069
where:
bonds (distance) C4'-P energy: -98.303
bonds (distance) P-C4' energy: -115.059
flat angles C4'-P-C4' energy: -126.006
flat angles P-C4'-P energy: -77.772
tors. eta vs tors. theta energy: -139.852
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: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1532.128315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.128315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.128315 (E_RNA)
where:
Base-Base interactions energy: -976.923
where: short stacking energy: -431.437
Base-Backbone interact. energy: -2.173
local terms energy: -553.032342
where:
bonds (distance) C4'-P energy: -102.435
bonds (distance) P-C4' energy: -115.557
flat angles C4'-P-C4' energy: -123.647
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -131.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1407.827507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.827507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.827507 (E_RNA)
where:
Base-Base interactions energy: -926.835
where: short stacking energy: -411.886
Base-Backbone interact. energy: 2.169
local terms energy: -483.161527
where:
bonds (distance) C4'-P energy: -97.777
bonds (distance) P-C4' energy: -96.483
flat angles C4'-P-C4' energy: -110.318
flat angles P-C4'-P energy: -74.410
tors. eta vs tors. theta energy: -104.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1063.492332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.492332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.492332 (E_RNA)
where:
Base-Base interactions energy: -645.717
where: short stacking energy: -313.567
Base-Backbone interact. energy: 0.781
local terms energy: -418.555602
where:
bonds (distance) C4'-P energy: -91.045
bonds (distance) P-C4' energy: -99.049
flat angles C4'-P-C4' energy: -93.907
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -73.917
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -767.917899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.917899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.917899 (E_RNA)
where:
Base-Base interactions energy: -399.383
where: short stacking energy: -197.209
Base-Backbone interact. energy: -3.599
local terms energy: -364.936431
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -99.694
flat angles C4'-P-C4' energy: -95.267
flat angles P-C4'-P energy: -69.275
tors. eta vs tors. theta energy: -8.266
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: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -647.220321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.220321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.220321 (E_RNA)
where:
Base-Base interactions energy: -320.236
where: short stacking energy: -211.276
Base-Backbone interact. energy: -0.166
local terms energy: -326.818756
where:
bonds (distance) C4'-P energy: -83.839
bonds (distance) P-C4' energy: -102.790
flat angles C4'-P-C4' energy: -90.018
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -485.612924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.612924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.612924 (E_RNA)
where:
Base-Base interactions energy: -170.586
where: short stacking energy: -111.517
Base-Backbone interact. energy: -0.202
local terms energy: -314.824870
where:
bonds (distance) C4'-P energy: -98.541
bonds (distance) P-C4' energy: -119.677
flat angles C4'-P-C4' energy: -80.157
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: 21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2030.615076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.615076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.615076 (E_RNA)
where:
Base-Base interactions energy: -1383.232
where: short stacking energy: -583.839
Base-Backbone interact. energy: -4.288
local terms energy: -643.094273
where:
bonds (distance) C4'-P energy: -123.695
bonds (distance) P-C4' energy: -122.170
flat angles C4'-P-C4' energy: -135.822
flat angles P-C4'-P energy: -82.927
tors. eta vs tors. theta energy: -178.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1915.568015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.568015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.568015 (E_RNA)
where:
Base-Base interactions energy: -1306.309
where: short stacking energy: -550.286
Base-Backbone interact. energy: -2.497
local terms energy: -606.762015
where:
bonds (distance) C4'-P energy: -106.931
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -134.949
flat angles P-C4'-P energy: -89.144
tors. eta vs tors. theta energy: -156.255
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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1816.291650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.291650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.291650 (E_RNA)
where:
Base-Base interactions energy: -1214.721
where: short stacking energy: -496.642
Base-Backbone interact. energy: -0.565
local terms energy: -601.005323
where:
bonds (distance) C4'-P energy: -118.650
bonds (distance) P-C4' energy: -119.244
flat angles C4'-P-C4' energy: -135.462
flat angles P-C4'-P energy: -71.656
tors. eta vs tors. theta energy: -155.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1753.443775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.443775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.443775 (E_RNA)
where:
Base-Base interactions energy: -1158.582
where: short stacking energy: -513.867
Base-Backbone interact. energy: -0.975
local terms energy: -593.886629
where:
bonds (distance) C4'-P energy: -106.308
bonds (distance) P-C4' energy: -124.479
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -96.679
tors. eta vs tors. theta energy: -153.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1457.676427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.676427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.676427 (E_RNA)
where:
Base-Base interactions energy: -933.134
where: short stacking energy: -436.238
Base-Backbone interact. energy: 0.417
local terms energy: -524.959691
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -107.446
flat angles C4'-P-C4' energy: -106.785
flat angles P-C4'-P energy: -80.032
tors. eta vs tors. theta energy: -116.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1430.115840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.115840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.115840 (E_RNA)
where:
Base-Base interactions energy: -935.063
where: short stacking energy: -391.515
Base-Backbone interact. energy: 5.789
local terms energy: -500.841293
where:
bonds (distance) C4'-P energy: -112.615
bonds (distance) P-C4' energy: -99.407
flat angles C4'-P-C4' energy: -121.484
flat angles P-C4'-P energy: -67.584
tors. eta vs tors. theta energy: -99.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1052.119488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.119488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.119488 (E_RNA)
where:
Base-Base interactions energy: -610.672
where: short stacking energy: -289.862
Base-Backbone interact. energy: -1.178
local terms energy: -440.270282
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -113.595
flat angles C4'-P-C4' energy: -108.985
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -53.042
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: 89
Temperature: 1.250000
Total energy: -773.934482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.934482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.934482 (E_RNA)
where:
Base-Base interactions energy: -395.788
where: short stacking energy: -231.693
Base-Backbone interact. energy: -2.467
local terms energy: -375.679717
where:
bonds (distance) C4'-P energy: -97.031
bonds (distance) P-C4' energy: -101.764
flat angles C4'-P-C4' energy: -83.537
flat angles P-C4'-P energy: -73.585
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -623.127853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.127853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.127853 (E_RNA)
where:
Base-Base interactions energy: -293.742
where: short stacking energy: -173.982
Base-Backbone interact. energy: -3.736
local terms energy: -325.650134
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -107.545
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -466.233515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.233515 (E_RNA)
where:
Base-Base interactions energy: -167.706
where: short stacking energy: -120.608
Base-Backbone interact. energy: 0.246
local terms energy: -298.773389
where:
bonds (distance) C4'-P energy: -90.654
bonds (distance) P-C4' energy: -111.578
flat angles C4'-P-C4' energy: -68.682
flat angles P-C4'-P energy: -55.992
tors. eta vs tors. theta energy: 28.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2061.449447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.449447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.449447 (E_RNA)
where:
Base-Base interactions energy: -1398.316
where: short stacking energy: -585.691
Base-Backbone interact. energy: -4.651
local terms energy: -658.482770
where:
bonds (distance) C4'-P energy: -124.120
bonds (distance) P-C4' energy: -127.085
flat angles C4'-P-C4' energy: -140.294
flat angles P-C4'-P energy: -86.883
tors. eta vs tors. theta energy: -180.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1930.029057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.029057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.029057 (E_RNA)
where:
Base-Base interactions energy: -1319.868
where: short stacking energy: -538.952
Base-Backbone interact. energy: -3.424
local terms energy: -606.737827
where:
bonds (distance) C4'-P energy: -111.933
bonds (distance) P-C4' energy: -113.880
flat angles C4'-P-C4' energy: -141.272
flat angles P-C4'-P energy: -86.308
tors. eta vs tors. theta energy: -153.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1797.207014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.207014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.207014 (E_RNA)
where:
Base-Base interactions energy: -1174.336
where: short stacking energy: -501.142
Base-Backbone interact. energy: -4.060
local terms energy: -618.810739
where:
bonds (distance) C4'-P energy: -120.402
bonds (distance) P-C4' energy: -111.630
flat angles C4'-P-C4' energy: -138.399
flat angles P-C4'-P energy: -92.776
tors. eta vs tors. theta energy: -155.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1758.747872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.747872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.747872 (E_RNA)
where:
Base-Base interactions energy: -1191.580
where: short stacking energy: -509.560
Base-Backbone interact. energy: -0.182
local terms energy: -566.986174
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -105.106
flat angles C4'-P-C4' energy: -130.864
flat angles P-C4'-P energy: -92.615
tors. eta vs tors. theta energy: -139.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1560.966829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.966829 (E_RNA)
where:
Base-Base interactions energy: -1006.022
where: short stacking energy: -473.085
Base-Backbone interact. energy: 0.132
local terms energy: -555.077532
where:
bonds (distance) C4'-P energy: -112.778
bonds (distance) P-C4' energy: -114.308
flat angles C4'-P-C4' energy: -125.652
flat angles P-C4'-P energy: -80.728
tors. eta vs tors. theta energy: -121.611
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1402.675415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.675415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.675415 (E_RNA)
where:
Base-Base interactions energy: -880.660
where: short stacking energy: -376.527
Base-Backbone interact. energy: 0.225
local terms energy: -522.241178
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -109.072
flat angles C4'-P-C4' energy: -117.677
flat angles P-C4'-P energy: -82.146
tors. eta vs tors. theta energy: -96.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -992.226768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.226768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.226768 (E_RNA)
where:
Base-Base interactions energy: -582.301
where: short stacking energy: -303.217
Base-Backbone interact. energy: -3.249
local terms energy: -406.677169
where:
bonds (distance) C4'-P energy: -90.386
bonds (distance) P-C4' energy: -101.631
flat angles C4'-P-C4' energy: -107.263
flat angles P-C4'-P energy: -62.591
tors. eta vs tors. theta energy: -44.806
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: 90
Temperature: 1.250000
Total energy: -734.108590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.108590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.108590 (E_RNA)
where:
Base-Base interactions energy: -371.512
where: short stacking energy: -216.060
Base-Backbone interact. energy: -0.596
local terms energy: -362.001367
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -110.127
flat angles C4'-P-C4' energy: -95.515
flat angles P-C4'-P energy: -38.867
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -630.302440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.302440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.302440 (E_RNA)
where:
Base-Base interactions energy: -265.191
where: short stacking energy: -168.455
Base-Backbone interact. energy: -1.711
local terms energy: -363.400347
where:
bonds (distance) C4'-P energy: -115.002
bonds (distance) P-C4' energy: -95.356
flat angles C4'-P-C4' energy: -103.270
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -466.137955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.137955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.137955 (E_RNA)
where:
Base-Base interactions energy: -155.722
where: short stacking energy: -98.930
Base-Backbone interact. energy: -0.611
local terms energy: -309.805014
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -112.000
flat angles C4'-P-C4' energy: -88.694
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: 38.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2063.823287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.823287 (E_RNA)
where:
Base-Base interactions energy: -1390.522
where: short stacking energy: -580.287
Base-Backbone interact. energy: -2.780
local terms energy: -670.521139
where:
bonds (distance) C4'-P energy: -130.992
bonds (distance) P-C4' energy: -117.999
flat angles C4'-P-C4' energy: -155.560
flat angles P-C4'-P energy: -93.206
tors. eta vs tors. theta energy: -172.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1947.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.324314 (E_RNA)
where:
Base-Base interactions energy: -1331.235
where: short stacking energy: -572.365
Base-Backbone interact. energy: -3.708
local terms energy: -612.381842
where:
bonds (distance) C4'-P energy: -105.471
bonds (distance) P-C4' energy: -119.473
flat angles C4'-P-C4' energy: -142.589
flat angles P-C4'-P energy: -86.873
tors. eta vs tors. theta energy: -157.975
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: 91
Temperature: 1.000000
Total energy: -1751.789343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.789343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.789343 (E_RNA)
where:
Base-Base interactions energy: -1159.751
where: short stacking energy: -503.510
Base-Backbone interact. energy: -4.958
local terms energy: -587.080638
where:
bonds (distance) C4'-P energy: -104.106
bonds (distance) P-C4' energy: -122.745
flat angles C4'-P-C4' energy: -121.836
flat angles P-C4'-P energy: -85.121
tors. eta vs tors. theta energy: -153.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1762.008442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.008442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.008442 (E_RNA)
where:
Base-Base interactions energy: -1153.920
where: short stacking energy: -516.662
Base-Backbone interact. energy: -0.286
local terms energy: -607.802316
where:
bonds (distance) C4'-P energy: -115.252
bonds (distance) P-C4' energy: -114.958
flat angles C4'-P-C4' energy: -135.475
flat angles P-C4'-P energy: -82.544
tors. eta vs tors. theta energy: -159.574
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: 91
Temperature: 1.100000
Total energy: -1503.081391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.081391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.081391 (E_RNA)
where:
Base-Base interactions energy: -956.289
where: short stacking energy: -431.761
Base-Backbone interact. energy: -0.065
local terms energy: -546.726640
where:
bonds (distance) C4'-P energy: -113.378
bonds (distance) P-C4' energy: -110.901
flat angles C4'-P-C4' energy: -126.963
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -111.405
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1382.836295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.836295 (E_RNA)
where:
Base-Base interactions energy: -906.364
where: short stacking energy: -361.689
Base-Backbone interact. energy: -3.433
local terms energy: -473.039724
where:
bonds (distance) C4'-P energy: -93.674
bonds (distance) P-C4' energy: -116.481
flat angles C4'-P-C4' energy: -108.581
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -95.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1023.459097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.459097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.459097 (E_RNA)
where:
Base-Base interactions energy: -591.116
where: short stacking energy: -286.657
Base-Backbone interact. energy: -3.721
local terms energy: -428.621669
where:
bonds (distance) C4'-P energy: -106.927
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -70.875
tors. eta vs tors. theta energy: -49.278
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: 91
Temperature: 1.250000
Total energy: -707.245561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.245561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.245561 (E_RNA)
where:
Base-Base interactions energy: -333.900
where: short stacking energy: -195.653
Base-Backbone interact. energy: 5.617
local terms energy: -378.962387
where:
bonds (distance) C4'-P energy: -108.506
bonds (distance) P-C4' energy: -114.646
flat angles C4'-P-C4' energy: -94.711
flat angles P-C4'-P energy: -46.302
tors. eta vs tors. theta energy: -14.797
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: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -597.370208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.370208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.370208 (E_RNA)
where:
Base-Base interactions energy: -278.110
where: short stacking energy: -163.956
Base-Backbone interact. energy: 7.526
local terms energy: -326.786508
where:
bonds (distance) C4'-P energy: -98.249
bonds (distance) P-C4' energy: -95.950
flat angles C4'-P-C4' energy: -95.005
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: 11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -523.716158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.716158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.716158 (E_RNA)
where:
Base-Base interactions energy: -212.485
where: short stacking energy: -137.238
Base-Backbone interact. energy: -1.983
local terms energy: -309.248352
where:
bonds (distance) C4'-P energy: -101.538
bonds (distance) P-C4' energy: -115.247
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: 17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2028.597026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.597026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.597026 (E_RNA)
where:
Base-Base interactions energy: -1370.084
where: short stacking energy: -571.104
Base-Backbone interact. energy: -1.299
local terms energy: -657.214453
where:
bonds (distance) C4'-P energy: -125.873
bonds (distance) P-C4' energy: -128.963
flat angles C4'-P-C4' energy: -136.348
flat angles P-C4'-P energy: -97.687
tors. eta vs tors. theta energy: -168.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1931.810053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.810053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.810053 (E_RNA)
where:
Base-Base interactions energy: -1328.238
where: short stacking energy: -536.912
Base-Backbone interact. energy: -1.402
local terms energy: -602.169284
where:
bonds (distance) C4'-P energy: -114.978
bonds (distance) P-C4' energy: -117.708
flat angles C4'-P-C4' energy: -117.942
flat angles P-C4'-P energy: -87.718
tors. eta vs tors. theta energy: -163.824
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: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1787.384009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.384009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.384009 (E_RNA)
where:
Base-Base interactions energy: -1189.992
where: short stacking energy: -508.688
Base-Backbone interact. energy: -0.467
local terms energy: -596.924972
where:
bonds (distance) C4'-P energy: -109.111
bonds (distance) P-C4' energy: -123.153
flat angles C4'-P-C4' energy: -126.016
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -156.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1738.617875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.617875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.617875 (E_RNA)
where:
Base-Base interactions energy: -1154.374
where: short stacking energy: -508.918
Base-Backbone interact. energy: 1.805
local terms energy: -586.048347
where:
bonds (distance) C4'-P energy: -120.066
bonds (distance) P-C4' energy: -116.697
flat angles C4'-P-C4' energy: -125.153
flat angles P-C4'-P energy: -85.238
tors. eta vs tors. theta energy: -138.894
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1507.968747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.968747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.968747 (E_RNA)
where:
Base-Base interactions energy: -973.451
where: short stacking energy: -428.856
Base-Backbone interact. energy: -1.261
local terms energy: -533.256546
where:
bonds (distance) C4'-P energy: -97.692
bonds (distance) P-C4' energy: -135.618
flat angles C4'-P-C4' energy: -119.664
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -109.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1377.697384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.697384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.697384 (E_RNA)
where:
Base-Base interactions energy: -903.684
where: short stacking energy: -383.039
Base-Backbone interact. energy: 6.377
local terms energy: -480.390342
where:
bonds (distance) C4'-P energy: -93.703
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -111.673
flat angles P-C4'-P energy: -69.434
tors. eta vs tors. theta energy: -91.794
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1025.706171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.706171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.706171 (E_RNA)
where:
Base-Base interactions energy: -578.412
where: short stacking energy: -273.988
Base-Backbone interact. energy: -2.382
local terms energy: -444.911985
where:
bonds (distance) C4'-P energy: -97.599
bonds (distance) P-C4' energy: -120.246
flat angles C4'-P-C4' energy: -103.256
flat angles P-C4'-P energy: -73.943
tors. eta vs tors. theta energy: -49.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -736.168278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.168278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.168278 (E_RNA)
where:
Base-Base interactions energy: -344.707
where: short stacking energy: -173.635
Base-Backbone interact. energy: -1.995
local terms energy: -389.465641
where:
bonds (distance) C4'-P energy: -99.163
bonds (distance) P-C4' energy: -111.062
flat angles C4'-P-C4' energy: -96.221
flat angles P-C4'-P energy: -59.122
tors. eta vs tors. theta energy: -23.897
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: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -607.421857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.421857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.421857 (E_RNA)
where:
Base-Base interactions energy: -249.068
where: short stacking energy: -167.882
Base-Backbone interact. energy: -1.401
local terms energy: -356.953682
where:
bonds (distance) C4'-P energy: -91.515
bonds (distance) P-C4' energy: -109.378
flat angles C4'-P-C4' energy: -89.096
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -482.408276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.408276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.408276 (E_RNA)
where:
Base-Base interactions energy: -167.231
where: short stacking energy: -129.383
Base-Backbone interact. energy: 4.137
local terms energy: -319.314769
where:
bonds (distance) C4'-P energy: -92.356
bonds (distance) P-C4' energy: -96.692
flat angles C4'-P-C4' energy: -106.081
flat angles P-C4'-P energy: -53.377
tors. eta vs tors. theta energy: 29.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2030.961253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.961253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.961253 (E_RNA)
where:
Base-Base interactions energy: -1389.929
where: short stacking energy: -579.902
Base-Backbone interact. energy: -3.148
local terms energy: -637.883623
where:
bonds (distance) C4'-P energy: -124.316
bonds (distance) P-C4' energy: -128.612
flat angles C4'-P-C4' energy: -139.873
flat angles P-C4'-P energy: -81.943
tors. eta vs tors. theta energy: -163.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1964.248220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.248220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.248220 (E_RNA)
where:
Base-Base interactions energy: -1340.323
where: short stacking energy: -571.541
Base-Backbone interact. energy: -0.505
local terms energy: -623.420096
where:
bonds (distance) C4'-P energy: -117.367
bonds (distance) P-C4' energy: -120.967
flat angles C4'-P-C4' energy: -131.497
flat angles P-C4'-P energy: -86.803
tors. eta vs tors. theta energy: -166.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1832.254548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.254548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.254548 (E_RNA)
where:
Base-Base interactions energy: -1229.905
where: short stacking energy: -518.515
Base-Backbone interact. energy: -3.301
local terms energy: -599.048542
where:
bonds (distance) C4'-P energy: -116.141
bonds (distance) P-C4' energy: -97.075
flat angles C4'-P-C4' energy: -135.576
flat angles P-C4'-P energy: -89.743
tors. eta vs tors. theta energy: -160.514
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: 93
Temperature: 1.050000
Total energy: -1714.754119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.754119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.754119 (E_RNA)
where:
Base-Base interactions energy: -1117.417
where: short stacking energy: -500.155
Base-Backbone interact. energy: -1.849
local terms energy: -595.487980
where:
bonds (distance) C4'-P energy: -117.391
bonds (distance) P-C4' energy: -126.599
flat angles C4'-P-C4' energy: -124.065
flat angles P-C4'-P energy: -88.125
tors. eta vs tors. theta energy: -139.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1574.068872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.068872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.068872 (E_RNA)
where:
Base-Base interactions energy: -1025.828
where: short stacking energy: -437.772
Base-Backbone interact. energy: 0.376
local terms energy: -548.616818
where:
bonds (distance) C4'-P energy: -114.137
bonds (distance) P-C4' energy: -118.918
flat angles C4'-P-C4' energy: -119.138
flat angles P-C4'-P energy: -76.136
tors. eta vs tors. theta energy: -120.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1349.058851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.058851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.058851 (E_RNA)
where:
Base-Base interactions energy: -857.000
where: short stacking energy: -380.966
Base-Backbone interact. energy: 2.341
local terms energy: -494.399219
where:
bonds (distance) C4'-P energy: -106.333
bonds (distance) P-C4' energy: -115.861
flat angles C4'-P-C4' energy: -112.897
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -100.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -997.805191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.805191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.805191 (E_RNA)
where:
Base-Base interactions energy: -581.866
where: short stacking energy: -298.885
Base-Backbone interact. energy: -2.809
local terms energy: -413.129572
where:
bonds (distance) C4'-P energy: -97.263
bonds (distance) P-C4' energy: -98.516
flat angles C4'-P-C4' energy: -105.229
flat angles P-C4'-P energy: -53.833
tors. eta vs tors. theta energy: -58.289
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: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -675.910240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.910240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.910240 (E_RNA)
where:
Base-Base interactions energy: -317.552
where: short stacking energy: -177.038
Base-Backbone interact. energy: -0.824
local terms energy: -357.534913
where:
bonds (distance) C4'-P energy: -105.187
bonds (distance) P-C4' energy: -116.044
flat angles C4'-P-C4' energy: -82.895
flat angles P-C4'-P energy: -56.432
tors. eta vs tors. theta energy: 3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -683.204783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.204783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.204783 (E_RNA)
where:
Base-Base interactions energy: -337.351
where: short stacking energy: -183.949
Base-Backbone interact. energy: -1.895
local terms energy: -343.959537
where:
bonds (distance) C4'-P energy: -88.249
bonds (distance) P-C4' energy: -103.152
flat angles C4'-P-C4' energy: -87.500
flat angles P-C4'-P energy: -57.329
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -457.349752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.349752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.349752 (E_RNA)
where:
Base-Base interactions energy: -165.316
where: short stacking energy: -144.151
Base-Backbone interact. energy: 0.199
local terms energy: -292.232713
where:
bonds (distance) C4'-P energy: -87.379
bonds (distance) P-C4' energy: -89.919
flat angles C4'-P-C4' energy: -75.592
flat angles P-C4'-P energy: -54.048
tors. eta vs tors. theta energy: 14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2029.664911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.664911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.664911 (E_RNA)
where:
Base-Base interactions energy: -1370.835
where: short stacking energy: -591.955
Base-Backbone interact. energy: -3.739
local terms energy: -655.091240
where:
bonds (distance) C4'-P energy: -129.697
bonds (distance) P-C4' energy: -113.212
flat angles C4'-P-C4' energy: -137.291
flat angles P-C4'-P energy: -92.007
tors. eta vs tors. theta energy: -182.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1947.968811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.968811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.968811 (E_RNA)
where:
Base-Base interactions energy: -1313.069
where: short stacking energy: -559.776
Base-Backbone interact. energy: -5.316
local terms energy: -629.584101
where:
bonds (distance) C4'-P energy: -119.428
bonds (distance) P-C4' energy: -116.546
flat angles C4'-P-C4' energy: -134.474
flat angles P-C4'-P energy: -101.833
tors. eta vs tors. theta energy: -157.303
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: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1868.334715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.334715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.334715 (E_RNA)
where:
Base-Base interactions energy: -1256.712
where: short stacking energy: -531.704
Base-Backbone interact. energy: -1.116
local terms energy: -610.505989
where:
bonds (distance) C4'-P energy: -117.629
bonds (distance) P-C4' energy: -110.702
flat angles C4'-P-C4' energy: -137.047
flat angles P-C4'-P energy: -84.560
tors. eta vs tors. theta energy: -160.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1718.056535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.056535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.056535 (E_RNA)
where:
Base-Base interactions energy: -1114.219
where: short stacking energy: -489.608
Base-Backbone interact. energy: -3.898
local terms energy: -599.939990
where:
bonds (distance) C4'-P energy: -133.237
bonds (distance) P-C4' energy: -113.845
flat angles C4'-P-C4' energy: -117.879
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -160.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1528.261017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.261017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.261017 (E_RNA)
where:
Base-Base interactions energy: -1010.283
where: short stacking energy: -417.560
Base-Backbone interact. energy: -2.691
local terms energy: -515.286856
where:
bonds (distance) C4'-P energy: -110.485
bonds (distance) P-C4' energy: -117.009
flat angles C4'-P-C4' energy: -114.574
flat angles P-C4'-P energy: -74.403
tors. eta vs tors. theta energy: -98.816
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1341.421193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.421193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.421193 (E_RNA)
where:
Base-Base interactions energy: -837.276
where: short stacking energy: -373.250
Base-Backbone interact. energy: 1.559
local terms energy: -505.703876
where:
bonds (distance) C4'-P energy: -101.339
bonds (distance) P-C4' energy: -107.955
flat angles C4'-P-C4' energy: -119.956
flat angles P-C4'-P energy: -78.149
tors. eta vs tors. theta energy: -98.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1070.065338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.065338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.065338 (E_RNA)
where:
Base-Base interactions energy: -645.030
where: short stacking energy: -315.962
Base-Backbone interact. energy: 0.491
local terms energy: -425.526517
where:
bonds (distance) C4'-P energy: -103.222
bonds (distance) P-C4' energy: -99.050
flat angles C4'-P-C4' energy: -93.541
flat angles P-C4'-P energy: -77.617
tors. eta vs tors. theta energy: -52.097
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -682.443787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.443787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.443787 (E_RNA)
where:
Base-Base interactions energy: -331.551
where: short stacking energy: -181.329
Base-Backbone interact. energy: -2.717
local terms energy: -348.175820
where:
bonds (distance) C4'-P energy: -103.825
bonds (distance) P-C4' energy: -87.302
flat angles C4'-P-C4' energy: -95.299
flat angles P-C4'-P energy: -65.153
tors. eta vs tors. theta energy: 3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -743.606499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.606499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.606499 (E_RNA)
where:
Base-Base interactions energy: -367.062
where: short stacking energy: -198.655
Base-Backbone interact. energy: -1.463
local terms energy: -375.081154
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -94.060
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -8.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -456.933105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.933105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.933105 (E_RNA)
where:
Base-Base interactions energy: -143.766
where: short stacking energy: -122.376
Base-Backbone interact. energy: -2.214
local terms energy: -310.953130
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -117.501
flat angles C4'-P-C4' energy: -54.346
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: 27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2009.629783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.629783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.629783 (E_RNA)
where:
Base-Base interactions energy: -1355.821
where: short stacking energy: -582.354
Base-Backbone interact. energy: -2.878
local terms energy: -650.930810
where:
bonds (distance) C4'-P energy: -123.534
bonds (distance) P-C4' energy: -126.472
flat angles C4'-P-C4' energy: -139.466
flat angles P-C4'-P energy: -88.576
tors. eta vs tors. theta energy: -172.883
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1932.563161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.563161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.563161 (E_RNA)
where:
Base-Base interactions energy: -1341.390
where: short stacking energy: -545.749
Base-Backbone interact. energy: -1.280
local terms energy: -589.892527
where:
bonds (distance) C4'-P energy: -104.488
bonds (distance) P-C4' energy: -119.169
flat angles C4'-P-C4' energy: -133.498
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -152.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1879.864112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.864112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.864112 (E_RNA)
where:
Base-Base interactions energy: -1254.032
where: short stacking energy: -551.083
Base-Backbone interact. energy: -6.875
local terms energy: -618.956925
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -134.336
flat angles C4'-P-C4' energy: -125.396
flat angles P-C4'-P energy: -71.794
tors. eta vs tors. theta energy: -176.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1702.571842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.571842 (E_RNA)
where:
Base-Base interactions energy: -1142.332
where: short stacking energy: -506.446
Base-Backbone interact. energy: -2.263
local terms energy: -557.977148
where:
bonds (distance) C4'-P energy: -102.044
bonds (distance) P-C4' energy: -107.789
flat angles C4'-P-C4' energy: -113.656
flat angles P-C4'-P energy: -85.592
tors. eta vs tors. theta energy: -148.897
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: 95
Temperature: 1.100000
Total energy: -1555.073782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.073782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.073782 (E_RNA)
where:
Base-Base interactions energy: -1005.109
where: short stacking energy: -453.961
Base-Backbone interact. energy: -2.452
local terms energy: -547.512413
where:
bonds (distance) C4'-P energy: -112.632
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -122.888
flat angles P-C4'-P energy: -87.450
tors. eta vs tors. theta energy: -113.555
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1293.102759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.102759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.102759 (E_RNA)
where:
Base-Base interactions energy: -811.662
where: short stacking energy: -385.013
Base-Backbone interact. energy: 2.924
local terms energy: -484.365577
where:
bonds (distance) C4'-P energy: -95.045
bonds (distance) P-C4' energy: -100.677
flat angles C4'-P-C4' energy: -118.340
flat angles P-C4'-P energy: -80.104
tors. eta vs tors. theta energy: -90.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1062.795410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.795410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.795410 (E_RNA)
where:
Base-Base interactions energy: -651.137
where: short stacking energy: -321.386
Base-Backbone interact. energy: -0.553
local terms energy: -411.105231
where:
bonds (distance) C4'-P energy: -92.459
bonds (distance) P-C4' energy: -105.996
flat angles C4'-P-C4' energy: -103.603
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -47.623
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: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -738.711530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.711530 (E_RNA)
where:
Base-Base interactions energy: -374.813
where: short stacking energy: -187.602
Base-Backbone interact. energy: 2.393
local terms energy: -366.291705
where:
bonds (distance) C4'-P energy: -110.526
bonds (distance) P-C4' energy: -107.230
flat angles C4'-P-C4' energy: -78.693
flat angles P-C4'-P energy: -67.341
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -669.485187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.485187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.485187 (E_RNA)
where:
Base-Base interactions energy: -339.157
where: short stacking energy: -200.086
Base-Backbone interact. energy: -1.713
local terms energy: -328.615245
where:
bonds (distance) C4'-P energy: -103.323
bonds (distance) P-C4' energy: -78.776
flat angles C4'-P-C4' energy: -94.980
flat angles P-C4'-P energy: -50.985
tors. eta vs tors. theta energy: -0.551
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: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -478.402627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.402627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.402627 (E_RNA)
where:
Base-Base interactions energy: -158.280
where: short stacking energy: -128.772
Base-Backbone interact. energy: 2.654
local terms energy: -322.776205
where:
bonds (distance) C4'-P energy: -95.218
bonds (distance) P-C4' energy: -103.524
flat angles C4'-P-C4' energy: -84.600
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2001.213260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.213260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.213260 (E_RNA)
where:
Base-Base interactions energy: -1348.821
where: short stacking energy: -565.936
Base-Backbone interact. energy: -2.726
local terms energy: -649.666259
where:
bonds (distance) C4'-P energy: -125.784
bonds (distance) P-C4' energy: -124.366
flat angles C4'-P-C4' energy: -138.883
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: -169.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1997.383459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.383459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.383459 (E_RNA)
where:
Base-Base interactions energy: -1345.662
where: short stacking energy: -576.149
Base-Backbone interact. energy: -5.666
local terms energy: -646.055273
where:
bonds (distance) C4'-P energy: -111.080
bonds (distance) P-C4' energy: -133.928
flat angles C4'-P-C4' energy: -134.731
flat angles P-C4'-P energy: -83.877
tors. eta vs tors. theta energy: -182.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1831.678318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.678318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.678318 (E_RNA)
where:
Base-Base interactions energy: -1226.829
where: short stacking energy: -549.848
Base-Backbone interact. energy: -1.107
local terms energy: -603.742373
where:
bonds (distance) C4'-P energy: -108.191
bonds (distance) P-C4' energy: -115.387
flat angles C4'-P-C4' energy: -127.537
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -163.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1694.479557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.479557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.479557 (E_RNA)
where:
Base-Base interactions energy: -1132.234
where: short stacking energy: -491.684
Base-Backbone interact. energy: -2.610
local terms energy: -559.636031
where:
bonds (distance) C4'-P energy: -95.110
bonds (distance) P-C4' energy: -114.955
flat angles C4'-P-C4' energy: -120.502
flat angles P-C4'-P energy: -72.958
tors. eta vs tors. theta energy: -156.111
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1564.440462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.440462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.440462 (E_RNA)
where:
Base-Base interactions energy: -1015.918
where: short stacking energy: -448.302
Base-Backbone interact. energy: 0.353
local terms energy: -548.876134
where:
bonds (distance) C4'-P energy: -101.598
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -133.820
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -127.603
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1218.529377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.529377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.529377 (E_RNA)
where:
Base-Base interactions energy: -787.223
where: short stacking energy: -338.867
Base-Backbone interact. energy: -5.755
local terms energy: -425.551969
where:
bonds (distance) C4'-P energy: -83.270
bonds (distance) P-C4' energy: -107.352
flat angles C4'-P-C4' energy: -103.244
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -62.373
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: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1051.432264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.432264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.432264 (E_RNA)
where:
Base-Base interactions energy: -663.743
where: short stacking energy: -294.545
Base-Backbone interact. energy: -2.371
local terms energy: -385.318646
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -88.725
flat angles C4'-P-C4' energy: -95.260
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -753.882956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.882956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.882956 (E_RNA)
where:
Base-Base interactions energy: -380.785
where: short stacking energy: -205.109
Base-Backbone interact. energy: -2.346
local terms energy: -370.751592
where:
bonds (distance) C4'-P energy: -99.362
bonds (distance) P-C4' energy: -108.264
flat angles C4'-P-C4' energy: -97.574
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -646.989387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.989387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.989387 (E_RNA)
where:
Base-Base interactions energy: -308.442
where: short stacking energy: -188.899
Base-Backbone interact. energy: -3.638
local terms energy: -334.909671
where:
bonds (distance) C4'-P energy: -91.316
bonds (distance) P-C4' energy: -96.615
flat angles C4'-P-C4' energy: -93.185
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -522.065693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.065693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.065693 (E_RNA)
where:
Base-Base interactions energy: -172.898
where: short stacking energy: -134.717
Base-Backbone interact. energy: 3.038
local terms energy: -352.206083
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -103.807
flat angles C4'-P-C4' energy: -81.172
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: 20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1999.869533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.869533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.869533 (E_RNA)
where:
Base-Base interactions energy: -1375.921
where: short stacking energy: -565.803
Base-Backbone interact. energy: -2.177
local terms energy: -621.771843
where:
bonds (distance) C4'-P energy: -113.617
bonds (distance) P-C4' energy: -122.420
flat angles C4'-P-C4' energy: -127.161
flat angles P-C4'-P energy: -93.864
tors. eta vs tors. theta energy: -164.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1996.492477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.492477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.492477 (E_RNA)
where:
Base-Base interactions energy: -1360.062
where: short stacking energy: -557.186
Base-Backbone interact. energy: -0.125
local terms energy: -636.306097
where:
bonds (distance) C4'-P energy: -118.332
bonds (distance) P-C4' energy: -123.159
flat angles C4'-P-C4' energy: -131.263
flat angles P-C4'-P energy: -88.194
tors. eta vs tors. theta energy: -175.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1792.394988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.394988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.394988 (E_RNA)
where:
Base-Base interactions energy: -1207.479
where: short stacking energy: -531.108
Base-Backbone interact. energy: -3.109
local terms energy: -581.806464
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -108.190
flat angles C4'-P-C4' energy: -126.620
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -152.887
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: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1710.317532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.317532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.317532 (E_RNA)
where:
Base-Base interactions energy: -1137.000
where: short stacking energy: -479.894
Base-Backbone interact. energy: -4.339
local terms energy: -568.978409
where:
bonds (distance) C4'-P energy: -104.504
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -115.146
flat angles P-C4'-P energy: -83.223
tors. eta vs tors. theta energy: -136.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1545.361153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.361153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.361153 (E_RNA)
where:
Base-Base interactions energy: -1005.608
where: short stacking energy: -420.919
Base-Backbone interact. energy: -1.621
local terms energy: -538.132866
where:
bonds (distance) C4'-P energy: -107.052
bonds (distance) P-C4' energy: -112.195
flat angles C4'-P-C4' energy: -111.193
flat angles P-C4'-P energy: -86.976
tors. eta vs tors. theta energy: -120.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1213.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.121468 (E_RNA)
where:
Base-Base interactions energy: -766.664
where: short stacking energy: -374.919
Base-Backbone interact. energy: 1.973
local terms energy: -448.429845
where:
bonds (distance) C4'-P energy: -81.037
bonds (distance) P-C4' energy: -130.070
flat angles C4'-P-C4' energy: -94.936
flat angles P-C4'-P energy: -66.077
tors. eta vs tors. theta energy: -76.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -988.761000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.761000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.761000 (E_RNA)
where:
Base-Base interactions energy: -566.858
where: short stacking energy: -275.629
Base-Backbone interact. energy: 1.894
local terms energy: -423.796993
where:
bonds (distance) C4'-P energy: -106.285
bonds (distance) P-C4' energy: -97.040
flat angles C4'-P-C4' energy: -108.158
flat angles P-C4'-P energy: -74.369
tors. eta vs tors. theta energy: -37.945
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -757.372677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.372677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.372677 (E_RNA)
where:
Base-Base interactions energy: -371.379
where: short stacking energy: -218.072
Base-Backbone interact. energy: -1.238
local terms energy: -384.755126
where:
bonds (distance) C4'-P energy: -96.643
bonds (distance) P-C4' energy: -110.179
flat angles C4'-P-C4' energy: -90.231
flat angles P-C4'-P energy: -68.952
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -627.872838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.872838 (E_RNA)
where:
Base-Base interactions energy: -287.477
where: short stacking energy: -176.254
Base-Backbone interact. energy: 1.145
local terms energy: -341.540461
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -102.312
flat angles C4'-P-C4' energy: -87.854
flat angles P-C4'-P energy: -55.926
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -566.310650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.310650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.310650 (E_RNA)
where:
Base-Base interactions energy: -238.620
where: short stacking energy: -140.847
Base-Backbone interact. energy: -0.200
local terms energy: -327.490850
where:
bonds (distance) C4'-P energy: -91.359
bonds (distance) P-C4' energy: -109.035
flat angles C4'-P-C4' energy: -94.489
flat angles P-C4'-P energy: -53.067
tors. eta vs tors. theta energy: 20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1997.434518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.434518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.434518 (E_RNA)
where:
Base-Base interactions energy: -1361.128
where: short stacking energy: -575.918
Base-Backbone interact. energy: -4.298
local terms energy: -632.009387
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -131.330
flat angles C4'-P-C4' energy: -120.254
flat angles P-C4'-P energy: -91.501
tors. eta vs tors. theta energy: -180.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1988.691540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.691540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.691540 (E_RNA)
where:
Base-Base interactions energy: -1350.831
where: short stacking energy: -588.417
Base-Backbone interact. energy: -4.275
local terms energy: -633.585503
where:
bonds (distance) C4'-P energy: -121.015
bonds (distance) P-C4' energy: -114.710
flat angles C4'-P-C4' energy: -137.107
flat angles P-C4'-P energy: -78.908
tors. eta vs tors. theta energy: -181.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1812.517209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.517209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.517209 (E_RNA)
where:
Base-Base interactions energy: -1209.495
where: short stacking energy: -530.422
Base-Backbone interact. energy: 2.134
local terms energy: -605.156493
where:
bonds (distance) C4'-P energy: -119.175
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -133.362
flat angles P-C4'-P energy: -83.558
tors. eta vs tors. theta energy: -147.381
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1695.396524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.396524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.396524 (E_RNA)
where:
Base-Base interactions energy: -1117.417
where: short stacking energy: -473.783
Base-Backbone interact. energy: -1.901
local terms energy: -576.079242
where:
bonds (distance) C4'-P energy: -95.797
bonds (distance) P-C4' energy: -121.641
flat angles C4'-P-C4' energy: -130.425
flat angles P-C4'-P energy: -85.684
tors. eta vs tors. theta energy: -142.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1514.039723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.039723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.039723 (E_RNA)
where:
Base-Base interactions energy: -995.592
where: short stacking energy: -439.738
Base-Backbone interact. energy: -2.728
local terms energy: -515.719729
where:
bonds (distance) C4'-P energy: -107.161
bonds (distance) P-C4' energy: -107.370
flat angles C4'-P-C4' energy: -114.142
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -106.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1259.026705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.026705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.026705 (E_RNA)
where:
Base-Base interactions energy: -783.487
where: short stacking energy: -377.974
Base-Backbone interact. energy: -1.128
local terms energy: -474.412447
where:
bonds (distance) C4'-P energy: -104.991
bonds (distance) P-C4' energy: -122.061
flat angles C4'-P-C4' energy: -97.465
flat angles P-C4'-P energy: -71.345
tors. eta vs tors. theta energy: -78.551
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: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1124.757763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.757763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.757763 (E_RNA)
where:
Base-Base interactions energy: -691.261
where: short stacking energy: -297.212
Base-Backbone interact. energy: -2.056
local terms energy: -431.440147
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -111.852
flat angles C4'-P-C4' energy: -109.771
flat angles P-C4'-P energy: -65.476
tors. eta vs tors. theta energy: -41.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -727.841808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.841808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.841808 (E_RNA)
where:
Base-Base interactions energy: -383.819
where: short stacking energy: -203.255
Base-Backbone interact. energy: 2.403
local terms energy: -346.425862
where:
bonds (distance) C4'-P energy: -108.056
bonds (distance) P-C4' energy: -86.881
flat angles C4'-P-C4' energy: -96.281
flat angles P-C4'-P energy: -50.998
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -589.650135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.650135 (E_RNA)
where:
Base-Base interactions energy: -263.069
where: short stacking energy: -153.588
Base-Backbone interact. energy: -1.194
local terms energy: -325.387588
where:
bonds (distance) C4'-P energy: -102.363
bonds (distance) P-C4' energy: -101.181
flat angles C4'-P-C4' energy: -73.809
flat angles P-C4'-P energy: -56.851
tors. eta vs tors. theta energy: 8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -557.774027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.774027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.774027 (E_RNA)
where:
Base-Base interactions energy: -241.287
where: short stacking energy: -143.726
Base-Backbone interact. energy: 7.766
local terms energy: -324.252808
where:
bonds (distance) C4'-P energy: -104.725
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -74.993
flat angles P-C4'-P energy: -53.216
tors. eta vs tors. theta energy: 8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2011.784871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.784871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.784871 (E_RNA)
where:
Base-Base interactions energy: -1355.540
where: short stacking energy: -576.438
Base-Backbone interact. energy: -2.206
local terms energy: -654.039211
where:
bonds (distance) C4'-P energy: -99.435
bonds (distance) P-C4' energy: -142.437
flat angles C4'-P-C4' energy: -149.732
flat angles P-C4'-P energy: -88.965
tors. eta vs tors. theta energy: -173.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1973.658690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.658690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.658690 (E_RNA)
where:
Base-Base interactions energy: -1328.316
where: short stacking energy: -583.147
Base-Backbone interact. energy: -3.783
local terms energy: -641.559771
where:
bonds (distance) C4'-P energy: -114.570
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -132.396
flat angles P-C4'-P energy: -93.597
tors. eta vs tors. theta energy: -171.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1827.232223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.232223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.232223 (E_RNA)
where:
Base-Base interactions energy: -1242.033
where: short stacking energy: -489.382
Base-Backbone interact. energy: -3.140
local terms energy: -582.058747
where:
bonds (distance) C4'-P energy: -110.345
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -118.845
flat angles P-C4'-P energy: -76.911
tors. eta vs tors. theta energy: -160.754
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: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1699.357279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.357279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.357279 (E_RNA)
where:
Base-Base interactions energy: -1143.800
where: short stacking energy: -511.160
Base-Backbone interact. energy: -1.476
local terms energy: -554.081208
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -106.630
flat angles C4'-P-C4' energy: -122.861
flat angles P-C4'-P energy: -80.149
tors. eta vs tors. theta energy: -137.504
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: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1554.802023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.802023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.802023 (E_RNA)
where:
Base-Base interactions energy: -1032.169
where: short stacking energy: -447.125
Base-Backbone interact. energy: 0.691
local terms energy: -523.323861
where:
bonds (distance) C4'-P energy: -108.386
bonds (distance) P-C4' energy: -116.755
flat angles C4'-P-C4' energy: -121.794
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -119.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1277.541170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.541170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.541170 (E_RNA)
where:
Base-Base interactions energy: -792.925
where: short stacking energy: -366.839
Base-Backbone interact. energy: -1.580
local terms energy: -483.036042
where:
bonds (distance) C4'-P energy: -103.706
bonds (distance) P-C4' energy: -110.862
flat angles C4'-P-C4' energy: -115.381
flat angles P-C4'-P energy: -56.918
tors. eta vs tors. theta energy: -96.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1109.892294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.892294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.892294 (E_RNA)
where:
Base-Base interactions energy: -658.686
where: short stacking energy: -291.358
Base-Backbone interact. energy: 3.014
local terms energy: -454.220352
where:
bonds (distance) C4'-P energy: -116.100
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -101.873
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -61.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -725.636521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.636521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.636521 (E_RNA)
where:
Base-Base interactions energy: -356.743
where: short stacking energy: -217.331
Base-Backbone interact. energy: -2.518
local terms energy: -366.375921
where:
bonds (distance) C4'-P energy: -97.331
bonds (distance) P-C4' energy: -98.018
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -61.807
tors. eta vs tors. theta energy: -24.972
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: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -561.131133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.131133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.131133 (E_RNA)
where:
Base-Base interactions energy: -243.433
where: short stacking energy: -154.618
Base-Backbone interact. energy: -3.017
local terms energy: -314.681720
where:
bonds (distance) C4'-P energy: -89.278
bonds (distance) P-C4' energy: -93.500
flat angles C4'-P-C4' energy: -97.454
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: 6.959
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: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -521.950283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.950283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.950283 (E_RNA)
where:
Base-Base interactions energy: -198.112
where: short stacking energy: -129.864
Base-Backbone interact. energy: 4.946
local terms energy: -328.783786
where:
bonds (distance) C4'-P energy: -104.369
bonds (distance) P-C4' energy: -114.452
flat angles C4'-P-C4' energy: -78.663
flat angles P-C4'-P energy: -57.494
tors. eta vs tors. theta energy: 26.194
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2036.501812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.501812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.501812 (E_RNA)
where:
Base-Base interactions energy: -1400.207
where: short stacking energy: -599.456
Base-Backbone interact. energy: 1.811
local terms energy: -638.106008
where:
bonds (distance) C4'-P energy: -122.560
bonds (distance) P-C4' energy: -109.254
flat angles C4'-P-C4' energy: -140.587
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -173.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1949.209869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.209869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.209869 (E_RNA)
where:
Base-Base interactions energy: -1321.268
where: short stacking energy: -547.721
Base-Backbone interact. energy: -4.398
local terms energy: -623.543792
where:
bonds (distance) C4'-P energy: -112.315
bonds (distance) P-C4' energy: -125.095
flat angles C4'-P-C4' energy: -139.657
flat angles P-C4'-P energy: -80.839
tors. eta vs tors. theta energy: -165.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1849.142300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.142300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.142300 (E_RNA)
where:
Base-Base interactions energy: -1235.610
where: short stacking energy: -525.775
Base-Backbone interact. energy: -3.195
local terms energy: -610.338049
where:
bonds (distance) C4'-P energy: -111.524
bonds (distance) P-C4' energy: -123.444
flat angles C4'-P-C4' energy: -138.117
flat angles P-C4'-P energy: -67.328
tors. eta vs tors. theta energy: -169.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1700.229872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.229872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.229872 (E_RNA)
where:
Base-Base interactions energy: -1124.928
where: short stacking energy: -471.815
Base-Backbone interact. energy: -1.777
local terms energy: -573.525562
where:
bonds (distance) C4'-P energy: -113.766
bonds (distance) P-C4' energy: -119.091
flat angles C4'-P-C4' energy: -117.227
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -139.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1606.838187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.838187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.838187 (E_RNA)
where:
Base-Base interactions energy: -1049.074
where: short stacking energy: -493.691
Base-Backbone interact. energy: -1.964
local terms energy: -555.799551
where:
bonds (distance) C4'-P energy: -93.989
bonds (distance) P-C4' energy: -116.615
flat angles C4'-P-C4' energy: -124.394
flat angles P-C4'-P energy: -72.579
tors. eta vs tors. theta energy: -148.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1240.337867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.337867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.337867 (E_RNA)
where:
Base-Base interactions energy: -800.165
where: short stacking energy: -372.896
Base-Backbone interact. energy: -4.572
local terms energy: -435.600422
where:
bonds (distance) C4'-P energy: -98.161
bonds (distance) P-C4' energy: -101.266
flat angles C4'-P-C4' energy: -107.236
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -73.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1195.481928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.481928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.481928 (E_RNA)
where:
Base-Base interactions energy: -744.318
where: short stacking energy: -338.805
Base-Backbone interact. energy: 2.310
local terms energy: -453.474007
where:
bonds (distance) C4'-P energy: -98.304
bonds (distance) P-C4' energy: -105.497
flat angles C4'-P-C4' energy: -101.898
flat angles P-C4'-P energy: -67.949
tors. eta vs tors. theta energy: -79.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -727.390679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.390679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.390679 (E_RNA)
where:
Base-Base interactions energy: -359.133
where: short stacking energy: -221.090
Base-Backbone interact. energy: 1.121
local terms energy: -369.378912
where:
bonds (distance) C4'-P energy: -97.660
bonds (distance) P-C4' energy: -104.237
flat angles C4'-P-C4' energy: -85.507
flat angles P-C4'-P energy: -69.097
tors. eta vs tors. theta energy: -12.877
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: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -582.731631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.731631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.731631 (E_RNA)
where:
Base-Base interactions energy: -242.591
where: short stacking energy: -157.499
Base-Backbone interact. energy: 1.244
local terms energy: -341.384356
where:
bonds (distance) C4'-P energy: -111.752
bonds (distance) P-C4' energy: -101.526
flat angles C4'-P-C4' energy: -71.731
flat angles P-C4'-P energy: -52.519
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -591.256252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.256252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.256252 (E_RNA)
where:
Base-Base interactions energy: -246.294
where: short stacking energy: -160.665
Base-Backbone interact. energy: -1.139
local terms energy: -343.823892
where:
bonds (distance) C4'-P energy: -100.795
bonds (distance) P-C4' energy: -105.464
flat angles C4'-P-C4' energy: -96.011
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: 4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2040.367021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.367021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.367021 (E_RNA)
where:
Base-Base interactions energy: -1389.872
where: short stacking energy: -604.436
Base-Backbone interact. energy: -2.795
local terms energy: -647.700072
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -110.883
flat angles C4'-P-C4' energy: -137.345
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -190.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1938.235932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.235932 (E_RNA)
where:
Base-Base interactions energy: -1313.726
where: short stacking energy: -550.559
Base-Backbone interact. energy: -3.086
local terms energy: -621.424443
where:
bonds (distance) C4'-P energy: -124.927
bonds (distance) P-C4' energy: -110.703
flat angles C4'-P-C4' energy: -138.088
flat angles P-C4'-P energy: -86.897
tors. eta vs tors. theta energy: -160.809
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: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1833.829857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.829857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.829857 (E_RNA)
where:
Base-Base interactions energy: -1233.897
where: short stacking energy: -552.803
Base-Backbone interact. energy: -3.028
local terms energy: -596.904504
where:
bonds (distance) C4'-P energy: -103.853
bonds (distance) P-C4' energy: -107.921
flat angles C4'-P-C4' energy: -132.547
flat angles P-C4'-P energy: -93.382
tors. eta vs tors. theta energy: -159.202
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: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1684.100610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.100610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.100610 (E_RNA)
where:
Base-Base interactions energy: -1102.818
where: short stacking energy: -474.920
Base-Backbone interact. energy: -6.072
local terms energy: -575.211206
where:
bonds (distance) C4'-P energy: -113.921
bonds (distance) P-C4' energy: -113.110
flat angles C4'-P-C4' energy: -126.116
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -143.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1597.187499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.187499 (E_RNA)
where:
Base-Base interactions energy: -1068.414
where: short stacking energy: -432.851
Base-Backbone interact. energy: -1.004
local terms energy: -527.769465
where:
bonds (distance) C4'-P energy: -105.922
bonds (distance) P-C4' energy: -120.562
flat angles C4'-P-C4' energy: -109.772
flat angles P-C4'-P energy: -72.412
tors. eta vs tors. theta energy: -119.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1278.265345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.265345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.265345 (E_RNA)
where:
Base-Base interactions energy: -788.989
where: short stacking energy: -366.509
Base-Backbone interact. energy: -1.127
local terms energy: -488.148957
where:
bonds (distance) C4'-P energy: -96.516
bonds (distance) P-C4' energy: -104.951
flat angles C4'-P-C4' energy: -121.755
flat angles P-C4'-P energy: -71.030
tors. eta vs tors. theta energy: -93.897
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: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1150.973690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.973690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.973690 (E_RNA)
where:
Base-Base interactions energy: -683.786
where: short stacking energy: -326.953
Base-Backbone interact. energy: -2.574
local terms energy: -464.613819
where:
bonds (distance) C4'-P energy: -110.755
bonds (distance) P-C4' energy: -112.620
flat angles C4'-P-C4' energy: -92.751
flat angles P-C4'-P energy: -78.443
tors. eta vs tors. theta energy: -70.046
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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -699.063620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.063620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.063620 (E_RNA)
where:
Base-Base interactions energy: -315.319
where: short stacking energy: -178.908
Base-Backbone interact. energy: 4.619
local terms energy: -388.363409
where:
bonds (distance) C4'-P energy: -118.750
bonds (distance) P-C4' energy: -102.596
flat angles C4'-P-C4' energy: -92.744
flat angles P-C4'-P energy: -67.769
tors. eta vs tors. theta energy: -6.504
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: 101
Temperature: 1.300000
Total energy: -684.463230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.463230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.463230 (E_RNA)
where:
Base-Base interactions energy: -311.923
where: short stacking energy: -188.931
Base-Backbone interact. energy: -2.076
local terms energy: -370.463761
where:
bonds (distance) C4'-P energy: -95.256
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -98.004
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -545.527795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.527795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.527795 (E_RNA)
where:
Base-Base interactions energy: -240.827
where: short stacking energy: -157.271
Base-Backbone interact. energy: -0.057
local terms energy: -304.643890
where:
bonds (distance) C4'-P energy: -93.759
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -86.044
flat angles P-C4'-P energy: -50.779
tors. eta vs tors. theta energy: 35.107
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: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2055.205235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.205235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.205235 (E_RNA)
where:
Base-Base interactions energy: -1398.665
where: short stacking energy: -583.328
Base-Backbone interact. energy: -1.469
local terms energy: -655.070917
where:
bonds (distance) C4'-P energy: -135.558
bonds (distance) P-C4' energy: -112.251
flat angles C4'-P-C4' energy: -141.291
flat angles P-C4'-P energy: -83.568
tors. eta vs tors. theta energy: -182.403
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: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1985.701209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.701209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.701209 (E_RNA)
where:
Base-Base interactions energy: -1358.842
where: short stacking energy: -591.883
Base-Backbone interact. energy: -3.124
local terms energy: -623.735378
where:
bonds (distance) C4'-P energy: -102.509
bonds (distance) P-C4' energy: -121.934
flat angles C4'-P-C4' energy: -117.659
flat angles P-C4'-P energy: -102.598
tors. eta vs tors. theta energy: -179.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1885.666242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.666242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.666242 (E_RNA)
where:
Base-Base interactions energy: -1261.584
where: short stacking energy: -536.942
Base-Backbone interact. energy: -2.182
local terms energy: -621.900140
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -118.092
flat angles C4'-P-C4' energy: -131.764
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -178.086
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: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1669.273861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.273861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.273861 (E_RNA)
where:
Base-Base interactions energy: -1104.218
where: short stacking energy: -489.354
Base-Backbone interact. energy: -2.747
local terms energy: -562.308658
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -107.773
flat angles C4'-P-C4' energy: -120.319
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -133.666
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: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1573.365045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.365045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.365045 (E_RNA)
where:
Base-Base interactions energy: -1053.265
where: short stacking energy: -487.457
Base-Backbone interact. energy: 3.492
local terms energy: -523.592424
where:
bonds (distance) C4'-P energy: -108.868
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -119.202
flat angles P-C4'-P energy: -74.681
tors. eta vs tors. theta energy: -127.486
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: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1334.449199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.449199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.449199 (E_RNA)
where:
Base-Base interactions energy: -833.460
where: short stacking energy: -369.642
Base-Backbone interact. energy: -1.132
local terms energy: -499.857573
where:
bonds (distance) C4'-P energy: -114.527
bonds (distance) P-C4' energy: -107.728
flat angles C4'-P-C4' energy: -117.368
flat angles P-C4'-P energy: -68.618
tors. eta vs tors. theta energy: -91.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1099.328760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.328760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.328760 (E_RNA)
where:
Base-Base interactions energy: -670.612
where: short stacking energy: -282.789
Base-Backbone interact. energy: -2.406
local terms energy: -426.310299
where:
bonds (distance) C4'-P energy: -99.034
bonds (distance) P-C4' energy: -120.285
flat angles C4'-P-C4' energy: -103.916
flat angles P-C4'-P energy: -58.884
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -708.220422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.220422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.220422 (E_RNA)
where:
Base-Base interactions energy: -351.245
where: short stacking energy: -180.644
Base-Backbone interact. energy: -0.108
local terms energy: -356.867791
where:
bonds (distance) C4'-P energy: -99.485
bonds (distance) P-C4' energy: -112.222
flat angles C4'-P-C4' energy: -85.826
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -691.385319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.385319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.385319 (E_RNA)
where:
Base-Base interactions energy: -327.857
where: short stacking energy: -195.032
Base-Backbone interact. energy: 0.584
local terms energy: -364.112016
where:
bonds (distance) C4'-P energy: -110.448
bonds (distance) P-C4' energy: -111.340
flat angles C4'-P-C4' energy: -93.222
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -495.618218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.618218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.618218 (E_RNA)
where:
Base-Base interactions energy: -216.427
where: short stacking energy: -130.290
Base-Backbone interact. energy: -2.675
local terms energy: -276.516488
where:
bonds (distance) C4'-P energy: -91.797
bonds (distance) P-C4' energy: -96.049
flat angles C4'-P-C4' energy: -81.561
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: 33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2034.721977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.721977 (E_RNA)
where:
Base-Base interactions energy: -1391.360
where: short stacking energy: -578.140
Base-Backbone interact. energy: -2.540
local terms energy: -640.821987
where:
bonds (distance) C4'-P energy: -123.393
bonds (distance) P-C4' energy: -126.379
flat angles C4'-P-C4' energy: -140.145
flat angles P-C4'-P energy: -76.051
tors. eta vs tors. theta energy: -174.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1937.103647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.103647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.103647 (E_RNA)
where:
Base-Base interactions energy: -1277.534
where: short stacking energy: -565.659
Base-Backbone interact. energy: -3.889
local terms energy: -655.680106
where:
bonds (distance) C4'-P energy: -127.252
bonds (distance) P-C4' energy: -122.488
flat angles C4'-P-C4' energy: -135.320
flat angles P-C4'-P energy: -93.153
tors. eta vs tors. theta energy: -177.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1866.238531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.238531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.238531 (E_RNA)
where:
Base-Base interactions energy: -1242.253
where: short stacking energy: -550.426
Base-Backbone interact. energy: -2.401
local terms energy: -621.584792
where:
bonds (distance) C4'-P energy: -124.340
bonds (distance) P-C4' energy: -112.371
flat angles C4'-P-C4' energy: -130.195
flat angles P-C4'-P energy: -78.900
tors. eta vs tors. theta energy: -175.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1713.006988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.006988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.006988 (E_RNA)
where:
Base-Base interactions energy: -1143.113
where: short stacking energy: -495.350
Base-Backbone interact. energy: -2.414
local terms energy: -567.480028
where:
bonds (distance) C4'-P energy: -120.491
bonds (distance) P-C4' energy: -118.284
flat angles C4'-P-C4' energy: -125.323
flat angles P-C4'-P energy: -68.547
tors. eta vs tors. theta energy: -134.835
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: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1579.462531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.462531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.462531 (E_RNA)
where:
Base-Base interactions energy: -1068.091
where: short stacking energy: -459.842
Base-Backbone interact. energy: 3.721
local terms energy: -515.092404
where:
bonds (distance) C4'-P energy: -93.845
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -113.351
flat angles P-C4'-P energy: -66.141
tors. eta vs tors. theta energy: -131.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1359.610370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.610370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.610370 (E_RNA)
where:
Base-Base interactions energy: -885.116
where: short stacking energy: -364.805
Base-Backbone interact. energy: -2.615
local terms energy: -471.879218
where:
bonds (distance) C4'-P energy: -96.674
bonds (distance) P-C4' energy: -106.979
flat angles C4'-P-C4' energy: -106.799
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: -94.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1099.860856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.860856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.860856 (E_RNA)
where:
Base-Base interactions energy: -663.983
where: short stacking energy: -302.112
Base-Backbone interact. energy: 7.002
local terms energy: -442.879250
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -104.519
flat angles P-C4'-P energy: -70.403
tors. eta vs tors. theta energy: -60.993
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: 103
Temperature: 1.250000
Total energy: -659.827670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.827670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.827670 (E_RNA)
where:
Base-Base interactions energy: -335.352
where: short stacking energy: -206.590
Base-Backbone interact. energy: 1.640
local terms energy: -326.115443
where:
bonds (distance) C4'-P energy: -67.560
bonds (distance) P-C4' energy: -104.780
flat angles C4'-P-C4' energy: -100.035
flat angles P-C4'-P energy: -62.973
tors. eta vs tors. theta energy: 9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -678.773960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.773960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.773960 (E_RNA)
where:
Base-Base interactions energy: -315.928
where: short stacking energy: -207.315
Base-Backbone interact. energy: 1.784
local terms energy: -364.629946
where:
bonds (distance) C4'-P energy: -107.990
bonds (distance) P-C4' energy: -110.910
flat angles C4'-P-C4' energy: -93.158
flat angles P-C4'-P energy: -43.275
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -476.854648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.854648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.854648 (E_RNA)
where:
Base-Base interactions energy: -165.505
where: short stacking energy: -153.566
Base-Backbone interact. energy: -0.851
local terms energy: -310.498233
where:
bonds (distance) C4'-P energy: -100.452
bonds (distance) P-C4' energy: -94.810
flat angles C4'-P-C4' energy: -66.390
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2018.621648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.621648 (E_RNA)
where:
Base-Base interactions energy: -1359.973
where: short stacking energy: -600.477
Base-Backbone interact. energy: -3.915
local terms energy: -654.733171
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -121.892
flat angles C4'-P-C4' energy: -140.349
flat angles P-C4'-P energy: -94.344
tors. eta vs tors. theta energy: -182.392
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: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1938.004165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.004165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.004165 (E_RNA)
where:
Base-Base interactions energy: -1304.015
where: short stacking energy: -566.335
Base-Backbone interact. energy: -3.101
local terms energy: -630.887933
where:
bonds (distance) C4'-P energy: -120.619
bonds (distance) P-C4' energy: -120.206
flat angles C4'-P-C4' energy: -130.162
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -171.287
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: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1881.876580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.876580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.876580 (E_RNA)
where:
Base-Base interactions energy: -1264.360
where: short stacking energy: -533.161
Base-Backbone interact. energy: -2.387
local terms energy: -615.129002
where:
bonds (distance) C4'-P energy: -121.342
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -129.415
flat angles P-C4'-P energy: -86.286
tors. eta vs tors. theta energy: -164.700
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: 104
Temperature: 1.050000
Total energy: -1694.517917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.517917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.517917 (E_RNA)
where:
Base-Base interactions energy: -1108.176
where: short stacking energy: -507.899
Base-Backbone interact. energy: 1.362
local terms energy: -587.703821
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -117.290
flat angles C4'-P-C4' energy: -125.453
flat angles P-C4'-P energy: -83.898
tors. eta vs tors. theta energy: -142.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1540.510732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.510732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.510732 (E_RNA)
where:
Base-Base interactions energy: -993.302
where: short stacking energy: -471.101
Base-Backbone interact. energy: -2.305
local terms energy: -544.903702
where:
bonds (distance) C4'-P energy: -93.011
bonds (distance) P-C4' energy: -118.275
flat angles C4'-P-C4' energy: -122.340
flat angles P-C4'-P energy: -83.066
tors. eta vs tors. theta energy: -128.213
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: 104
Temperature: 1.150000
Total energy: -1410.002887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.002887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.002887 (E_RNA)
where:
Base-Base interactions energy: -953.251
where: short stacking energy: -407.177
Base-Backbone interact. energy: 1.752
local terms energy: -458.503861
where:
bonds (distance) C4'-P energy: -94.900
bonds (distance) P-C4' energy: -102.484
flat angles C4'-P-C4' energy: -104.103
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -90.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1143.325579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.325579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.325579 (E_RNA)
where:
Base-Base interactions energy: -706.982
where: short stacking energy: -328.914
Base-Backbone interact. energy: 0.037
local terms energy: -436.379943
where:
bonds (distance) C4'-P energy: -90.855
bonds (distance) P-C4' energy: -117.696
flat angles C4'-P-C4' energy: -105.004
flat angles P-C4'-P energy: -58.912
tors. eta vs tors. theta energy: -63.913
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: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -742.309745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.309745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.309745 (E_RNA)
where:
Base-Base interactions energy: -350.776
where: short stacking energy: -223.196
Base-Backbone interact. energy: -1.548
local terms energy: -389.986146
where:
bonds (distance) C4'-P energy: -94.595
bonds (distance) P-C4' energy: -102.341
flat angles C4'-P-C4' energy: -106.779
flat angles P-C4'-P energy: -63.326
tors. eta vs tors. theta energy: -22.945
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: 104
Temperature: 1.300000
Total energy: -622.524777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.524777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.524777 (E_RNA)
where:
Base-Base interactions energy: -276.024
where: short stacking energy: -171.463
Base-Backbone interact. energy: 0.260
local terms energy: -346.761059
where:
bonds (distance) C4'-P energy: -106.181
bonds (distance) P-C4' energy: -116.532
flat angles C4'-P-C4' energy: -97.840
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: 12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -499.891375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.891375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.891375 (E_RNA)
where:
Base-Base interactions energy: -196.958
where: short stacking energy: -131.564
Base-Backbone interact. energy: 12.022
local terms energy: -314.955719
where:
bonds (distance) C4'-P energy: -101.398
bonds (distance) P-C4' energy: -109.110
flat angles C4'-P-C4' energy: -85.556
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: 15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2026.637204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.637204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.637204 (E_RNA)
where:
Base-Base interactions energy: -1403.804
where: short stacking energy: -572.607
Base-Backbone interact. energy: -1.207
local terms energy: -621.626214
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -124.794
flat angles C4'-P-C4' energy: -127.729
flat angles P-C4'-P energy: -86.609
tors. eta vs tors. theta energy: -165.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1968.163913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.163913 (E_RNA)
where:
Base-Base interactions energy: -1338.517
where: short stacking energy: -561.938
Base-Backbone interact. energy: -2.460
local terms energy: -627.187816
where:
bonds (distance) C4'-P energy: -87.699
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -144.307
flat angles P-C4'-P energy: -97.399
tors. eta vs tors. theta energy: -165.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1824.490037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.490037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.490037 (E_RNA)
where:
Base-Base interactions energy: -1238.105
where: short stacking energy: -510.391
Base-Backbone interact. energy: -3.874
local terms energy: -582.510961
where:
bonds (distance) C4'-P energy: -123.126
bonds (distance) P-C4' energy: -112.453
flat angles C4'-P-C4' energy: -119.609
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: -149.302
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: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1686.843719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.843719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.843719 (E_RNA)
where:
Base-Base interactions energy: -1107.299
where: short stacking energy: -499.785
Base-Backbone interact. energy: -2.045
local terms energy: -577.499863
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -111.414
flat angles C4'-P-C4' energy: -126.878
flat angles P-C4'-P energy: -92.489
tors. eta vs tors. theta energy: -136.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1622.649743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.649743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.649743 (E_RNA)
where:
Base-Base interactions energy: -1084.681
where: short stacking energy: -455.835
Base-Backbone interact. energy: 4.288
local terms energy: -542.256360
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -126.948
flat angles P-C4'-P energy: -58.055
tors. eta vs tors. theta energy: -127.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1389.409106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.409106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.409106 (E_RNA)
where:
Base-Base interactions energy: -891.963
where: short stacking energy: -406.384
Base-Backbone interact. energy: 4.416
local terms energy: -501.862663
where:
bonds (distance) C4'-P energy: -91.995
bonds (distance) P-C4' energy: -105.785
flat angles C4'-P-C4' energy: -132.926
flat angles P-C4'-P energy: -69.912
tors. eta vs tors. theta energy: -101.245
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: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1125.212747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.212747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.212747 (E_RNA)
where:
Base-Base interactions energy: -694.806
where: short stacking energy: -340.266
Base-Backbone interact. energy: -0.380
local terms energy: -430.026471
where:
bonds (distance) C4'-P energy: -104.443
bonds (distance) P-C4' energy: -108.659
flat angles C4'-P-C4' energy: -96.292
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -69.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -656.288907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.288907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.288907 (E_RNA)
where:
Base-Base interactions energy: -286.598
where: short stacking energy: -199.505
Base-Backbone interact. energy: -0.655
local terms energy: -369.035820
where:
bonds (distance) C4'-P energy: -109.723
bonds (distance) P-C4' energy: -119.298
flat angles C4'-P-C4' energy: -85.008
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -637.931026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.931026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.931026 (E_RNA)
where:
Base-Base interactions energy: -275.621
where: short stacking energy: -185.788
Base-Backbone interact. energy: 3.562
local terms energy: -365.871430
where:
bonds (distance) C4'-P energy: -90.030
bonds (distance) P-C4' energy: -105.634
flat angles C4'-P-C4' energy: -98.239
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -14.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -443.256665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.256665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.256665 (E_RNA)
where:
Base-Base interactions energy: -157.281
where: short stacking energy: -130.466
Base-Backbone interact. energy: 2.614
local terms energy: -288.589545
where:
bonds (distance) C4'-P energy: -96.319
bonds (distance) P-C4' energy: -107.291
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: 26.247
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2009.110005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.110005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.110005 (E_RNA)
where:
Base-Base interactions energy: -1353.495
where: short stacking energy: -576.371
Base-Backbone interact. energy: -1.489
local terms energy: -654.126091
where:
bonds (distance) C4'-P energy: -136.838
bonds (distance) P-C4' energy: -118.334
flat angles C4'-P-C4' energy: -128.247
flat angles P-C4'-P energy: -102.911
tors. eta vs tors. theta energy: -167.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1988.793718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.793718 (E_RNA)
where:
Base-Base interactions energy: -1347.730
where: short stacking energy: -555.971
Base-Backbone interact. energy: -2.531
local terms energy: -638.532808
where:
bonds (distance) C4'-P energy: -126.058
bonds (distance) P-C4' energy: -125.091
flat angles C4'-P-C4' energy: -132.714
flat angles P-C4'-P energy: -87.302
tors. eta vs tors. theta energy: -167.368
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1871.403085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.403085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.403085 (E_RNA)
where:
Base-Base interactions energy: -1265.987
where: short stacking energy: -561.636
Base-Backbone interact. energy: 7.417
local terms energy: -612.832792
where:
bonds (distance) C4'-P energy: -116.299
bonds (distance) P-C4' energy: -121.612
flat angles C4'-P-C4' energy: -131.698
flat angles P-C4'-P energy: -79.873
tors. eta vs tors. theta energy: -163.350
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: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1664.877970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.877970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.877970 (E_RNA)
where:
Base-Base interactions energy: -1111.751
where: short stacking energy: -469.018
Base-Backbone interact. energy: 0.230
local terms energy: -553.357681
where:
bonds (distance) C4'-P energy: -120.240
bonds (distance) P-C4' energy: -112.406
flat angles C4'-P-C4' energy: -113.929
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -127.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1595.624051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.624051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.624051 (E_RNA)
where:
Base-Base interactions energy: -1042.104
where: short stacking energy: -444.363
Base-Backbone interact. energy: -0.588
local terms energy: -552.931895
where:
bonds (distance) C4'-P energy: -121.450
bonds (distance) P-C4' energy: -107.594
flat angles C4'-P-C4' energy: -122.821
flat angles P-C4'-P energy: -92.422
tors. eta vs tors. theta energy: -108.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1377.447703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.447703 (E_RNA)
where:
Base-Base interactions energy: -896.570
where: short stacking energy: -368.027
Base-Backbone interact. energy: 1.135
local terms energy: -482.012481
where:
bonds (distance) C4'-P energy: -102.814
bonds (distance) P-C4' energy: -99.440
flat angles C4'-P-C4' energy: -116.307
flat angles P-C4'-P energy: -72.110
tors. eta vs tors. theta energy: -91.341
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: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1106.608104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.608104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.608104 (E_RNA)
where:
Base-Base interactions energy: -666.355
where: short stacking energy: -305.746
Base-Backbone interact. energy: -0.710
local terms energy: -439.543124
where:
bonds (distance) C4'-P energy: -94.749
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -60.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -665.938720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.938720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.938720 (E_RNA)
where:
Base-Base interactions energy: -310.290
where: short stacking energy: -189.878
Base-Backbone interact. energy: 2.663
local terms energy: -358.311972
where:
bonds (distance) C4'-P energy: -100.932
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -90.168
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: 1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -610.283008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.283008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.283008 (E_RNA)
where:
Base-Base interactions energy: -278.087
where: short stacking energy: -149.005
Base-Backbone interact. energy: 4.722
local terms energy: -336.918655
where:
bonds (distance) C4'-P energy: -84.407
bonds (distance) P-C4' energy: -140.187
flat angles C4'-P-C4' energy: -83.284
flat angles P-C4'-P energy: -52.216
tors. eta vs tors. theta energy: 23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -474.257829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.257829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.257829 (E_RNA)
where:
Base-Base interactions energy: -159.869
where: short stacking energy: -127.370
Base-Backbone interact. energy: 1.204
local terms energy: -315.592995
where:
bonds (distance) C4'-P energy: -100.771
bonds (distance) P-C4' energy: -103.554
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -55.941
tors. eta vs tors. theta energy: 17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2024.865982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.865982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.865982 (E_RNA)
where:
Base-Base interactions energy: -1344.532
where: short stacking energy: -557.967
Base-Backbone interact. energy: -0.936
local terms energy: -679.398042
where:
bonds (distance) C4'-P energy: -127.228
bonds (distance) P-C4' energy: -134.492
flat angles C4'-P-C4' energy: -147.409
flat angles P-C4'-P energy: -95.246
tors. eta vs tors. theta energy: -175.023
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: 107
Temperature: 0.950000
Total energy: -1967.213520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.213520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.213520 (E_RNA)
where:
Base-Base interactions energy: -1365.631
where: short stacking energy: -548.025
Base-Backbone interact. energy: -0.551
local terms energy: -601.030804
where:
bonds (distance) C4'-P energy: -113.599
bonds (distance) P-C4' energy: -115.166
flat angles C4'-P-C4' energy: -121.266
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -164.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1867.771600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.771600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.771600 (E_RNA)
where:
Base-Base interactions energy: -1281.111
where: short stacking energy: -549.911
Base-Backbone interact. energy: -0.790
local terms energy: -585.870704
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -101.617
flat angles C4'-P-C4' energy: -125.161
flat angles P-C4'-P energy: -79.246
tors. eta vs tors. theta energy: -171.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1708.612794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.612794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.612794 (E_RNA)
where:
Base-Base interactions energy: -1160.465
where: short stacking energy: -508.711
Base-Backbone interact. energy: -5.147
local terms energy: -543.000399
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -112.135
flat angles C4'-P-C4' energy: -117.353
flat angles P-C4'-P energy: -77.319
tors. eta vs tors. theta energy: -139.896
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1597.350814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.350814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.350814 (E_RNA)
where:
Base-Base interactions energy: -1060.017
where: short stacking energy: -465.963
Base-Backbone interact. energy: -0.866
local terms energy: -536.467294
where:
bonds (distance) C4'-P energy: -112.657
bonds (distance) P-C4' energy: -96.092
flat angles C4'-P-C4' energy: -110.461
flat angles P-C4'-P energy: -77.727
tors. eta vs tors. theta energy: -139.530
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: 107
Temperature: 1.150000
Total energy: -1350.230469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.230469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.230469 (E_RNA)
where:
Base-Base interactions energy: -886.232
where: short stacking energy: -388.798
Base-Backbone interact. energy: -1.821
local terms energy: -462.178176
where:
bonds (distance) C4'-P energy: -103.015
bonds (distance) P-C4' energy: -89.892
flat angles C4'-P-C4' energy: -107.914
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -86.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1187.369723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.369723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.369723 (E_RNA)
where:
Base-Base interactions energy: -770.407
where: short stacking energy: -341.414
Base-Backbone interact. energy: 0.370
local terms energy: -417.332548
where:
bonds (distance) C4'-P energy: -91.595
bonds (distance) P-C4' energy: -94.902
flat angles C4'-P-C4' energy: -105.979
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -81.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -626.679053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.679053 (E_RNA)
where:
Base-Base interactions energy: -284.938
where: short stacking energy: -154.147
Base-Backbone interact. energy: 1.571
local terms energy: -343.312418
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -111.460
flat angles C4'-P-C4' energy: -83.756
flat angles P-C4'-P energy: -56.260
tors. eta vs tors. theta energy: 7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -614.164069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.164069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.164069 (E_RNA)
where:
Base-Base interactions energy: -259.627
where: short stacking energy: -165.972
Base-Backbone interact. energy: -3.224
local terms energy: -351.313012
where:
bonds (distance) C4'-P energy: -85.513
bonds (distance) P-C4' energy: -120.472
flat angles C4'-P-C4' energy: -90.178
flat angles P-C4'-P energy: -59.094
tors. eta vs tors. theta energy: 3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -504.940903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.940903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.940903 (E_RNA)
where:
Base-Base interactions energy: -191.040
where: short stacking energy: -138.719
Base-Backbone interact. energy: 1.753
local terms energy: -315.653476
where:
bonds (distance) C4'-P energy: -103.234
bonds (distance) P-C4' energy: -97.061
flat angles C4'-P-C4' energy: -67.252
flat angles P-C4'-P energy: -60.236
tors. eta vs tors. theta energy: 12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2020.177342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.177342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.177342 (E_RNA)
where:
Base-Base interactions energy: -1378.566
where: short stacking energy: -592.252
Base-Backbone interact. energy: 1.693
local terms energy: -643.304513
where:
bonds (distance) C4'-P energy: -113.831
bonds (distance) P-C4' energy: -119.177
flat angles C4'-P-C4' energy: -138.474
flat angles P-C4'-P energy: -90.269
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: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1932.841659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.841659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.841659 (E_RNA)
where:
Base-Base interactions energy: -1288.499
where: short stacking energy: -587.514
Base-Backbone interact. energy: 3.495
local terms energy: -647.837482
where:
bonds (distance) C4'-P energy: -107.119
bonds (distance) P-C4' energy: -122.272
flat angles C4'-P-C4' energy: -145.290
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -183.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1886.539574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.539574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.539574 (E_RNA)
where:
Base-Base interactions energy: -1269.454
where: short stacking energy: -553.732
Base-Backbone interact. energy: -3.563
local terms energy: -613.521935
where:
bonds (distance) C4'-P energy: -114.780
bonds (distance) P-C4' energy: -117.943
flat angles C4'-P-C4' energy: -124.908
flat angles P-C4'-P energy: -87.711
tors. eta vs tors. theta energy: -168.181
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1660.113169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.113169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.113169 (E_RNA)
where:
Base-Base interactions energy: -1105.333
where: short stacking energy: -471.678
Base-Backbone interact. energy: -1.604
local terms energy: -553.176320
where:
bonds (distance) C4'-P energy: -128.255
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -111.208
flat angles P-C4'-P energy: -74.146
tors. eta vs tors. theta energy: -129.568
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: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1585.605895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.605895 (E_RNA)
where:
Base-Base interactions energy: -1035.371
where: short stacking energy: -465.273
Base-Backbone interact. energy: 5.245
local terms energy: -555.479428
where:
bonds (distance) C4'-P energy: -106.111
bonds (distance) P-C4' energy: -108.611
flat angles C4'-P-C4' energy: -114.767
flat angles P-C4'-P energy: -80.363
tors. eta vs tors. theta energy: -145.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1361.608211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.608211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.608211 (E_RNA)
where:
Base-Base interactions energy: -854.550
where: short stacking energy: -384.970
Base-Backbone interact. energy: -2.822
local terms energy: -504.235829
where:
bonds (distance) C4'-P energy: -114.282
bonds (distance) P-C4' energy: -125.221
flat angles C4'-P-C4' energy: -99.742
flat angles P-C4'-P energy: -78.450
tors. eta vs tors. theta energy: -86.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1196.181164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.181164 (E_RNA)
where:
Base-Base interactions energy: -720.206
where: short stacking energy: -302.248
Base-Backbone interact. energy: -0.207
local terms energy: -475.767355
where:
bonds (distance) C4'-P energy: -100.059
bonds (distance) P-C4' energy: -104.702
flat angles C4'-P-C4' energy: -120.075
flat angles P-C4'-P energy: -80.309
tors. eta vs tors. theta energy: -70.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -592.606955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.606955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.606955 (E_RNA)
where:
Base-Base interactions energy: -251.683
where: short stacking energy: -167.801
Base-Backbone interact. energy: -1.742
local terms energy: -339.181887
where:
bonds (distance) C4'-P energy: -89.109
bonds (distance) P-C4' energy: -116.810
flat angles C4'-P-C4' energy: -85.189
flat angles P-C4'-P energy: -57.548
tors. eta vs tors. theta energy: 9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -618.158466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.158466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.158466 (E_RNA)
where:
Base-Base interactions energy: -294.640
where: short stacking energy: -163.749
Base-Backbone interact. energy: 0.254
local terms energy: -323.772631
where:
bonds (distance) C4'-P energy: -112.595
bonds (distance) P-C4' energy: -96.175
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -46.406
tors. eta vs tors. theta energy: 13.042
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -452.245427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.245427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.245427 (E_RNA)
where:
Base-Base interactions energy: -140.208
where: short stacking energy: -126.865
Base-Backbone interact. energy: 0.080
local terms energy: -312.117868
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -118.128
flat angles C4'-P-C4' energy: -92.509
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: 33.426
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2058.869856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.869856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.869856 (E_RNA)
where:
Base-Base interactions energy: -1416.696
where: short stacking energy: -595.191
Base-Backbone interact. energy: -3.430
local terms energy: -638.744502
where:
bonds (distance) C4'-P energy: -124.181
bonds (distance) P-C4' energy: -109.628
flat angles C4'-P-C4' energy: -135.606
flat angles P-C4'-P energy: -91.096
tors. eta vs tors. theta energy: -178.233
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1954.142759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.142759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.142759 (E_RNA)
where:
Base-Base interactions energy: -1307.884
where: short stacking energy: -568.111
Base-Backbone interact. energy: -0.977
local terms energy: -645.281697
where:
bonds (distance) C4'-P energy: -118.711
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -140.480
flat angles P-C4'-P energy: -80.880
tors. eta vs tors. theta energy: -185.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1884.091604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.091604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.091604 (E_RNA)
where:
Base-Base interactions energy: -1275.761
where: short stacking energy: -552.087
Base-Backbone interact. energy: -2.726
local terms energy: -605.604082
where:
bonds (distance) C4'-P energy: -109.084
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -119.087
flat angles P-C4'-P energy: -93.982
tors. eta vs tors. theta energy: -164.460
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1717.226818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.226818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.226818 (E_RNA)
where:
Base-Base interactions energy: -1147.877
where: short stacking energy: -493.431
Base-Backbone interact. energy: 0.716
local terms energy: -570.066032
where:
bonds (distance) C4'-P energy: -117.345
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -130.504
flat angles P-C4'-P energy: -68.210
tors. eta vs tors. theta energy: -148.417
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: 109
Temperature: 1.100000
Total energy: -1581.651292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.651292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.651292 (E_RNA)
where:
Base-Base interactions energy: -1035.535
where: short stacking energy: -462.695
Base-Backbone interact. energy: -1.206
local terms energy: -544.910306
where:
bonds (distance) C4'-P energy: -98.600
bonds (distance) P-C4' energy: -118.457
flat angles C4'-P-C4' energy: -109.762
flat angles P-C4'-P energy: -72.791
tors. eta vs tors. theta energy: -145.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1375.454237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.454237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.454237 (E_RNA)
where:
Base-Base interactions energy: -857.049
where: short stacking energy: -396.426
Base-Backbone interact. energy: 1.795
local terms energy: -520.200139
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -104.652
flat angles C4'-P-C4' energy: -117.735
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -109.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1200.563246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.563246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.563246 (E_RNA)
where:
Base-Base interactions energy: -736.340
where: short stacking energy: -313.925
Base-Backbone interact. energy: -5.578
local terms energy: -458.645106
where:
bonds (distance) C4'-P energy: -95.879
bonds (distance) P-C4' energy: -101.800
flat angles C4'-P-C4' energy: -110.208
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -71.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -633.071560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.071560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.071560 (E_RNA)
where:
Base-Base interactions energy: -252.312
where: short stacking energy: -180.532
Base-Backbone interact. energy: 1.895
local terms energy: -382.654955
where:
bonds (distance) C4'-P energy: -95.145
bonds (distance) P-C4' energy: -116.304
flat angles C4'-P-C4' energy: -95.940
flat angles P-C4'-P energy: -61.998
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -668.176119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.176119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.176119 (E_RNA)
where:
Base-Base interactions energy: -334.401
where: short stacking energy: -185.925
Base-Backbone interact. energy: 5.940
local terms energy: -339.715621
where:
bonds (distance) C4'-P energy: -101.227
bonds (distance) P-C4' energy: -115.605
flat angles C4'-P-C4' energy: -83.753
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -481.678114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.678114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.678114 (E_RNA)
where:
Base-Base interactions energy: -180.887
where: short stacking energy: -117.560
Base-Backbone interact. energy: -0.722
local terms energy: -300.069398
where:
bonds (distance) C4'-P energy: -108.202
bonds (distance) P-C4' energy: -96.469
flat angles C4'-P-C4' energy: -75.449
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: 26.091
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: 110
Temperature: 0.900000
Total energy: -2072.099682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.099682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.099682 (E_RNA)
where:
Base-Base interactions energy: -1410.103
where: short stacking energy: -617.819
Base-Backbone interact. energy: -2.092
local terms energy: -659.904417
where:
bonds (distance) C4'-P energy: -131.292
bonds (distance) P-C4' energy: -133.687
flat angles C4'-P-C4' energy: -135.107
flat angles P-C4'-P energy: -76.565
tors. eta vs tors. theta energy: -183.253
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: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1951.015548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.015548 (E_RNA)
where:
Base-Base interactions energy: -1343.169
where: short stacking energy: -568.268
Base-Backbone interact. energy: -3.134
local terms energy: -604.712947
where:
bonds (distance) C4'-P energy: -108.507
bonds (distance) P-C4' energy: -114.979
flat angles C4'-P-C4' energy: -140.492
flat angles P-C4'-P energy: -71.818
tors. eta vs tors. theta energy: -168.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1893.189033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.189033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.189033 (E_RNA)
where:
Base-Base interactions energy: -1265.995
where: short stacking energy: -571.010
Base-Backbone interact. energy: -1.657
local terms energy: -625.537327
where:
bonds (distance) C4'-P energy: -111.071
bonds (distance) P-C4' energy: -116.534
flat angles C4'-P-C4' energy: -137.009
flat angles P-C4'-P energy: -88.965
tors. eta vs tors. theta energy: -171.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1724.384057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.384057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.384057 (E_RNA)
where:
Base-Base interactions energy: -1157.827
where: short stacking energy: -491.083
Base-Backbone interact. energy: -0.393
local terms energy: -566.164490
where:
bonds (distance) C4'-P energy: -112.683
bonds (distance) P-C4' energy: -106.825
flat angles C4'-P-C4' energy: -129.044
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -141.613
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: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1598.663239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.663239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.663239 (E_RNA)
where:
Base-Base interactions energy: -1037.362
where: short stacking energy: -470.864
Base-Backbone interact. energy: -2.836
local terms energy: -558.464904
where:
bonds (distance) C4'-P energy: -114.226
bonds (distance) P-C4' energy: -115.780
flat angles C4'-P-C4' energy: -109.039
flat angles P-C4'-P energy: -87.312
tors. eta vs tors. theta energy: -132.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1429.672984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.672984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.672984 (E_RNA)
where:
Base-Base interactions energy: -921.067
where: short stacking energy: -384.452
Base-Backbone interact. energy: -1.371
local terms energy: -507.235396
where:
bonds (distance) C4'-P energy: -101.925
bonds (distance) P-C4' energy: -114.651
flat angles C4'-P-C4' energy: -110.094
flat angles P-C4'-P energy: -81.981
tors. eta vs tors. theta energy: -98.584
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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1179.462964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.462964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.462964 (E_RNA)
where:
Base-Base interactions energy: -720.331
where: short stacking energy: -330.889
Base-Backbone interact. energy: -0.355
local terms energy: -458.777145
where:
bonds (distance) C4'-P energy: -105.412
bonds (distance) P-C4' energy: -106.437
flat angles C4'-P-C4' energy: -105.486
flat angles P-C4'-P energy: -74.434
tors. eta vs tors. theta energy: -67.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -656.497990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.497990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.497990 (E_RNA)
where:
Base-Base interactions energy: -269.823
where: short stacking energy: -212.328
Base-Backbone interact. energy: -2.613
local terms energy: -384.061562
where:
bonds (distance) C4'-P energy: -111.292
bonds (distance) P-C4' energy: -104.705
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -57.862
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -645.831925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.831925 (E_RNA)
where:
Base-Base interactions energy: -308.514
where: short stacking energy: -160.263
Base-Backbone interact. energy: -4.344
local terms energy: -332.973951
where:
bonds (distance) C4'-P energy: -101.503
bonds (distance) P-C4' energy: -96.224
flat angles C4'-P-C4' energy: -84.686
flat angles P-C4'-P energy: -58.403
tors. eta vs tors. theta energy: 7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -511.400486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.400486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.400486 (E_RNA)
where:
Base-Base interactions energy: -192.244
where: short stacking energy: -130.164
Base-Backbone interact. energy: 1.319
local terms energy: -320.475997
where:
bonds (distance) C4'-P energy: -102.741
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -94.441
flat angles P-C4'-P energy: -54.473
tors. eta vs tors. theta energy: 27.802
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: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2050.263357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.263357 (E_RNA)
where:
Base-Base interactions energy: -1393.826
where: short stacking energy: -594.082
Base-Backbone interact. energy: -1.316
local terms energy: -655.121079
where:
bonds (distance) C4'-P energy: -117.761
bonds (distance) P-C4' energy: -123.607
flat angles C4'-P-C4' energy: -139.940
flat angles P-C4'-P energy: -86.351
tors. eta vs tors. theta energy: -187.463
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: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1916.747352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.747352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.747352 (E_RNA)
where:
Base-Base interactions energy: -1293.540
where: short stacking energy: -524.970
Base-Backbone interact. energy: -0.681
local terms energy: -622.525825
where:
bonds (distance) C4'-P energy: -115.262
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -141.739
flat angles P-C4'-P energy: -87.072
tors. eta vs tors. theta energy: -158.131
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1869.218422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.218422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.218422 (E_RNA)
where:
Base-Base interactions energy: -1258.590
where: short stacking energy: -550.180
Base-Backbone interact. energy: -3.006
local terms energy: -607.622431
where:
bonds (distance) C4'-P energy: -113.014
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -129.133
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -167.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1741.290260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.290260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.290260 (E_RNA)
where:
Base-Base interactions energy: -1148.652
where: short stacking energy: -486.357
Base-Backbone interact. energy: -2.520
local terms energy: -590.118032
where:
bonds (distance) C4'-P energy: -109.184
bonds (distance) P-C4' energy: -115.426
flat angles C4'-P-C4' energy: -116.884
flat angles P-C4'-P energy: -92.968
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: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1606.469285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.469285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.469285 (E_RNA)
where:
Base-Base interactions energy: -1078.407
where: short stacking energy: -459.364
Base-Backbone interact. energy: 0.374
local terms energy: -528.435687
where:
bonds (distance) C4'-P energy: -108.810
bonds (distance) P-C4' energy: -95.454
flat angles C4'-P-C4' energy: -125.004
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -118.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1412.642619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.642619 (E_RNA)
where:
Base-Base interactions energy: -928.967
where: short stacking energy: -382.157
Base-Backbone interact. energy: 1.400
local terms energy: -485.076413
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -93.222
flat angles C4'-P-C4' energy: -109.090
flat angles P-C4'-P energy: -75.930
tors. eta vs tors. theta energy: -95.506
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: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1256.283060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.283060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.283060 (E_RNA)
where:
Base-Base interactions energy: -765.239
where: short stacking energy: -367.105
Base-Backbone interact. energy: -0.640
local terms energy: -490.404522
where:
bonds (distance) C4'-P energy: -103.606
bonds (distance) P-C4' energy: -102.582
flat angles C4'-P-C4' energy: -112.928
flat angles P-C4'-P energy: -83.504
tors. eta vs tors. theta energy: -87.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -711.811403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.811403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.811403 (E_RNA)
where:
Base-Base interactions energy: -345.786
where: short stacking energy: -191.312
Base-Backbone interact. energy: -1.289
local terms energy: -364.736325
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -112.625
flat angles C4'-P-C4' energy: -90.326
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -16.514
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: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -567.273400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.273400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.273400 (E_RNA)
where:
Base-Base interactions energy: -253.364
where: short stacking energy: -174.633
Base-Backbone interact. energy: 1.670
local terms energy: -315.578918
where:
bonds (distance) C4'-P energy: -85.953
bonds (distance) P-C4' energy: -103.921
flat angles C4'-P-C4' energy: -85.344
flat angles P-C4'-P energy: -50.436
tors. eta vs tors. theta energy: 10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -499.163588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.163588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.163588 (E_RNA)
where:
Base-Base interactions energy: -206.816
where: short stacking energy: -151.288
Base-Backbone interact. energy: 1.012
local terms energy: -293.359496
where:
bonds (distance) C4'-P energy: -85.989
bonds (distance) P-C4' energy: -109.206
flat angles C4'-P-C4' energy: -74.044
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: 15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2075.159600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.159600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.159600 (E_RNA)
where:
Base-Base interactions energy: -1393.821
where: short stacking energy: -616.945
Base-Backbone interact. energy: -4.978
local terms energy: -676.359719
where:
bonds (distance) C4'-P energy: -126.868
bonds (distance) P-C4' energy: -132.652
flat angles C4'-P-C4' energy: -135.211
flat angles P-C4'-P energy: -101.104
tors. eta vs tors. theta energy: -180.526
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: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1916.798281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.798281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.798281 (E_RNA)
where:
Base-Base interactions energy: -1308.023
where: short stacking energy: -543.325
Base-Backbone interact. energy: -2.080
local terms energy: -606.695601
where:
bonds (distance) C4'-P energy: -121.464
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -154.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1879.084836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.084836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.084836 (E_RNA)
where:
Base-Base interactions energy: -1273.868
where: short stacking energy: -516.392
Base-Backbone interact. energy: 0.083
local terms energy: -605.299145
where:
bonds (distance) C4'-P energy: -125.578
bonds (distance) P-C4' energy: -110.238
flat angles C4'-P-C4' energy: -127.978
flat angles P-C4'-P energy: -92.858
tors. eta vs tors. theta energy: -148.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1677.866616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.866616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.866616 (E_RNA)
where:
Base-Base interactions energy: -1137.121
where: short stacking energy: -492.821
Base-Backbone interact. energy: 2.305
local terms energy: -543.050509
where:
bonds (distance) C4'-P energy: -114.564
bonds (distance) P-C4' energy: -100.654
flat angles C4'-P-C4' energy: -119.062
flat angles P-C4'-P energy: -63.422
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: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1607.872376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.872376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.872376 (E_RNA)
where:
Base-Base interactions energy: -1072.931
where: short stacking energy: -484.835
Base-Backbone interact. energy: 1.599
local terms energy: -536.540658
where:
bonds (distance) C4'-P energy: -89.100
bonds (distance) P-C4' energy: -107.938
flat angles C4'-P-C4' energy: -121.469
flat angles P-C4'-P energy: -84.718
tors. eta vs tors. theta energy: -133.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1451.336174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.336174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.336174 (E_RNA)
where:
Base-Base interactions energy: -923.717
where: short stacking energy: -417.183
Base-Backbone interact. energy: -2.993
local terms energy: -524.626368
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -127.027
flat angles C4'-P-C4' energy: -119.425
flat angles P-C4'-P energy: -63.973
tors. eta vs tors. theta energy: -121.258
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: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1194.652984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.652984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.652984 (E_RNA)
where:
Base-Base interactions energy: -745.130
where: short stacking energy: -332.477
Base-Backbone interact. energy: 0.148
local terms energy: -449.670928
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -106.277
flat angles C4'-P-C4' energy: -110.217
flat angles P-C4'-P energy: -73.195
tors. eta vs tors. theta energy: -51.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -695.127029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.127029 (E_RNA)
where:
Base-Base interactions energy: -321.916
where: short stacking energy: -183.253
Base-Backbone interact. energy: -2.018
local terms energy: -371.192573
where:
bonds (distance) C4'-P energy: -96.803
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -106.286
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: 1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -629.974315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.974315 (E_RNA)
where:
Base-Base interactions energy: -287.758
where: short stacking energy: -180.161
Base-Backbone interact. energy: -1.412
local terms energy: -340.804480
where:
bonds (distance) C4'-P energy: -94.810
bonds (distance) P-C4' energy: -111.990
flat angles C4'-P-C4' energy: -77.808
flat angles P-C4'-P energy: -69.204
tors. eta vs tors. theta energy: 13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -474.480651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.480651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.480651 (E_RNA)
where:
Base-Base interactions energy: -204.747
where: short stacking energy: -122.559
Base-Backbone interact. energy: 0.261
local terms energy: -269.994661
where:
bonds (distance) C4'-P energy: -95.581
bonds (distance) P-C4' energy: -81.641
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -44.841
tors. eta vs tors. theta energy: 22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2076.206206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.206206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.206206 (E_RNA)
where:
Base-Base interactions energy: -1401.613
where: short stacking energy: -579.723
Base-Backbone interact. energy: -2.682
local terms energy: -671.911146
where:
bonds (distance) C4'-P energy: -121.276
bonds (distance) P-C4' energy: -138.921
flat angles C4'-P-C4' energy: -134.212
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -185.125
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: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1922.676667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.676667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.676667 (E_RNA)
where:
Base-Base interactions energy: -1291.855
where: short stacking energy: -533.434
Base-Backbone interact. energy: -1.916
local terms energy: -628.905863
where:
bonds (distance) C4'-P energy: -126.438
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -136.124
flat angles P-C4'-P energy: -86.191
tors. eta vs tors. theta energy: -161.169
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: 113
Temperature: 1.000000
Total energy: -1838.834558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.834558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.834558 (E_RNA)
where:
Base-Base interactions energy: -1220.755
where: short stacking energy: -538.023
Base-Backbone interact. energy: 1.101
local terms energy: -619.180604
where:
bonds (distance) C4'-P energy: -122.120
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -134.064
flat angles P-C4'-P energy: -83.601
tors. eta vs tors. theta energy: -162.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1692.350018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.350018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.350018 (E_RNA)
where:
Base-Base interactions energy: -1078.351
where: short stacking energy: -474.748
Base-Backbone interact. energy: 2.753
local terms energy: -616.751171
where:
bonds (distance) C4'-P energy: -119.631
bonds (distance) P-C4' energy: -119.695
flat angles C4'-P-C4' energy: -137.180
flat angles P-C4'-P energy: -87.777
tors. eta vs tors. theta energy: -152.469
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: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1586.816318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.816318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.816318 (E_RNA)
where:
Base-Base interactions energy: -1019.756
where: short stacking energy: -452.380
Base-Backbone interact. energy: 0.173
local terms energy: -567.232912
where:
bonds (distance) C4'-P energy: -120.165
bonds (distance) P-C4' energy: -111.241
flat angles C4'-P-C4' energy: -127.764
flat angles P-C4'-P energy: -86.798
tors. eta vs tors. theta energy: -121.265
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: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1410.362317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.362317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.362317 (E_RNA)
where:
Base-Base interactions energy: -918.972
where: short stacking energy: -390.005
Base-Backbone interact. energy: 0.276
local terms energy: -491.666543
where:
bonds (distance) C4'-P energy: -95.498
bonds (distance) P-C4' energy: -121.116
flat angles C4'-P-C4' energy: -113.363
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -97.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1238.832173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.832173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.832173 (E_RNA)
where:
Base-Base interactions energy: -793.250
where: short stacking energy: -336.196
Base-Backbone interact. energy: -0.336
local terms energy: -445.246325
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -103.732
flat angles C4'-P-C4' energy: -102.297
flat angles P-C4'-P energy: -55.315
tors. eta vs tors. theta energy: -68.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -734.420141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.420141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.420141 (E_RNA)
where:
Base-Base interactions energy: -389.678
where: short stacking energy: -207.476
Base-Backbone interact. energy: -2.531
local terms energy: -342.211241
where:
bonds (distance) C4'-P energy: -90.812
bonds (distance) P-C4' energy: -87.504
flat angles C4'-P-C4' energy: -105.514
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -11.685
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: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -583.187128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.187128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.187128 (E_RNA)
where:
Base-Base interactions energy: -225.067
where: short stacking energy: -151.108
Base-Backbone interact. energy: -1.329
local terms energy: -356.791309
where:
bonds (distance) C4'-P energy: -112.813
bonds (distance) P-C4' energy: -108.882
flat angles C4'-P-C4' energy: -81.503
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: 10.548
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: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -512.517179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.517179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.517179 (E_RNA)
where:
Base-Base interactions energy: -220.362
where: short stacking energy: -140.247
Base-Backbone interact. energy: -1.452
local terms energy: -290.702987
where:
bonds (distance) C4'-P energy: -93.814
bonds (distance) P-C4' energy: -85.542
flat angles C4'-P-C4' energy: -98.254
flat angles P-C4'-P energy: -40.662
tors. eta vs tors. theta energy: 27.569
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: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2049.651263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.651263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.651263 (E_RNA)
where:
Base-Base interactions energy: -1363.643
where: short stacking energy: -586.847
Base-Backbone interact. energy: -5.219
local terms energy: -680.788867
where:
bonds (distance) C4'-P energy: -131.510
bonds (distance) P-C4' energy: -140.328
flat angles C4'-P-C4' energy: -133.858
flat angles P-C4'-P energy: -99.276
tors. eta vs tors. theta energy: -175.816
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: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1953.307230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.307230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.307230 (E_RNA)
where:
Base-Base interactions energy: -1338.555
where: short stacking energy: -560.760
Base-Backbone interact. energy: 0.882
local terms energy: -615.633655
where:
bonds (distance) C4'-P energy: -127.204
bonds (distance) P-C4' energy: -114.162
flat angles C4'-P-C4' energy: -127.208
flat angles P-C4'-P energy: -80.803
tors. eta vs tors. theta energy: -166.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1860.061171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.061171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.061171 (E_RNA)
where:
Base-Base interactions energy: -1260.527
where: short stacking energy: -531.593
Base-Backbone interact. energy: 0.060
local terms energy: -599.594600
where:
bonds (distance) C4'-P energy: -96.768
bonds (distance) P-C4' energy: -127.202
flat angles C4'-P-C4' energy: -132.090
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -158.488
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: 114
Temperature: 1.050000
Total energy: -1717.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.373053 (E_RNA)
where:
Base-Base interactions energy: -1153.940
where: short stacking energy: -518.885
Base-Backbone interact. energy: -0.625
local terms energy: -562.808202
where:
bonds (distance) C4'-P energy: -102.077
bonds (distance) P-C4' energy: -100.575
flat angles C4'-P-C4' energy: -122.846
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -156.880
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1597.967920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.967920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.967920 (E_RNA)
where:
Base-Base interactions energy: -1057.093
where: short stacking energy: -463.568
Base-Backbone interact. energy: -1.294
local terms energy: -539.580943
where:
bonds (distance) C4'-P energy: -106.922
bonds (distance) P-C4' energy: -109.116
flat angles C4'-P-C4' energy: -131.281
flat angles P-C4'-P energy: -72.112
tors. eta vs tors. theta energy: -120.150
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: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1401.425664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.425664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.425664 (E_RNA)
where:
Base-Base interactions energy: -906.263
where: short stacking energy: -394.716
Base-Backbone interact. energy: -1.775
local terms energy: -493.387915
where:
bonds (distance) C4'-P energy: -86.042
bonds (distance) P-C4' energy: -122.665
flat angles C4'-P-C4' energy: -119.364
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -99.858
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1217.011814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.011814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.011814 (E_RNA)
where:
Base-Base interactions energy: -757.620
where: short stacking energy: -325.513
Base-Backbone interact. energy: 0.207
local terms energy: -459.598922
where:
bonds (distance) C4'-P energy: -118.125
bonds (distance) P-C4' energy: -112.802
flat angles C4'-P-C4' energy: -86.113
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -72.996
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: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -714.000873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.000873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.000873 (E_RNA)
where:
Base-Base interactions energy: -354.161
where: short stacking energy: -209.753
Base-Backbone interact. energy: -0.820
local terms energy: -359.019549
where:
bonds (distance) C4'-P energy: -90.220
bonds (distance) P-C4' energy: -81.087
flat angles C4'-P-C4' energy: -100.183
flat angles P-C4'-P energy: -67.190
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -577.296952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.296952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.296952 (E_RNA)
where:
Base-Base interactions energy: -219.024
where: short stacking energy: -153.166
Base-Backbone interact. energy: 1.120
local terms energy: -359.393234
where:
bonds (distance) C4'-P energy: -101.905
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -81.141
flat angles P-C4'-P energy: -63.392
tors. eta vs tors. theta energy: -0.612
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -561.702784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.702784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.702784 (E_RNA)
where:
Base-Base interactions energy: -250.756
where: short stacking energy: -145.094
Base-Backbone interact. energy: 7.463
local terms energy: -318.410015
where:
bonds (distance) C4'-P energy: -93.394
bonds (distance) P-C4' energy: -99.455
flat angles C4'-P-C4' energy: -91.250
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: 14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2017.049591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.049591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.049591 (E_RNA)
where:
Base-Base interactions energy: -1365.954
where: short stacking energy: -576.405
Base-Backbone interact. energy: 1.192
local terms energy: -652.286954
where:
bonds (distance) C4'-P energy: -122.706
bonds (distance) P-C4' energy: -127.010
flat angles C4'-P-C4' energy: -143.217
flat angles P-C4'-P energy: -82.369
tors. eta vs tors. theta energy: -176.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1946.469243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.469243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.469243 (E_RNA)
where:
Base-Base interactions energy: -1318.796
where: short stacking energy: -539.348
Base-Backbone interact. energy: -1.883
local terms energy: -625.789809
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -117.936
flat angles C4'-P-C4' energy: -128.634
flat angles P-C4'-P energy: -88.858
tors. eta vs tors. theta energy: -162.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1895.036591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.036591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.036591 (E_RNA)
where:
Base-Base interactions energy: -1267.542
where: short stacking energy: -554.011
Base-Backbone interact. energy: -3.306
local terms energy: -624.189396
where:
bonds (distance) C4'-P energy: -116.855
bonds (distance) P-C4' energy: -118.461
flat angles C4'-P-C4' energy: -130.292
flat angles P-C4'-P energy: -86.067
tors. eta vs tors. theta energy: -172.514
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: 115
Temperature: 1.050000
Total energy: -1758.016975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.016975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.016975 (E_RNA)
where:
Base-Base interactions energy: -1161.295
where: short stacking energy: -521.332
Base-Backbone interact. energy: -1.401
local terms energy: -595.321052
where:
bonds (distance) C4'-P energy: -121.931
bonds (distance) P-C4' energy: -106.122
flat angles C4'-P-C4' energy: -128.530
flat angles P-C4'-P energy: -84.513
tors. eta vs tors. theta energy: -154.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1612.603927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.603927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.603927 (E_RNA)
where:
Base-Base interactions energy: -1069.229
where: short stacking energy: -453.851
Base-Backbone interact. energy: 0.235
local terms energy: -543.610593
where:
bonds (distance) C4'-P energy: -120.761
bonds (distance) P-C4' energy: -106.947
flat angles C4'-P-C4' energy: -123.001
flat angles P-C4'-P energy: -70.657
tors. eta vs tors. theta energy: -122.245
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: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1374.569894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.569894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.569894 (E_RNA)
where:
Base-Base interactions energy: -879.645
where: short stacking energy: -393.377
Base-Backbone interact. energy: -1.340
local terms energy: -493.585506
where:
bonds (distance) C4'-P energy: -107.179
bonds (distance) P-C4' energy: -110.613
flat angles C4'-P-C4' energy: -113.646
flat angles P-C4'-P energy: -68.036
tors. eta vs tors. theta energy: -94.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1159.681982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.681982 (E_RNA)
where:
Base-Base interactions energy: -711.930
where: short stacking energy: -328.332
Base-Backbone interact. energy: -0.984
local terms energy: -446.768936
where:
bonds (distance) C4'-P energy: -99.180
bonds (distance) P-C4' energy: -113.517
flat angles C4'-P-C4' energy: -96.354
flat angles P-C4'-P energy: -62.669
tors. eta vs tors. theta energy: -75.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -733.868633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.868633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.868633 (E_RNA)
where:
Base-Base interactions energy: -337.500
where: short stacking energy: -207.765
Base-Backbone interact. energy: -2.528
local terms energy: -393.840415
where:
bonds (distance) C4'-P energy: -111.348
bonds (distance) P-C4' energy: -103.576
flat angles C4'-P-C4' energy: -99.065
flat angles P-C4'-P energy: -67.380
tors. eta vs tors. theta energy: -12.471
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -673.020970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.020970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.020970 (E_RNA)
where:
Base-Base interactions energy: -309.301
where: short stacking energy: -183.464
Base-Backbone interact. energy: -1.801
local terms energy: -361.919218
where:
bonds (distance) C4'-P energy: -112.172
bonds (distance) P-C4' energy: -114.022
flat angles C4'-P-C4' energy: -85.168
flat angles P-C4'-P energy: -54.514
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -586.927511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.927511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.927511 (E_RNA)
where:
Base-Base interactions energy: -266.530
where: short stacking energy: -170.080
Base-Backbone interact. energy: 3.780
local terms energy: -324.177936
where:
bonds (distance) C4'-P energy: -93.277
bonds (distance) P-C4' energy: -96.974
flat angles C4'-P-C4' energy: -85.218
flat angles P-C4'-P energy: -53.349
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: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2049.377998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.377998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.377998 (E_RNA)
where:
Base-Base interactions energy: -1392.946
where: short stacking energy: -586.928
Base-Backbone interact. energy: -2.065
local terms energy: -654.366609
where:
bonds (distance) C4'-P energy: -117.903
bonds (distance) P-C4' energy: -125.183
flat angles C4'-P-C4' energy: -142.747
flat angles P-C4'-P energy: -95.851
tors. eta vs tors. theta energy: -172.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1920.732911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.732911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.732911 (E_RNA)
where:
Base-Base interactions energy: -1305.138
where: short stacking energy: -534.849
Base-Backbone interact. energy: -0.275
local terms energy: -615.319732
where:
bonds (distance) C4'-P energy: -114.488
bonds (distance) P-C4' energy: -125.684
flat angles C4'-P-C4' energy: -132.299
flat angles P-C4'-P energy: -83.751
tors. eta vs tors. theta energy: -159.097
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1878.540525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.540525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.540525 (E_RNA)
where:
Base-Base interactions energy: -1276.843
where: short stacking energy: -571.949
Base-Backbone interact. energy: -1.814
local terms energy: -599.883538
where:
bonds (distance) C4'-P energy: -111.998
bonds (distance) P-C4' energy: -113.209
flat angles C4'-P-C4' energy: -123.124
flat angles P-C4'-P energy: -82.600
tors. eta vs tors. theta energy: -168.953
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: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1710.204425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.204425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.204425 (E_RNA)
where:
Base-Base interactions energy: -1137.075
where: short stacking energy: -476.351
Base-Backbone interact. energy: -1.885
local terms energy: -571.244508
where:
bonds (distance) C4'-P energy: -117.297
bonds (distance) P-C4' energy: -101.422
flat angles C4'-P-C4' energy: -125.087
flat angles P-C4'-P energy: -95.047
tors. eta vs tors. theta energy: -132.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1558.740456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.740456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.740456 (E_RNA)
where:
Base-Base interactions energy: -1023.057
where: short stacking energy: -435.184
Base-Backbone interact. energy: 1.384
local terms energy: -537.067698
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -110.207
flat angles C4'-P-C4' energy: -116.419
flat angles P-C4'-P energy: -87.642
tors. eta vs tors. theta energy: -120.608
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: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1397.134500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.134500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.134500 (E_RNA)
where:
Base-Base interactions energy: -884.550
where: short stacking energy: -396.139
Base-Backbone interact. energy: 0.018
local terms energy: -512.602483
where:
bonds (distance) C4'-P energy: -106.307
bonds (distance) P-C4' energy: -112.015
flat angles C4'-P-C4' energy: -108.289
flat angles P-C4'-P energy: -82.829
tors. eta vs tors. theta energy: -103.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1103.132557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.132557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.132557 (E_RNA)
where:
Base-Base interactions energy: -678.890
where: short stacking energy: -321.027
Base-Backbone interact. energy: 1.417
local terms energy: -425.659606
where:
bonds (distance) C4'-P energy: -110.002
bonds (distance) P-C4' energy: -99.871
flat angles C4'-P-C4' energy: -91.464
flat angles P-C4'-P energy: -54.942
tors. eta vs tors. theta energy: -69.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -750.443062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.443062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.443062 (E_RNA)
where:
Base-Base interactions energy: -387.913
where: short stacking energy: -219.247
Base-Backbone interact. energy: 1.877
local terms energy: -364.406302
where:
bonds (distance) C4'-P energy: -100.881
bonds (distance) P-C4' energy: -111.975
flat angles C4'-P-C4' energy: -74.285
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -27.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -616.861235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.861235 (E_RNA)
where:
Base-Base interactions energy: -291.362
where: short stacking energy: -170.770
Base-Backbone interact. energy: 5.757
local terms energy: -331.256557
where:
bonds (distance) C4'-P energy: -87.717
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -84.873
flat angles P-C4'-P energy: -55.479
tors. eta vs tors. theta energy: 7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -526.677950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.677950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.677950 (E_RNA)
where:
Base-Base interactions energy: -202.599
where: short stacking energy: -126.617
Base-Backbone interact. energy: -1.517
local terms energy: -322.561627
where:
bonds (distance) C4'-P energy: -86.726
bonds (distance) P-C4' energy: -117.144
flat angles C4'-P-C4' energy: -90.364
flat angles P-C4'-P energy: -56.017
tors. eta vs tors. theta energy: 27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2041.758935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.758935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.758935 (E_RNA)
where:
Base-Base interactions energy: -1384.242
where: short stacking energy: -587.796
Base-Backbone interact. energy: -1.097
local terms energy: -656.419958
where:
bonds (distance) C4'-P energy: -131.857
bonds (distance) P-C4' energy: -129.114
flat angles C4'-P-C4' energy: -129.929
flat angles P-C4'-P energy: -85.769
tors. eta vs tors. theta energy: -179.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1936.445590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.445590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.445590 (E_RNA)
where:
Base-Base interactions energy: -1331.617
where: short stacking energy: -535.224
Base-Backbone interact. energy: -1.172
local terms energy: -603.656770
where:
bonds (distance) C4'-P energy: -114.906
bonds (distance) P-C4' energy: -114.507
flat angles C4'-P-C4' energy: -130.217
flat angles P-C4'-P energy: -80.765
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1881.360960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.360960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.360960 (E_RNA)
where:
Base-Base interactions energy: -1267.959
where: short stacking energy: -551.100
Base-Backbone interact. energy: -1.902
local terms energy: -611.499745
where:
bonds (distance) C4'-P energy: -106.825
bonds (distance) P-C4' energy: -115.443
flat angles C4'-P-C4' energy: -131.411
flat angles P-C4'-P energy: -85.630
tors. eta vs tors. theta energy: -172.190
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: 117
Temperature: 1.050000
Total energy: -1771.584431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.584431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.584431 (E_RNA)
where:
Base-Base interactions energy: -1179.426
where: short stacking energy: -483.898
Base-Backbone interact. energy: -2.285
local terms energy: -589.872674
where:
bonds (distance) C4'-P energy: -127.432
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -128.111
flat angles P-C4'-P energy: -82.134
tors. eta vs tors. theta energy: -146.990
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1573.834743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.834743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.834743 (E_RNA)
where:
Base-Base interactions energy: -1026.666
where: short stacking energy: -443.955
Base-Backbone interact. energy: -1.597
local terms energy: -545.571554
where:
bonds (distance) C4'-P energy: -109.267
bonds (distance) P-C4' energy: -114.972
flat angles C4'-P-C4' energy: -125.922
flat angles P-C4'-P energy: -69.796
tors. eta vs tors. theta energy: -125.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1392.510499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.510499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.510499 (E_RNA)
where:
Base-Base interactions energy: -891.456
where: short stacking energy: -383.618
Base-Backbone interact. energy: -2.640
local terms energy: -498.414136
where:
bonds (distance) C4'-P energy: -108.792
bonds (distance) P-C4' energy: -105.138
flat angles C4'-P-C4' energy: -119.721
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -87.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1121.184599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.184599 (E_RNA)
where:
Base-Base interactions energy: -659.013
where: short stacking energy: -323.212
Base-Backbone interact. energy: 2.621
local terms energy: -464.792480
where:
bonds (distance) C4'-P energy: -107.383
bonds (distance) P-C4' energy: -107.603
flat angles C4'-P-C4' energy: -111.732
flat angles P-C4'-P energy: -64.752
tors. eta vs tors. theta energy: -73.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -643.803796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.803796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.803796 (E_RNA)
where:
Base-Base interactions energy: -275.130
where: short stacking energy: -168.880
Base-Backbone interact. energy: -1.774
local terms energy: -366.899771
where:
bonds (distance) C4'-P energy: -111.010
bonds (distance) P-C4' energy: -90.886
flat angles C4'-P-C4' energy: -100.417
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: 5.342
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -645.662099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.662099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.662099 (E_RNA)
where:
Base-Base interactions energy: -290.743
where: short stacking energy: -151.577
Base-Backbone interact. energy: -3.210
local terms energy: -351.708986
where:
bonds (distance) C4'-P energy: -107.322
bonds (distance) P-C4' energy: -119.404
flat angles C4'-P-C4' energy: -110.763
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: 23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -544.365404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.365404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.365404 (E_RNA)
where:
Base-Base interactions energy: -223.017
where: short stacking energy: -137.480
Base-Backbone interact. energy: 1.073
local terms energy: -322.422105
where:
bonds (distance) C4'-P energy: -85.314
bonds (distance) P-C4' energy: -106.920
flat angles C4'-P-C4' energy: -97.944
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: 16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2028.205923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.205923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.205923 (E_RNA)
where:
Base-Base interactions energy: -1383.999
where: short stacking energy: -602.056
Base-Backbone interact. energy: -2.836
local terms energy: -641.371061
where:
bonds (distance) C4'-P energy: -104.264
bonds (distance) P-C4' energy: -120.085
flat angles C4'-P-C4' energy: -135.246
flat angles P-C4'-P energy: -95.851
tors. eta vs tors. theta energy: -185.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1963.355131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.355131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.355131 (E_RNA)
where:
Base-Base interactions energy: -1361.867
where: short stacking energy: -567.391
Base-Backbone interact. energy: 0.394
local terms energy: -601.882647
where:
bonds (distance) C4'-P energy: -112.607
bonds (distance) P-C4' energy: -116.428
flat angles C4'-P-C4' energy: -129.759
flat angles P-C4'-P energy: -73.763
tors. eta vs tors. theta energy: -169.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1866.783376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.783376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.783376 (E_RNA)
where:
Base-Base interactions energy: -1270.977
where: short stacking energy: -555.585
Base-Backbone interact. energy: -4.507
local terms energy: -591.299335
where:
bonds (distance) C4'-P energy: -106.735
bonds (distance) P-C4' energy: -120.137
flat angles C4'-P-C4' energy: -124.190
flat angles P-C4'-P energy: -79.928
tors. eta vs tors. theta energy: -160.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1759.770070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.770070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.770070 (E_RNA)
where:
Base-Base interactions energy: -1208.382
where: short stacking energy: -471.813
Base-Backbone interact. energy: -0.190
local terms energy: -551.197485
where:
bonds (distance) C4'-P energy: -113.858
bonds (distance) P-C4' energy: -93.985
flat angles C4'-P-C4' energy: -130.301
flat angles P-C4'-P energy: -71.410
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: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1550.504686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.504686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.504686 (E_RNA)
where:
Base-Base interactions energy: -973.972
where: short stacking energy: -446.307
Base-Backbone interact. energy: -0.704
local terms energy: -575.828574
where:
bonds (distance) C4'-P energy: -120.381
bonds (distance) P-C4' energy: -107.431
flat angles C4'-P-C4' energy: -125.030
flat angles P-C4'-P energy: -88.195
tors. eta vs tors. theta energy: -134.792
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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1440.242010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.242010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.242010 (E_RNA)
where:
Base-Base interactions energy: -953.370
where: short stacking energy: -396.275
Base-Backbone interact. energy: -1.620
local terms energy: -485.251986
where:
bonds (distance) C4'-P energy: -99.318
bonds (distance) P-C4' energy: -98.237
flat angles C4'-P-C4' energy: -115.313
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -106.317
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -967.921181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.921181 (E_RNA)
where:
Base-Base interactions energy: -564.461
where: short stacking energy: -274.797
Base-Backbone interact. energy: 1.147
local terms energy: -404.607094
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -25.382
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: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -731.386559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.386559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.386559 (E_RNA)
where:
Base-Base interactions energy: -336.634
where: short stacking energy: -214.388
Base-Backbone interact. energy: -1.028
local terms energy: -393.724047
where:
bonds (distance) C4'-P energy: -94.979
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -103.886
flat angles P-C4'-P energy: -62.928
tors. eta vs tors. theta energy: -21.115
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: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -623.382801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.382801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.382801 (E_RNA)
where:
Base-Base interactions energy: -316.788
where: short stacking energy: -174.568
Base-Backbone interact. energy: -1.226
local terms energy: -305.368779
where:
bonds (distance) C4'-P energy: -93.965
bonds (distance) P-C4' energy: -103.345
flat angles C4'-P-C4' energy: -81.944
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: 6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -482.975999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.975999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.975999 (E_RNA)
where:
Base-Base interactions energy: -159.426
where: short stacking energy: -121.815
Base-Backbone interact. energy: 1.496
local terms energy: -325.045518
where:
bonds (distance) C4'-P energy: -108.037
bonds (distance) P-C4' energy: -102.786
flat angles C4'-P-C4' energy: -68.288
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: 21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2029.180106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.180106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.180106 (E_RNA)
where:
Base-Base interactions energy: -1379.079
where: short stacking energy: -590.634
Base-Backbone interact. energy: 0.743
local terms energy: -650.844000
where:
bonds (distance) C4'-P energy: -127.827
bonds (distance) P-C4' energy: -120.887
flat angles C4'-P-C4' energy: -144.226
flat angles P-C4'-P energy: -93.785
tors. eta vs tors. theta energy: -164.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1960.128933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.128933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.128933 (E_RNA)
where:
Base-Base interactions energy: -1365.849
where: short stacking energy: -575.679
Base-Backbone interact. energy: -1.767
local terms energy: -592.512784
where:
bonds (distance) C4'-P energy: -109.971
bonds (distance) P-C4' energy: -121.879
flat angles C4'-P-C4' energy: -126.022
flat angles P-C4'-P energy: -77.870
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1888.354369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.354369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.354369 (E_RNA)
where:
Base-Base interactions energy: -1273.379
where: short stacking energy: -576.652
Base-Backbone interact. energy: -1.363
local terms energy: -613.612383
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -116.289
flat angles C4'-P-C4' energy: -133.144
flat angles P-C4'-P energy: -86.342
tors. eta vs tors. theta energy: -166.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1747.987312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.987312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.987312 (E_RNA)
where:
Base-Base interactions energy: -1158.053
where: short stacking energy: -475.241
Base-Backbone interact. energy: -0.430
local terms energy: -589.504287
where:
bonds (distance) C4'-P energy: -111.812
bonds (distance) P-C4' energy: -118.056
flat angles C4'-P-C4' energy: -122.313
flat angles P-C4'-P energy: -94.271
tors. eta vs tors. theta energy: -143.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1551.035276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.035276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.035276 (E_RNA)
where:
Base-Base interactions energy: -1023.525
where: short stacking energy: -437.224
Base-Backbone interact. energy: 0.116
local terms energy: -527.626541
where:
bonds (distance) C4'-P energy: -102.419
bonds (distance) P-C4' energy: -107.773
flat angles C4'-P-C4' energy: -130.373
flat angles P-C4'-P energy: -71.970
tors. eta vs tors. theta energy: -115.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1367.533554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.533554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.533554 (E_RNA)
where:
Base-Base interactions energy: -860.563
where: short stacking energy: -376.185
Base-Backbone interact. energy: 2.291
local terms energy: -509.261490
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -97.838
flat angles C4'-P-C4' energy: -122.880
flat angles P-C4'-P energy: -69.453
tors. eta vs tors. theta energy: -93.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -976.014426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.014426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.014426 (E_RNA)
where:
Base-Base interactions energy: -572.867
where: short stacking energy: -267.585
Base-Backbone interact. energy: -2.160
local terms energy: -400.987708
where:
bonds (distance) C4'-P energy: -107.807
bonds (distance) P-C4' energy: -119.491
flat angles C4'-P-C4' energy: -89.636
flat angles P-C4'-P energy: -59.568
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -657.021311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.021311 (E_RNA)
where:
Base-Base interactions energy: -315.192
where: short stacking energy: -184.241
Base-Backbone interact. energy: -1.263
local terms energy: -340.566573
where:
bonds (distance) C4'-P energy: -67.504
bonds (distance) P-C4' energy: -113.397
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -58.696
tors. eta vs tors. theta energy: -0.858
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: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -620.100398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.100398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.100398 (E_RNA)
where:
Base-Base interactions energy: -299.979
where: short stacking energy: -176.135
Base-Backbone interact. energy: -2.067
local terms energy: -318.054806
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -119.136
flat angles C4'-P-C4' energy: -84.017
flat angles P-C4'-P energy: -52.095
tors. eta vs tors. theta energy: 1.623
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: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -458.839907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.839907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.839907 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -124.933
Base-Backbone interact. energy: 4.964
local terms energy: -313.957653
where:
bonds (distance) C4'-P energy: -97.090
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -88.008
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: 18.934
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: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2047.419323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.419323 (E_RNA)
where:
Base-Base interactions energy: -1364.476
where: short stacking energy: -585.464
Base-Backbone interact. energy: -2.577
local terms energy: -680.365729
where:
bonds (distance) C4'-P energy: -131.792
bonds (distance) P-C4' energy: -127.706
flat angles C4'-P-C4' energy: -141.470
flat angles P-C4'-P energy: -96.408
tors. eta vs tors. theta energy: -182.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1974.477810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.477810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.477810 (E_RNA)
where:
Base-Base interactions energy: -1353.885
where: short stacking energy: -577.150
Base-Backbone interact. energy: -0.401
local terms energy: -620.191762
where:
bonds (distance) C4'-P energy: -109.261
bonds (distance) P-C4' energy: -115.144
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -87.156
tors. eta vs tors. theta energy: -174.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1890.254743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.254743 (E_RNA)
where:
Base-Base interactions energy: -1244.617
where: short stacking energy: -535.571
Base-Backbone interact. energy: -2.359
local terms energy: -643.278883
where:
bonds (distance) C4'-P energy: -113.149
bonds (distance) P-C4' energy: -122.103
flat angles C4'-P-C4' energy: -137.632
flat angles P-C4'-P energy: -101.541
tors. eta vs tors. theta energy: -168.853
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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1748.535368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.535368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.535368 (E_RNA)
where:
Base-Base interactions energy: -1182.719
where: short stacking energy: -492.654
Base-Backbone interact. energy: -3.062
local terms energy: -562.753887
where:
bonds (distance) C4'-P energy: -122.981
bonds (distance) P-C4' energy: -103.295
flat angles C4'-P-C4' energy: -124.470
flat angles P-C4'-P energy: -77.337
tors. eta vs tors. theta energy: -134.671
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: 120
Temperature: 1.100000
Total energy: -1566.273594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.273594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.273594 (E_RNA)
where:
Base-Base interactions energy: -1032.078
where: short stacking energy: -451.584
Base-Backbone interact. energy: -0.782
local terms energy: -533.413116
where:
bonds (distance) C4'-P energy: -120.088
bonds (distance) P-C4' energy: -101.903
flat angles C4'-P-C4' energy: -123.467
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -120.209
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1369.526811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.526811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.526811 (E_RNA)
where:
Base-Base interactions energy: -876.208
where: short stacking energy: -389.285
Base-Backbone interact. energy: 2.333
local terms energy: -495.651789
where:
bonds (distance) C4'-P energy: -115.940
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -105.886
flat angles P-C4'-P energy: -70.939
tors. eta vs tors. theta energy: -99.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1010.153479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.153479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.153479 (E_RNA)
where:
Base-Base interactions energy: -601.240
where: short stacking energy: -292.436
Base-Backbone interact. energy: -3.144
local terms energy: -405.768718
where:
bonds (distance) C4'-P energy: -108.714
bonds (distance) P-C4' energy: -110.519
flat angles C4'-P-C4' energy: -80.173
flat angles P-C4'-P energy: -72.696
tors. eta vs tors. theta energy: -33.666
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -649.747518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.747518 (E_RNA)
where:
Base-Base interactions energy: -303.344
where: short stacking energy: -216.220
Base-Backbone interact. energy: 4.615
local terms energy: -351.017971
where:
bonds (distance) C4'-P energy: -108.096
bonds (distance) P-C4' energy: -114.060
flat angles C4'-P-C4' energy: -96.992
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -4.187
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: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -642.410084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.410084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.410084 (E_RNA)
where:
Base-Base interactions energy: -315.516
where: short stacking energy: -176.350
Base-Backbone interact. energy: -0.765
local terms energy: -326.128629
where:
bonds (distance) C4'-P energy: -101.563
bonds (distance) P-C4' energy: -96.809
flat angles C4'-P-C4' energy: -82.486
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -456.763585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.763585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.763585 (E_RNA)
where:
Base-Base interactions energy: -157.982
where: short stacking energy: -131.353
Base-Backbone interact. energy: 0.159
local terms energy: -298.941011
where:
bonds (distance) C4'-P energy: -93.832
bonds (distance) P-C4' energy: -101.290
flat angles C4'-P-C4' energy: -82.181
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: 14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2031.456672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.456672 (E_RNA)
where:
Base-Base interactions energy: -1365.619
where: short stacking energy: -576.034
Base-Backbone interact. energy: -4.389
local terms energy: -661.448611
where:
bonds (distance) C4'-P energy: -126.499
bonds (distance) P-C4' energy: -124.027
flat angles C4'-P-C4' energy: -134.658
flat angles P-C4'-P energy: -100.647
tors. eta vs tors. theta energy: -175.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1911.216467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.216467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.216467 (E_RNA)
where:
Base-Base interactions energy: -1283.810
where: short stacking energy: -528.506
Base-Backbone interact. energy: 3.217
local terms energy: -630.622905
where:
bonds (distance) C4'-P energy: -113.898
bonds (distance) P-C4' energy: -135.414
flat angles C4'-P-C4' energy: -122.666
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -169.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1836.091390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.091390 (E_RNA)
where:
Base-Base interactions energy: -1254.491
where: short stacking energy: -545.448
Base-Backbone interact. energy: -1.457
local terms energy: -580.143192
where:
bonds (distance) C4'-P energy: -114.006
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -125.258
flat angles P-C4'-P energy: -75.692
tors. eta vs tors. theta energy: -153.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1782.320211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.320211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.320211 (E_RNA)
where:
Base-Base interactions energy: -1218.918
where: short stacking energy: -500.960
Base-Backbone interact. energy: -2.504
local terms energy: -560.898492
where:
bonds (distance) C4'-P energy: -96.949
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -125.697
flat angles P-C4'-P energy: -87.615
tors. eta vs tors. theta energy: -143.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1557.466693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.466693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.466693 (E_RNA)
where:
Base-Base interactions energy: -1014.846
where: short stacking energy: -452.578
Base-Backbone interact. energy: 3.318
local terms energy: -545.939111
where:
bonds (distance) C4'-P energy: -109.501
bonds (distance) P-C4' energy: -94.713
flat angles C4'-P-C4' energy: -121.764
flat angles P-C4'-P energy: -88.195
tors. eta vs tors. theta energy: -131.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1322.507034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.507034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.507034 (E_RNA)
where:
Base-Base interactions energy: -828.362
where: short stacking energy: -381.066
Base-Backbone interact. energy: -2.313
local terms energy: -491.832062
where:
bonds (distance) C4'-P energy: -106.060
bonds (distance) P-C4' energy: -106.746
flat angles C4'-P-C4' energy: -123.941
flat angles P-C4'-P energy: -63.748
tors. eta vs tors. theta energy: -91.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1027.588038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.588038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.588038 (E_RNA)
where:
Base-Base interactions energy: -595.636
where: short stacking energy: -279.887
Base-Backbone interact. energy: -1.920
local terms energy: -430.032115
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -123.282
flat angles C4'-P-C4' energy: -104.592
flat angles P-C4'-P energy: -59.481
tors. eta vs tors. theta energy: -36.387
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: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -714.047579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.047579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.047579 (E_RNA)
where:
Base-Base interactions energy: -375.359
where: short stacking energy: -192.115
Base-Backbone interact. energy: 1.349
local terms energy: -340.038270
where:
bonds (distance) C4'-P energy: -107.416
bonds (distance) P-C4' energy: -102.072
flat angles C4'-P-C4' energy: -82.715
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -597.797522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.797522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.797522 (E_RNA)
where:
Base-Base interactions energy: -247.310
where: short stacking energy: -150.218
Base-Backbone interact. energy: -1.415
local terms energy: -349.073312
where:
bonds (distance) C4'-P energy: -99.564
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -94.902
flat angles P-C4'-P energy: -61.252
tors. eta vs tors. theta energy: 6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -527.043861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.043861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.043861 (E_RNA)
where:
Base-Base interactions energy: -208.122
where: short stacking energy: -141.336
Base-Backbone interact. energy: 3.392
local terms energy: -322.313333
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -104.948
flat angles C4'-P-C4' energy: -80.883
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2018.036025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.036025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.036025 (E_RNA)
where:
Base-Base interactions energy: -1351.500
where: short stacking energy: -594.653
Base-Backbone interact. energy: -3.858
local terms energy: -662.678117
where:
bonds (distance) C4'-P energy: -115.013
bonds (distance) P-C4' energy: -134.311
flat angles C4'-P-C4' energy: -143.704
flat angles P-C4'-P energy: -92.088
tors. eta vs tors. theta energy: -177.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1948.748170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.748170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.748170 (E_RNA)
where:
Base-Base interactions energy: -1295.827
where: short stacking energy: -547.897
Base-Backbone interact. energy: -1.056
local terms energy: -651.865831
where:
bonds (distance) C4'-P energy: -134.643
bonds (distance) P-C4' energy: -124.286
flat angles C4'-P-C4' energy: -135.693
flat angles P-C4'-P energy: -92.216
tors. eta vs tors. theta energy: -165.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1856.263110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.263110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.263110 (E_RNA)
where:
Base-Base interactions energy: -1288.654
where: short stacking energy: -525.452
Base-Backbone interact. energy: 1.329
local terms energy: -568.937927
where:
bonds (distance) C4'-P energy: -112.240
bonds (distance) P-C4' energy: -94.771
flat angles C4'-P-C4' energy: -128.387
flat angles P-C4'-P energy: -73.988
tors. eta vs tors. theta energy: -159.553
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: 122
Temperature: 1.050000
Total energy: -1797.418661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.418661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.418661 (E_RNA)
where:
Base-Base interactions energy: -1201.142
where: short stacking energy: -472.856
Base-Backbone interact. energy: -2.270
local terms energy: -594.006487
where:
bonds (distance) C4'-P energy: -119.394
bonds (distance) P-C4' energy: -116.405
flat angles C4'-P-C4' energy: -131.908
flat angles P-C4'-P energy: -86.662
tors. eta vs tors. theta energy: -139.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1617.004068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.004068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.004068 (E_RNA)
where:
Base-Base interactions energy: -1069.028
where: short stacking energy: -434.818
Base-Backbone interact. energy: -0.827
local terms energy: -547.148600
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -123.811
flat angles P-C4'-P energy: -67.566
tors. eta vs tors. theta energy: -128.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1276.777636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.777636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.777636 (E_RNA)
where:
Base-Base interactions energy: -800.302
where: short stacking energy: -363.368
Base-Backbone interact. energy: 1.073
local terms energy: -477.548153
where:
bonds (distance) C4'-P energy: -101.470
bonds (distance) P-C4' energy: -107.031
flat angles C4'-P-C4' energy: -104.655
flat angles P-C4'-P energy: -84.440
tors. eta vs tors. theta energy: -79.951
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: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1014.113956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.113956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.113956 (E_RNA)
where:
Base-Base interactions energy: -560.716
where: short stacking energy: -267.615
Base-Backbone interact. energy: -0.656
local terms energy: -452.741921
where:
bonds (distance) C4'-P energy: -110.650
bonds (distance) P-C4' energy: -104.718
flat angles C4'-P-C4' energy: -104.092
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -48.551
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -700.277271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.277271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.277271 (E_RNA)
where:
Base-Base interactions energy: -339.231
where: short stacking energy: -179.526
Base-Backbone interact. energy: 1.149
local terms energy: -362.195395
where:
bonds (distance) C4'-P energy: -110.873
bonds (distance) P-C4' energy: -94.635
flat angles C4'-P-C4' energy: -96.768
flat angles P-C4'-P energy: -56.959
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -604.849059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.849059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.849059 (E_RNA)
where:
Base-Base interactions energy: -268.504
where: short stacking energy: -148.409
Base-Backbone interact. energy: 14.991
local terms energy: -351.335561
where:
bonds (distance) C4'-P energy: -101.758
bonds (distance) P-C4' energy: -108.103
flat angles C4'-P-C4' energy: -107.377
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: 11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -565.395732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.395732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.395732 (E_RNA)
where:
Base-Base interactions energy: -237.326
where: short stacking energy: -141.609
Base-Backbone interact. energy: 0.245
local terms energy: -328.314788
where:
bonds (distance) C4'-P energy: -91.210
bonds (distance) P-C4' energy: -110.465
flat angles C4'-P-C4' energy: -88.779
flat angles P-C4'-P energy: -56.335
tors. eta vs tors. theta energy: 18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2063.356207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.356207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.356207 (E_RNA)
where:
Base-Base interactions energy: -1417.200
where: short stacking energy: -602.770
Base-Backbone interact. energy: -3.129
local terms energy: -643.027243
where:
bonds (distance) C4'-P energy: -129.635
bonds (distance) P-C4' energy: -119.665
flat angles C4'-P-C4' energy: -138.661
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -176.524
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: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1935.933944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.933944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.933944 (E_RNA)
where:
Base-Base interactions energy: -1343.816
where: short stacking energy: -532.664
Base-Backbone interact. energy: -0.470
local terms energy: -591.648184
where:
bonds (distance) C4'-P energy: -109.746
bonds (distance) P-C4' energy: -99.924
flat angles C4'-P-C4' energy: -136.611
flat angles P-C4'-P energy: -90.535
tors. eta vs tors. theta energy: -154.831
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: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1840.666157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.666157 (E_RNA)
where:
Base-Base interactions energy: -1251.854
where: short stacking energy: -519.416
Base-Backbone interact. energy: 1.530
local terms energy: -590.342075
where:
bonds (distance) C4'-P energy: -115.680
bonds (distance) P-C4' energy: -122.166
flat angles C4'-P-C4' energy: -128.762
flat angles P-C4'-P energy: -75.014
tors. eta vs tors. theta energy: -148.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1797.302939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.302939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.302939 (E_RNA)
where:
Base-Base interactions energy: -1241.761
where: short stacking energy: -495.918
Base-Backbone interact. energy: -3.214
local terms energy: -552.327440
where:
bonds (distance) C4'-P energy: -114.318
bonds (distance) P-C4' energy: -107.420
flat angles C4'-P-C4' energy: -120.892
flat angles P-C4'-P energy: -67.900
tors. eta vs tors. theta energy: -141.797
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: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1622.453418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.453418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.453418 (E_RNA)
where:
Base-Base interactions energy: -1073.356
where: short stacking energy: -476.478
Base-Backbone interact. energy: 0.020
local terms energy: -549.118133
where:
bonds (distance) C4'-P energy: -110.818
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -123.077
flat angles P-C4'-P energy: -75.916
tors. eta vs tors. theta energy: -131.807
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: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1285.012681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.012681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.012681 (E_RNA)
where:
Base-Base interactions energy: -801.603
where: short stacking energy: -366.158
Base-Backbone interact. energy: 0.752
local terms energy: -484.161556
where:
bonds (distance) C4'-P energy: -108.230
bonds (distance) P-C4' energy: -89.432
flat angles C4'-P-C4' energy: -114.630
flat angles P-C4'-P energy: -80.396
tors. eta vs tors. theta energy: -91.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1101.318711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.318711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.318711 (E_RNA)
where:
Base-Base interactions energy: -670.378
where: short stacking energy: -348.362
Base-Backbone interact. energy: -0.038
local terms energy: -430.902774
where:
bonds (distance) C4'-P energy: -104.414
bonds (distance) P-C4' energy: -90.015
flat angles C4'-P-C4' energy: -91.686
flat angles P-C4'-P energy: -66.762
tors. eta vs tors. theta energy: -78.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -670.667566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.667566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.667566 (E_RNA)
where:
Base-Base interactions energy: -326.590
where: short stacking energy: -204.370
Base-Backbone interact. energy: -1.341
local terms energy: -342.736440
where:
bonds (distance) C4'-P energy: -79.973
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -81.751
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -583.341420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.341420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.341420 (E_RNA)
where:
Base-Base interactions energy: -243.094
where: short stacking energy: -161.171
Base-Backbone interact. energy: 0.989
local terms energy: -341.236690
where:
bonds (distance) C4'-P energy: -89.241
bonds (distance) P-C4' energy: -111.355
flat angles C4'-P-C4' energy: -90.175
flat angles P-C4'-P energy: -61.260
tors. eta vs tors. theta energy: 10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -553.043039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.043039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.043039 (E_RNA)
where:
Base-Base interactions energy: -214.141
where: short stacking energy: -155.816
Base-Backbone interact. energy: 2.382
local terms energy: -341.283818
where:
bonds (distance) C4'-P energy: -107.507
bonds (distance) P-C4' energy: -108.766
flat angles C4'-P-C4' energy: -96.888
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: 9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2075.041436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.041436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.041436 (E_RNA)
where:
Base-Base interactions energy: -1414.425
where: short stacking energy: -594.738
Base-Backbone interact. energy: -1.937
local terms energy: -658.679922
where:
bonds (distance) C4'-P energy: -132.497
bonds (distance) P-C4' energy: -120.259
flat angles C4'-P-C4' energy: -130.667
flat angles P-C4'-P energy: -87.696
tors. eta vs tors. theta energy: -187.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1956.295082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.295082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.295082 (E_RNA)
where:
Base-Base interactions energy: -1341.378
where: short stacking energy: -553.030
Base-Backbone interact. energy: -2.933
local terms energy: -611.984709
where:
bonds (distance) C4'-P energy: -130.514
bonds (distance) P-C4' energy: -114.668
flat angles C4'-P-C4' energy: -136.651
flat angles P-C4'-P energy: -75.279
tors. eta vs tors. theta energy: -154.874
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: 124
Temperature: 1.000000
Total energy: -1825.997205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.997205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.997205 (E_RNA)
where:
Base-Base interactions energy: -1245.022
where: short stacking energy: -530.779
Base-Backbone interact. energy: -2.743
local terms energy: -578.232438
where:
bonds (distance) C4'-P energy: -102.262
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -127.937
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -155.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1753.357861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.357861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.357861 (E_RNA)
where:
Base-Base interactions energy: -1185.191
where: short stacking energy: -518.423
Base-Backbone interact. energy: -1.034
local terms energy: -567.132820
where:
bonds (distance) C4'-P energy: -109.636
bonds (distance) P-C4' energy: -109.440
flat angles C4'-P-C4' energy: -127.301
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -142.398
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: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1577.586535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.586535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.586535 (E_RNA)
where:
Base-Base interactions energy: -1047.514
where: short stacking energy: -452.255
Base-Backbone interact. energy: 0.040
local terms energy: -530.112659
where:
bonds (distance) C4'-P energy: -105.601
bonds (distance) P-C4' energy: -85.472
flat angles C4'-P-C4' energy: -128.263
flat angles P-C4'-P energy: -78.881
tors. eta vs tors. theta energy: -131.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1295.800318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.800318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.800318 (E_RNA)
where:
Base-Base interactions energy: -813.794
where: short stacking energy: -375.903
Base-Backbone interact. energy: -2.706
local terms energy: -479.300861
where:
bonds (distance) C4'-P energy: -94.691
bonds (distance) P-C4' energy: -120.511
flat angles C4'-P-C4' energy: -114.511
flat angles P-C4'-P energy: -62.651
tors. eta vs tors. theta energy: -86.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1034.834548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.834548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.834548 (E_RNA)
where:
Base-Base interactions energy: -619.810
where: short stacking energy: -305.073
Base-Backbone interact. energy: -3.601
local terms energy: -411.423776
where:
bonds (distance) C4'-P energy: -102.562
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -57.759
tors. eta vs tors. theta energy: -57.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -715.445262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.445262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.445262 (E_RNA)
where:
Base-Base interactions energy: -345.524
where: short stacking energy: -220.199
Base-Backbone interact. energy: -1.391
local terms energy: -368.529958
where:
bonds (distance) C4'-P energy: -86.513
bonds (distance) P-C4' energy: -108.849
flat angles C4'-P-C4' energy: -112.041
flat angles P-C4'-P energy: -61.358
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -579.384608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.384608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.384608 (E_RNA)
where:
Base-Base interactions energy: -256.562
where: short stacking energy: -157.526
Base-Backbone interact. energy: -3.136
local terms energy: -319.687009
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -94.271
flat angles C4'-P-C4' energy: -92.404
flat angles P-C4'-P energy: -53.331
tors. eta vs tors. theta energy: 11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -545.892435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.892435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.892435 (E_RNA)
where:
Base-Base interactions energy: -202.904
where: short stacking energy: -150.352
Base-Backbone interact. energy: 1.039
local terms energy: -344.026612
where:
bonds (distance) C4'-P energy: -117.407
bonds (distance) P-C4' energy: -92.438
flat angles C4'-P-C4' energy: -86.669
flat angles P-C4'-P energy: -55.684
tors. eta vs tors. theta energy: 8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2047.326899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.326899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.326899 (E_RNA)
where:
Base-Base interactions energy: -1379.238
where: short stacking energy: -587.419
Base-Backbone interact. energy: -2.579
local terms energy: -665.509341
where:
bonds (distance) C4'-P energy: -110.267
bonds (distance) P-C4' energy: -122.240
flat angles C4'-P-C4' energy: -138.231
flat angles P-C4'-P energy: -104.877
tors. eta vs tors. theta energy: -189.894
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1924.018320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.018320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.018320 (E_RNA)
where:
Base-Base interactions energy: -1324.787
where: short stacking energy: -547.488
Base-Backbone interact. energy: -0.987
local terms energy: -598.244653
where:
bonds (distance) C4'-P energy: -115.652
bonds (distance) P-C4' energy: -107.657
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -75.891
tors. eta vs tors. theta energy: -166.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1824.636214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.636214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.636214 (E_RNA)
where:
Base-Base interactions energy: -1217.953
where: short stacking energy: -524.480
Base-Backbone interact. energy: -0.134
local terms energy: -606.548967
where:
bonds (distance) C4'-P energy: -121.737
bonds (distance) P-C4' energy: -112.443
flat angles C4'-P-C4' energy: -129.687
flat angles P-C4'-P energy: -88.745
tors. eta vs tors. theta energy: -153.937
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: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1786.185068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.185068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.185068 (E_RNA)
where:
Base-Base interactions energy: -1183.025
where: short stacking energy: -536.454
Base-Backbone interact. energy: -2.677
local terms energy: -600.482930
where:
bonds (distance) C4'-P energy: -111.931
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -126.641
flat angles P-C4'-P energy: -83.591
tors. eta vs tors. theta energy: -155.263
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: 125
Temperature: 1.100000
Total energy: -1575.512742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.512742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.512742 (E_RNA)
where:
Base-Base interactions energy: -1037.994
where: short stacking energy: -473.991
Base-Backbone interact. energy: 1.945
local terms energy: -539.464244
where:
bonds (distance) C4'-P energy: -93.371
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -119.160
flat angles P-C4'-P energy: -89.032
tors. eta vs tors. theta energy: -137.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1331.669324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.669324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.669324 (E_RNA)
where:
Base-Base interactions energy: -847.697
where: short stacking energy: -383.789
Base-Backbone interact. energy: -2.501
local terms energy: -481.471666
where:
bonds (distance) C4'-P energy: -91.501
bonds (distance) P-C4' energy: -91.220
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -87.106
tors. eta vs tors. theta energy: -105.933
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: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1059.693495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.693495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.693495 (E_RNA)
where:
Base-Base interactions energy: -638.824
where: short stacking energy: -284.715
Base-Backbone interact. energy: -3.601
local terms energy: -417.268513
where:
bonds (distance) C4'-P energy: -90.243
bonds (distance) P-C4' energy: -99.625
flat angles C4'-P-C4' energy: -99.869
flat angles P-C4'-P energy: -70.307
tors. eta vs tors. theta energy: -57.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -720.547469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.547469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.547469 (E_RNA)
where:
Base-Base interactions energy: -355.725
where: short stacking energy: -198.452
Base-Backbone interact. energy: 2.277
local terms energy: -367.099664
where:
bonds (distance) C4'-P energy: -108.522
bonds (distance) P-C4' energy: -108.666
flat angles C4'-P-C4' energy: -85.634
flat angles P-C4'-P energy: -66.205
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -533.564936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.564936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.564936 (E_RNA)
where:
Base-Base interactions energy: -198.201
where: short stacking energy: -140.413
Base-Backbone interact. energy: 1.873
local terms energy: -337.236570
where:
bonds (distance) C4'-P energy: -99.944
bonds (distance) P-C4' energy: -103.559
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: 9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -554.716578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.716578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.716578 (E_RNA)
where:
Base-Base interactions energy: -263.266
where: short stacking energy: -152.524
Base-Backbone interact. energy: 1.017
local terms energy: -292.468137
where:
bonds (distance) C4'-P energy: -113.634
bonds (distance) P-C4' energy: -102.176
flat angles C4'-P-C4' energy: -80.142
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: 28.435
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: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2026.252774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.252774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.252774 (E_RNA)
where:
Base-Base interactions energy: -1377.869
where: short stacking energy: -570.155
Base-Backbone interact. energy: -1.676
local terms energy: -646.707855
where:
bonds (distance) C4'-P energy: -123.704
bonds (distance) P-C4' energy: -128.448
flat angles C4'-P-C4' energy: -132.370
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -177.736
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1936.747308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.747308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.747308 (E_RNA)
where:
Base-Base interactions energy: -1300.035
where: short stacking energy: -548.690
Base-Backbone interact. energy: -0.940
local terms energy: -635.772804
where:
bonds (distance) C4'-P energy: -127.217
bonds (distance) P-C4' energy: -113.643
flat angles C4'-P-C4' energy: -132.753
flat angles P-C4'-P energy: -92.741
tors. eta vs tors. theta energy: -169.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1846.511046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.511046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.511046 (E_RNA)
where:
Base-Base interactions energy: -1248.696
where: short stacking energy: -534.027
Base-Backbone interact. energy: 0.287
local terms energy: -598.102722
where:
bonds (distance) C4'-P energy: -116.396
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -125.198
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -157.788
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1806.023642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.023642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.023642 (E_RNA)
where:
Base-Base interactions energy: -1247.480
where: short stacking energy: -520.155
Base-Backbone interact. energy: 5.666
local terms energy: -564.209836
where:
bonds (distance) C4'-P energy: -110.388
bonds (distance) P-C4' energy: -101.841
flat angles C4'-P-C4' energy: -114.817
flat angles P-C4'-P energy: -81.066
tors. eta vs tors. theta energy: -156.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1597.881776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.881776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.881776 (E_RNA)
where:
Base-Base interactions energy: -1027.422
where: short stacking energy: -451.423
Base-Backbone interact. energy: -1.530
local terms energy: -568.929243
where:
bonds (distance) C4'-P energy: -109.675
bonds (distance) P-C4' energy: -113.369
flat angles C4'-P-C4' energy: -126.628
flat angles P-C4'-P energy: -75.965
tors. eta vs tors. theta energy: -143.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1295.967347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.967347 (E_RNA)
where:
Base-Base interactions energy: -832.746
where: short stacking energy: -370.388
Base-Backbone interact. energy: -2.974
local terms energy: -460.247513
where:
bonds (distance) C4'-P energy: -94.648
bonds (distance) P-C4' energy: -117.929
flat angles C4'-P-C4' energy: -97.033
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -83.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1070.096078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.096078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.096078 (E_RNA)
where:
Base-Base interactions energy: -616.900
where: short stacking energy: -299.992
Base-Backbone interact. energy: -0.522
local terms energy: -452.674134
where:
bonds (distance) C4'-P energy: -100.876
bonds (distance) P-C4' energy: -114.525
flat angles C4'-P-C4' energy: -100.677
flat angles P-C4'-P energy: -67.859
tors. eta vs tors. theta energy: -68.737
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: 126
Temperature: 1.250000
Total energy: -714.132300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.132300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.132300 (E_RNA)
where:
Base-Base interactions energy: -327.149
where: short stacking energy: -199.280
Base-Backbone interact. energy: 0.473
local terms energy: -387.456336
where:
bonds (distance) C4'-P energy: -103.083
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -95.056
flat angles P-C4'-P energy: -75.214
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -586.838574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.838574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.838574 (E_RNA)
where:
Base-Base interactions energy: -250.609
where: short stacking energy: -161.449
Base-Backbone interact. energy: -1.950
local terms energy: -334.279569
where:
bonds (distance) C4'-P energy: -95.717
bonds (distance) P-C4' energy: -111.925
flat angles C4'-P-C4' energy: -79.344
flat angles P-C4'-P energy: -40.310
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -460.683828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.683828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.683828 (E_RNA)
where:
Base-Base interactions energy: -174.168
where: short stacking energy: -125.563
Base-Backbone interact. energy: 2.218
local terms energy: -288.734189
where:
bonds (distance) C4'-P energy: -96.797
bonds (distance) P-C4' energy: -92.439
flat angles C4'-P-C4' energy: -80.862
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: 30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2052.341841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.341841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.341841 (E_RNA)
where:
Base-Base interactions energy: -1397.618
where: short stacking energy: -598.625
Base-Backbone interact. energy: -3.189
local terms energy: -651.534561
where:
bonds (distance) C4'-P energy: -112.601
bonds (distance) P-C4' energy: -123.893
flat angles C4'-P-C4' energy: -140.175
flat angles P-C4'-P energy: -88.759
tors. eta vs tors. theta energy: -186.106
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: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1938.166586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.166586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.166586 (E_RNA)
where:
Base-Base interactions energy: -1288.648
where: short stacking energy: -556.313
Base-Backbone interact. energy: -4.109
local terms energy: -645.409292
where:
bonds (distance) C4'-P energy: -133.897
bonds (distance) P-C4' energy: -105.772
flat angles C4'-P-C4' energy: -132.652
flat angles P-C4'-P energy: -95.272
tors. eta vs tors. theta energy: -177.816
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: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1884.387249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.387249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.387249 (E_RNA)
where:
Base-Base interactions energy: -1288.916
where: short stacking energy: -552.415
Base-Backbone interact. energy: 1.961
local terms energy: -597.432646
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -117.944
flat angles C4'-P-C4' energy: -120.788
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -169.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1811.944574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.944574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.944574 (E_RNA)
where:
Base-Base interactions energy: -1229.156
where: short stacking energy: -502.796
Base-Backbone interact. energy: -3.809
local terms energy: -578.979997
where:
bonds (distance) C4'-P energy: -112.126
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -126.087
flat angles P-C4'-P energy: -79.923
tors. eta vs tors. theta energy: -151.909
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1627.705007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.705007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.705007 (E_RNA)
where:
Base-Base interactions energy: -1081.328
where: short stacking energy: -458.269
Base-Backbone interact. energy: -3.257
local terms energy: -543.119580
where:
bonds (distance) C4'-P energy: -104.269
bonds (distance) P-C4' energy: -106.269
flat angles C4'-P-C4' energy: -118.837
flat angles P-C4'-P energy: -75.427
tors. eta vs tors. theta energy: -138.318
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1289.796386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.796386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.796386 (E_RNA)
where:
Base-Base interactions energy: -805.858
where: short stacking energy: -350.053
Base-Backbone interact. energy: 2.081
local terms energy: -486.019556
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -110.280
flat angles C4'-P-C4' energy: -108.898
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -95.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1051.745204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.745204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.745204 (E_RNA)
where:
Base-Base interactions energy: -645.695
where: short stacking energy: -280.918
Base-Backbone interact. energy: 4.845
local terms energy: -410.894585
where:
bonds (distance) C4'-P energy: -116.669
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -107.829
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -734.775135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.775135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.775135 (E_RNA)
where:
Base-Base interactions energy: -368.103
where: short stacking energy: -233.447
Base-Backbone interact. energy: 0.199
local terms energy: -366.870948
where:
bonds (distance) C4'-P energy: -109.109
bonds (distance) P-C4' energy: -82.446
flat angles C4'-P-C4' energy: -101.009
flat angles P-C4'-P energy: -57.373
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -591.734061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.734061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.734061 (E_RNA)
where:
Base-Base interactions energy: -237.951
where: short stacking energy: -159.508
Base-Backbone interact. energy: 3.631
local terms energy: -357.413558
where:
bonds (distance) C4'-P energy: -105.644
bonds (distance) P-C4' energy: -106.176
flat angles C4'-P-C4' energy: -92.953
flat angles P-C4'-P energy: -57.729
tors. eta vs tors. theta energy: 5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -475.573555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.573555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.573555 (E_RNA)
where:
Base-Base interactions energy: -193.578
where: short stacking energy: -122.396
Base-Backbone interact. energy: 7.153
local terms energy: -289.149070
where:
bonds (distance) C4'-P energy: -87.194
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -76.555
flat angles P-C4'-P energy: -59.878
tors. eta vs tors. theta energy: 37.869
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: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2072.595860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.595860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.595860 (E_RNA)
where:
Base-Base interactions energy: -1389.936
where: short stacking energy: -600.697
Base-Backbone interact. energy: -0.609
local terms energy: -682.050239
where:
bonds (distance) C4'-P energy: -131.910
bonds (distance) P-C4' energy: -124.014
flat angles C4'-P-C4' energy: -133.710
flat angles P-C4'-P energy: -100.711
tors. eta vs tors. theta energy: -191.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1965.824357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.824357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.824357 (E_RNA)
where:
Base-Base interactions energy: -1317.276
where: short stacking energy: -564.715
Base-Backbone interact. energy: -6.184
local terms energy: -642.364011
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -118.382
flat angles C4'-P-C4' energy: -127.565
flat angles P-C4'-P energy: -86.797
tors. eta vs tors. theta energy: -179.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1871.202675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.202675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.202675 (E_RNA)
where:
Base-Base interactions energy: -1270.604
where: short stacking energy: -524.515
Base-Backbone interact. energy: -0.441
local terms energy: -600.158222
where:
bonds (distance) C4'-P energy: -127.428
bonds (distance) P-C4' energy: -113.012
flat angles C4'-P-C4' energy: -128.683
flat angles P-C4'-P energy: -80.573
tors. eta vs tors. theta energy: -150.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1790.625592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.625592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.625592 (E_RNA)
where:
Base-Base interactions energy: -1211.857
where: short stacking energy: -508.674
Base-Backbone interact. energy: -2.101
local terms energy: -576.667240
where:
bonds (distance) C4'-P energy: -100.637
bonds (distance) P-C4' energy: -110.551
flat angles C4'-P-C4' energy: -126.681
flat angles P-C4'-P energy: -88.488
tors. eta vs tors. theta energy: -150.311
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: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1568.747263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.747263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.747263 (E_RNA)
where:
Base-Base interactions energy: -1042.908
where: short stacking energy: -455.744
Base-Backbone interact. energy: -1.118
local terms energy: -524.721025
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -96.325
flat angles C4'-P-C4' energy: -105.069
flat angles P-C4'-P energy: -80.193
tors. eta vs tors. theta energy: -133.078
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: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1346.040825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.040825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.040825 (E_RNA)
where:
Base-Base interactions energy: -852.097
where: short stacking energy: -378.781
Base-Backbone interact. energy: -0.986
local terms energy: -492.958729
where:
bonds (distance) C4'-P energy: -99.761
bonds (distance) P-C4' energy: -115.885
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -69.858
tors. eta vs tors. theta energy: -95.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1051.354504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.354504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.354504 (E_RNA)
where:
Base-Base interactions energy: -640.837
where: short stacking energy: -319.204
Base-Backbone interact. energy: 1.985
local terms energy: -412.502494
where:
bonds (distance) C4'-P energy: -90.695
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -89.799
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -51.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -742.213603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.213603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.213603 (E_RNA)
where:
Base-Base interactions energy: -384.791
where: short stacking energy: -221.397
Base-Backbone interact. energy: 1.498
local terms energy: -358.920405
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -102.820
flat angles C4'-P-C4' energy: -100.914
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -617.789553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.789553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.789553 (E_RNA)
where:
Base-Base interactions energy: -269.196
where: short stacking energy: -170.576
Base-Backbone interact. energy: -0.595
local terms energy: -347.998242
where:
bonds (distance) C4'-P energy: -101.488
bonds (distance) P-C4' energy: -104.344
flat angles C4'-P-C4' energy: -74.886
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -541.521159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.521159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.521159 (E_RNA)
where:
Base-Base interactions energy: -229.130
where: short stacking energy: -142.620
Base-Backbone interact. energy: -1.018
local terms energy: -311.373217
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -96.499
flat angles C4'-P-C4' energy: -92.523
flat angles P-C4'-P energy: -45.238
tors. eta vs tors. theta energy: 26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2062.337454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.337454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.337454 (E_RNA)
where:
Base-Base interactions energy: -1385.964
where: short stacking energy: -598.822
Base-Backbone interact. energy: -1.867
local terms energy: -674.506446
where:
bonds (distance) C4'-P energy: -129.892
bonds (distance) P-C4' energy: -129.892
flat angles C4'-P-C4' energy: -145.258
flat angles P-C4'-P energy: -89.945
tors. eta vs tors. theta energy: -179.520
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: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1952.961162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.961162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.961162 (E_RNA)
where:
Base-Base interactions energy: -1301.871
where: short stacking energy: -550.265
Base-Backbone interact. energy: -1.683
local terms energy: -649.407449
where:
bonds (distance) C4'-P energy: -115.264
bonds (distance) P-C4' energy: -124.622
flat angles C4'-P-C4' energy: -131.825
flat angles P-C4'-P energy: -100.831
tors. eta vs tors. theta energy: -176.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1900.388443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.388443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.388443 (E_RNA)
where:
Base-Base interactions energy: -1305.051
where: short stacking energy: -548.661
Base-Backbone interact. energy: 0.631
local terms energy: -595.968241
where:
bonds (distance) C4'-P energy: -122.647
bonds (distance) P-C4' energy: -107.016
flat angles C4'-P-C4' energy: -132.478
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -151.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1853.336574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.336574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.336574 (E_RNA)
where:
Base-Base interactions energy: -1279.049
where: short stacking energy: -526.226
Base-Backbone interact. energy: -2.699
local terms energy: -571.588583
where:
bonds (distance) C4'-P energy: -101.791
bonds (distance) P-C4' energy: -110.236
flat angles C4'-P-C4' energy: -132.960
flat angles P-C4'-P energy: -75.576
tors. eta vs tors. theta energy: -151.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1606.495189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.495189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.495189 (E_RNA)
where:
Base-Base interactions energy: -1036.354
where: short stacking energy: -467.064
Base-Backbone interact. energy: -3.898
local terms energy: -566.243061
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -118.614
flat angles C4'-P-C4' energy: -134.226
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -124.761
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: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1364.708205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.708205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.708205 (E_RNA)
where:
Base-Base interactions energy: -863.654
where: short stacking energy: -419.427
Base-Backbone interact. energy: 0.969
local terms energy: -502.023536
where:
bonds (distance) C4'-P energy: -98.613
bonds (distance) P-C4' energy: -100.061
flat angles C4'-P-C4' energy: -123.445
flat angles P-C4'-P energy: -76.130
tors. eta vs tors. theta energy: -103.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1101.184331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.184331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.184331 (E_RNA)
where:
Base-Base interactions energy: -663.760
where: short stacking energy: -320.551
Base-Backbone interact. energy: 1.052
local terms energy: -438.477159
where:
bonds (distance) C4'-P energy: -91.761
bonds (distance) P-C4' energy: -114.717
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -73.199
tors. eta vs tors. theta energy: -59.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -673.980046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.980046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.980046 (E_RNA)
where:
Base-Base interactions energy: -343.879
where: short stacking energy: -188.249
Base-Backbone interact. energy: 2.722
local terms energy: -332.822319
where:
bonds (distance) C4'-P energy: -75.623
bonds (distance) P-C4' energy: -103.873
flat angles C4'-P-C4' energy: -82.179
flat angles P-C4'-P energy: -58.268
tors. eta vs tors. theta energy: -12.880
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -660.629423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.629423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.629423 (E_RNA)
where:
Base-Base interactions energy: -298.287
where: short stacking energy: -204.065
Base-Backbone interact. energy: 4.300
local terms energy: -366.642775
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -79.012
flat angles P-C4'-P energy: -76.527
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -537.935566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.935566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.935566 (E_RNA)
where:
Base-Base interactions energy: -235.421
where: short stacking energy: -149.832
Base-Backbone interact. energy: 0.032
local terms energy: -302.546720
where:
bonds (distance) C4'-P energy: -104.719
bonds (distance) P-C4' energy: -94.779
flat angles C4'-P-C4' energy: -76.002
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: 18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2030.731221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.731221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.731221 (E_RNA)
where:
Base-Base interactions energy: -1384.560
where: short stacking energy: -593.545
Base-Backbone interact. energy: -0.684
local terms energy: -645.487429
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -126.540
flat angles P-C4'-P energy: -94.618
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: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1971.295138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.295138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.295138 (E_RNA)
where:
Base-Base interactions energy: -1319.640
where: short stacking energy: -577.532
Base-Backbone interact. energy: -1.314
local terms energy: -650.340984
where:
bonds (distance) C4'-P energy: -124.988
bonds (distance) P-C4' energy: -125.552
flat angles C4'-P-C4' energy: -143.417
flat angles P-C4'-P energy: -85.174
tors. eta vs tors. theta energy: -171.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1885.318855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.318855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.318855 (E_RNA)
where:
Base-Base interactions energy: -1300.444
where: short stacking energy: -540.300
Base-Backbone interact. energy: -3.067
local terms energy: -581.808152
where:
bonds (distance) C4'-P energy: -103.708
bonds (distance) P-C4' energy: -120.080
flat angles C4'-P-C4' energy: -118.092
flat angles P-C4'-P energy: -85.823
tors. eta vs tors. theta energy: -154.106
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: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1780.567857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.567857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.567857 (E_RNA)
where:
Base-Base interactions energy: -1196.374
where: short stacking energy: -486.356
Base-Backbone interact. energy: -0.257
local terms energy: -583.936823
where:
bonds (distance) C4'-P energy: -114.078
bonds (distance) P-C4' energy: -118.935
flat angles C4'-P-C4' energy: -132.919
flat angles P-C4'-P energy: -81.882
tors. eta vs tors. theta energy: -136.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1545.343308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.343308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.343308 (E_RNA)
where:
Base-Base interactions energy: -1013.855
where: short stacking energy: -455.888
Base-Backbone interact. energy: -2.382
local terms energy: -529.106414
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -111.268
flat angles C4'-P-C4' energy: -126.823
flat angles P-C4'-P energy: -71.231
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: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1384.345241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.345241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.345241 (E_RNA)
where:
Base-Base interactions energy: -887.531
where: short stacking energy: -414.304
Base-Backbone interact. energy: 0.714
local terms energy: -497.528731
where:
bonds (distance) C4'-P energy: -93.916
bonds (distance) P-C4' energy: -118.144
flat angles C4'-P-C4' energy: -121.372
flat angles P-C4'-P energy: -71.328
tors. eta vs tors. theta energy: -92.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1195.936465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.936465 (E_RNA)
where:
Base-Base interactions energy: -732.667
where: short stacking energy: -340.405
Base-Backbone interact. energy: 0.388
local terms energy: -463.657395
where:
bonds (distance) C4'-P energy: -103.444
bonds (distance) P-C4' energy: -102.536
flat angles C4'-P-C4' energy: -106.683
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -81.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -630.698526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.698526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.698526 (E_RNA)
where:
Base-Base interactions energy: -276.644
where: short stacking energy: -188.429
Base-Backbone interact. energy: -1.543
local terms energy: -352.511424
where:
bonds (distance) C4'-P energy: -86.304
bonds (distance) P-C4' energy: -112.621
flat angles C4'-P-C4' energy: -85.799
flat angles P-C4'-P energy: -60.669
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -661.133563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.133563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.133563 (E_RNA)
where:
Base-Base interactions energy: -337.895
where: short stacking energy: -182.555
Base-Backbone interact. energy: 0.631
local terms energy: -323.868978
where:
bonds (distance) C4'-P energy: -92.469
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -79.218
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: 7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -465.426133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.426133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.426133 (E_RNA)
where:
Base-Base interactions energy: -157.892
where: short stacking energy: -116.658
Base-Backbone interact. energy: 0.760
local terms energy: -308.294706
where:
bonds (distance) C4'-P energy: -109.746
bonds (distance) P-C4' energy: -101.922
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -47.109
tors. eta vs tors. theta energy: 22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2062.959544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.959544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.959544 (E_RNA)
where:
Base-Base interactions energy: -1377.396
where: short stacking energy: -591.065
Base-Backbone interact. energy: -3.203
local terms energy: -682.361377
where:
bonds (distance) C4'-P energy: -135.756
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -145.554
flat angles P-C4'-P energy: -89.970
tors. eta vs tors. theta energy: -179.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1938.927961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.927961 (E_RNA)
where:
Base-Base interactions energy: -1325.904
where: short stacking energy: -506.489
Base-Backbone interact. energy: -1.962
local terms energy: -611.062053
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -110.760
flat angles C4'-P-C4' energy: -141.714
flat angles P-C4'-P energy: -97.396
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: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1907.299275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.299275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.299275 (E_RNA)
where:
Base-Base interactions energy: -1302.794
where: short stacking energy: -538.460
Base-Backbone interact. energy: -2.587
local terms energy: -601.918212
where:
bonds (distance) C4'-P energy: -106.234
bonds (distance) P-C4' energy: -121.444
flat angles C4'-P-C4' energy: -111.174
flat angles P-C4'-P energy: -94.603
tors. eta vs tors. theta energy: -168.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1802.728606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.728606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.728606 (E_RNA)
where:
Base-Base interactions energy: -1218.581
where: short stacking energy: -520.394
Base-Backbone interact. energy: -1.409
local terms energy: -582.738904
where:
bonds (distance) C4'-P energy: -97.606
bonds (distance) P-C4' energy: -105.435
flat angles C4'-P-C4' energy: -131.199
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -159.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1577.180311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.180311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.180311 (E_RNA)
where:
Base-Base interactions energy: -1039.377
where: short stacking energy: -453.019
Base-Backbone interact. energy: -2.562
local terms energy: -535.241569
where:
bonds (distance) C4'-P energy: -94.501
bonds (distance) P-C4' energy: -123.175
flat angles C4'-P-C4' energy: -106.526
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -135.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1418.031223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.031223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.031223 (E_RNA)
where:
Base-Base interactions energy: -911.514
where: short stacking energy: -406.388
Base-Backbone interact. energy: -0.560
local terms energy: -505.956793
where:
bonds (distance) C4'-P energy: -92.897
bonds (distance) P-C4' energy: -131.379
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -108.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1195.515920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.515920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.515920 (E_RNA)
where:
Base-Base interactions energy: -757.368
where: short stacking energy: -325.274
Base-Backbone interact. energy: -0.093
local terms energy: -438.054860
where:
bonds (distance) C4'-P energy: -104.776
bonds (distance) P-C4' energy: -111.484
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -66.664
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -617.136102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.136102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.136102 (E_RNA)
where:
Base-Base interactions energy: -282.894
where: short stacking energy: -180.810
Base-Backbone interact. energy: -1.657
local terms energy: -332.585911
where:
bonds (distance) C4'-P energy: -84.097
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -77.648
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -0.736
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: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -636.001121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.001121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.001121 (E_RNA)
where:
Base-Base interactions energy: -293.352
where: short stacking energy: -179.663
Base-Backbone interact. energy: -3.916
local terms energy: -338.733186
where:
bonds (distance) C4'-P energy: -93.835
bonds (distance) P-C4' energy: -106.907
flat angles C4'-P-C4' energy: -80.372
flat angles P-C4'-P energy: -45.709
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -442.611428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.611428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.611428 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -91.766
Base-Backbone interact. energy: 3.871
local terms energy: -325.241341
where:
bonds (distance) C4'-P energy: -103.120
bonds (distance) P-C4' energy: -106.912
flat angles C4'-P-C4' energy: -87.685
flat angles P-C4'-P energy: -66.751
tors. eta vs tors. theta energy: 39.227
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: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2050.069155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.069155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.069155 (E_RNA)
where:
Base-Base interactions energy: -1380.906
where: short stacking energy: -580.641
Base-Backbone interact. energy: -1.589
local terms energy: -667.573553
where:
bonds (distance) C4'-P energy: -124.143
bonds (distance) P-C4' energy: -134.261
flat angles C4'-P-C4' energy: -134.950
flat angles P-C4'-P energy: -100.496
tors. eta vs tors. theta energy: -173.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1942.779989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.779989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.779989 (E_RNA)
where:
Base-Base interactions energy: -1323.607
where: short stacking energy: -551.446
Base-Backbone interact. energy: -0.487
local terms energy: -618.685776
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -134.821
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -156.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1850.937480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.937480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.937480 (E_RNA)
where:
Base-Base interactions energy: -1242.003
where: short stacking energy: -529.836
Base-Backbone interact. energy: 0.248
local terms energy: -609.183254
where:
bonds (distance) C4'-P energy: -107.770
bonds (distance) P-C4' energy: -111.990
flat angles C4'-P-C4' energy: -137.211
flat angles P-C4'-P energy: -82.183
tors. eta vs tors. theta energy: -170.029
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: 132
Temperature: 1.050000
Total energy: -1810.015804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.015804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.015804 (E_RNA)
where:
Base-Base interactions energy: -1263.645
where: short stacking energy: -498.063
Base-Backbone interact. energy: 1.710
local terms energy: -548.080202
where:
bonds (distance) C4'-P energy: -103.512
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -107.000
flat angles P-C4'-P energy: -75.658
tors. eta vs tors. theta energy: -155.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1606.715345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.715345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.715345 (E_RNA)
where:
Base-Base interactions energy: -1047.956
where: short stacking energy: -452.834
Base-Backbone interact. energy: 5.881
local terms energy: -564.640447
where:
bonds (distance) C4'-P energy: -107.597
bonds (distance) P-C4' energy: -133.721
flat angles C4'-P-C4' energy: -116.204
flat angles P-C4'-P energy: -73.700
tors. eta vs tors. theta energy: -133.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1389.326820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.326820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.326820 (E_RNA)
where:
Base-Base interactions energy: -859.318
where: short stacking energy: -389.277
Base-Backbone interact. energy: 2.026
local terms energy: -532.033940
where:
bonds (distance) C4'-P energy: -111.370
bonds (distance) P-C4' energy: -121.288
flat angles C4'-P-C4' energy: -120.879
flat angles P-C4'-P energy: -78.394
tors. eta vs tors. theta energy: -100.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1173.047842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.047842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.047842 (E_RNA)
where:
Base-Base interactions energy: -709.696
where: short stacking energy: -327.623
Base-Backbone interact. energy: 2.982
local terms energy: -466.333788
where:
bonds (distance) C4'-P energy: -97.996
bonds (distance) P-C4' energy: -120.039
flat angles C4'-P-C4' energy: -112.132
flat angles P-C4'-P energy: -69.924
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -676.211811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.211811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.211811 (E_RNA)
where:
Base-Base interactions energy: -333.509
where: short stacking energy: -226.188
Base-Backbone interact. energy: 5.418
local terms energy: -348.121019
where:
bonds (distance) C4'-P energy: -101.389
bonds (distance) P-C4' energy: -78.492
flat angles C4'-P-C4' energy: -82.288
flat angles P-C4'-P energy: -56.147
tors. eta vs tors. theta energy: -29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -631.649360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.649360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.649360 (E_RNA)
where:
Base-Base interactions energy: -258.098
where: short stacking energy: -171.023
Base-Backbone interact. energy: 1.863
local terms energy: -375.414400
where:
bonds (distance) C4'-P energy: -100.360
bonds (distance) P-C4' energy: -100.817
flat angles C4'-P-C4' energy: -101.023
flat angles P-C4'-P energy: -58.339
tors. eta vs tors. theta energy: -14.876
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: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -477.319564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.319564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.319564 (E_RNA)
where:
Base-Base interactions energy: -175.201
where: short stacking energy: -116.183
Base-Backbone interact. energy: 3.575
local terms energy: -305.693106
where:
bonds (distance) C4'-P energy: -96.865
bonds (distance) P-C4' energy: -114.317
flat angles C4'-P-C4' energy: -83.767
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: 37.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2041.143466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.143466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.143466 (E_RNA)
where:
Base-Base interactions energy: -1362.329
where: short stacking energy: -586.806
Base-Backbone interact. energy: -2.430
local terms energy: -676.385117
where:
bonds (distance) C4'-P energy: -121.841
bonds (distance) P-C4' energy: -127.363
flat angles C4'-P-C4' energy: -142.068
flat angles P-C4'-P energy: -103.636
tors. eta vs tors. theta energy: -181.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1938.463422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.463422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.463422 (E_RNA)
where:
Base-Base interactions energy: -1309.557
where: short stacking energy: -543.249
Base-Backbone interact. energy: 0.892
local terms energy: -629.798475
where:
bonds (distance) C4'-P energy: -111.380
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -137.910
flat angles P-C4'-P energy: -91.707
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: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1893.366248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.366248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.366248 (E_RNA)
where:
Base-Base interactions energy: -1273.767
where: short stacking energy: -528.643
Base-Backbone interact. energy: 0.068
local terms energy: -619.667257
where:
bonds (distance) C4'-P energy: -111.497
bonds (distance) P-C4' energy: -115.384
flat angles C4'-P-C4' energy: -130.578
flat angles P-C4'-P energy: -88.146
tors. eta vs tors. theta energy: -174.062
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: 133
Temperature: 1.050000
Total energy: -1828.143585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.143585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.143585 (E_RNA)
where:
Base-Base interactions energy: -1210.524
where: short stacking energy: -498.866
Base-Backbone interact. energy: -1.601
local terms energy: -616.018907
where:
bonds (distance) C4'-P energy: -122.084
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -125.036
flat angles P-C4'-P energy: -99.332
tors. eta vs tors. theta energy: -158.757
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1612.367736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.367736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.367736 (E_RNA)
where:
Base-Base interactions energy: -1064.456
where: short stacking energy: -435.699
Base-Backbone interact. energy: -0.430
local terms energy: -547.482322
where:
bonds (distance) C4'-P energy: -120.558
bonds (distance) P-C4' energy: -114.956
flat angles C4'-P-C4' energy: -117.846
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -122.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1343.107827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.107827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.107827 (E_RNA)
where:
Base-Base interactions energy: -846.283
where: short stacking energy: -376.663
Base-Backbone interact. energy: 1.580
local terms energy: -498.404737
where:
bonds (distance) C4'-P energy: -111.654
bonds (distance) P-C4' energy: -111.400
flat angles C4'-P-C4' energy: -107.455
flat angles P-C4'-P energy: -72.118
tors. eta vs tors. theta energy: -95.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1250.883753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.883753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.883753 (E_RNA)
where:
Base-Base interactions energy: -802.778
where: short stacking energy: -350.495
Base-Backbone interact. energy: -2.670
local terms energy: -445.435675
where:
bonds (distance) C4'-P energy: -91.572
bonds (distance) P-C4' energy: -109.535
flat angles C4'-P-C4' energy: -109.174
flat angles P-C4'-P energy: -59.441
tors. eta vs tors. theta energy: -75.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -704.811730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.811730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.811730 (E_RNA)
where:
Base-Base interactions energy: -351.770
where: short stacking energy: -224.369
Base-Backbone interact. energy: 1.323
local terms energy: -354.363908
where:
bonds (distance) C4'-P energy: -95.381
bonds (distance) P-C4' energy: -101.924
flat angles C4'-P-C4' energy: -93.752
flat angles P-C4'-P energy: -44.706
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: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -615.155888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.155888 (E_RNA)
where:
Base-Base interactions energy: -274.878
where: short stacking energy: -165.701
Base-Backbone interact. energy: 2.699
local terms energy: -342.977344
where:
bonds (distance) C4'-P energy: -103.112
bonds (distance) P-C4' energy: -106.067
flat angles C4'-P-C4' energy: -77.050
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: 0.170
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: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -463.785592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.785592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.785592 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -127.482
Base-Backbone interact. energy: 0.999
local terms energy: -317.770410
where:
bonds (distance) C4'-P energy: -107.880
bonds (distance) P-C4' energy: -96.577
flat angles C4'-P-C4' energy: -92.025
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: 15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1989.102300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.102300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.102300 (E_RNA)
where:
Base-Base interactions energy: -1354.312
where: short stacking energy: -580.316
Base-Backbone interact. energy: 0.174
local terms energy: -634.964429
where:
bonds (distance) C4'-P energy: -113.946
bonds (distance) P-C4' energy: -123.017
flat angles C4'-P-C4' energy: -142.732
flat angles P-C4'-P energy: -87.803
tors. eta vs tors. theta energy: -167.467
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1970.117471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.117471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.117471 (E_RNA)
where:
Base-Base interactions energy: -1332.668
where: short stacking energy: -546.319
Base-Backbone interact. energy: -2.709
local terms energy: -634.740618
where:
bonds (distance) C4'-P energy: -115.948
bonds (distance) P-C4' energy: -118.757
flat angles C4'-P-C4' energy: -135.838
flat angles P-C4'-P energy: -89.987
tors. eta vs tors. theta energy: -174.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1873.681210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.681210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.681210 (E_RNA)
where:
Base-Base interactions energy: -1269.528
where: short stacking energy: -534.897
Base-Backbone interact. energy: -1.496
local terms energy: -602.657705
where:
bonds (distance) C4'-P energy: -113.693
bonds (distance) P-C4' energy: -108.236
flat angles C4'-P-C4' energy: -130.026
flat angles P-C4'-P energy: -78.837
tors. eta vs tors. theta energy: -171.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1819.841861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.841861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.841861 (E_RNA)
where:
Base-Base interactions energy: -1228.136
where: short stacking energy: -521.440
Base-Backbone interact. energy: -3.075
local terms energy: -588.630992
where:
bonds (distance) C4'-P energy: -111.617
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -126.414
flat angles P-C4'-P energy: -84.825
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: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1603.909960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.909960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.909960 (E_RNA)
where:
Base-Base interactions energy: -1068.585
where: short stacking energy: -451.807
Base-Backbone interact. energy: 1.269
local terms energy: -536.594187
where:
bonds (distance) C4'-P energy: -111.038
bonds (distance) P-C4' energy: -118.678
flat angles C4'-P-C4' energy: -115.542
flat angles P-C4'-P energy: -69.264
tors. eta vs tors. theta energy: -122.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1286.796452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.796452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.796452 (E_RNA)
where:
Base-Base interactions energy: -802.732
where: short stacking energy: -364.000
Base-Backbone interact. energy: -0.532
local terms energy: -483.531911
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -66.808
tors. eta vs tors. theta energy: -98.274
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: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1279.076558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.076558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.076558 (E_RNA)
where:
Base-Base interactions energy: -810.526
where: short stacking energy: -370.794
Base-Backbone interact. energy: -2.379
local terms energy: -466.171997
where:
bonds (distance) C4'-P energy: -99.186
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -82.886
tors. eta vs tors. theta energy: -81.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -667.201262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.201262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.201262 (E_RNA)
where:
Base-Base interactions energy: -318.200
where: short stacking energy: -172.346
Base-Backbone interact. energy: -1.940
local terms energy: -347.060879
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -99.143
flat angles C4'-P-C4' energy: -99.365
flat angles P-C4'-P energy: -47.444
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -640.399121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.399121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.399121 (E_RNA)
where:
Base-Base interactions energy: -298.112
where: short stacking energy: -176.517
Base-Backbone interact. energy: -3.724
local terms energy: -338.563779
where:
bonds (distance) C4'-P energy: -81.962
bonds (distance) P-C4' energy: -97.489
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -61.800
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -486.246487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.246487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.246487 (E_RNA)
where:
Base-Base interactions energy: -177.555
where: short stacking energy: -131.353
Base-Backbone interact. energy: 0.126
local terms energy: -308.817397
where:
bonds (distance) C4'-P energy: -82.316
bonds (distance) P-C4' energy: -117.017
flat angles C4'-P-C4' energy: -82.131
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: 23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2015.973607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.973607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.973607 (E_RNA)
where:
Base-Base interactions energy: -1355.456
where: short stacking energy: -602.722
Base-Backbone interact. energy: -2.121
local terms energy: -658.396865
where:
bonds (distance) C4'-P energy: -121.981
bonds (distance) P-C4' energy: -126.008
flat angles C4'-P-C4' energy: -132.819
flat angles P-C4'-P energy: -91.448
tors. eta vs tors. theta energy: -186.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2011.324969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.324969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.324969 (E_RNA)
where:
Base-Base interactions energy: -1337.808
where: short stacking energy: -600.254
Base-Backbone interact. energy: -1.220
local terms energy: -672.296659
where:
bonds (distance) C4'-P energy: -117.330
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -150.722
flat angles P-C4'-P energy: -107.766
tors. eta vs tors. theta energy: -175.249
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1892.724794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.724794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.724794 (E_RNA)
where:
Base-Base interactions energy: -1280.933
where: short stacking energy: -542.250
Base-Backbone interact. energy: -3.725
local terms energy: -608.067228
where:
bonds (distance) C4'-P energy: -122.877
bonds (distance) P-C4' energy: -120.123
flat angles C4'-P-C4' energy: -122.263
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -161.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1801.487022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.487022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.487022 (E_RNA)
where:
Base-Base interactions energy: -1214.581
where: short stacking energy: -493.997
Base-Backbone interact. energy: -2.376
local terms energy: -584.529274
where:
bonds (distance) C4'-P energy: -121.066
bonds (distance) P-C4' energy: -98.193
flat angles C4'-P-C4' energy: -141.528
flat angles P-C4'-P energy: -71.333
tors. eta vs tors. theta energy: -152.410
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: 135
Temperature: 1.100000
Total energy: -1672.611820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.611820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.611820 (E_RNA)
where:
Base-Base interactions energy: -1119.976
where: short stacking energy: -489.273
Base-Backbone interact. energy: 2.131
local terms energy: -554.766604
where:
bonds (distance) C4'-P energy: -100.423
bonds (distance) P-C4' energy: -116.480
flat angles C4'-P-C4' energy: -130.356
flat angles P-C4'-P energy: -73.033
tors. eta vs tors. theta energy: -134.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1301.721959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.721959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.721959 (E_RNA)
where:
Base-Base interactions energy: -807.097
where: short stacking energy: -377.569
Base-Backbone interact. energy: -1.231
local terms energy: -493.393519
where:
bonds (distance) C4'-P energy: -108.993
bonds (distance) P-C4' energy: -103.718
flat angles C4'-P-C4' energy: -114.913
flat angles P-C4'-P energy: -78.872
tors. eta vs tors. theta energy: -86.897
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1280.363000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.363000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.363000 (E_RNA)
where:
Base-Base interactions energy: -787.783
where: short stacking energy: -357.053
Base-Backbone interact. energy: -2.798
local terms energy: -489.781645
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -113.013
flat angles C4'-P-C4' energy: -102.797
flat angles P-C4'-P energy: -69.486
tors. eta vs tors. theta energy: -96.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -683.069554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.069554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.069554 (E_RNA)
where:
Base-Base interactions energy: -294.801
where: short stacking energy: -183.556
Base-Backbone interact. energy: 3.686
local terms energy: -391.954380
where:
bonds (distance) C4'-P energy: -108.037
bonds (distance) P-C4' energy: -128.398
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -57.651
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -602.502902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.502902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.502902 (E_RNA)
where:
Base-Base interactions energy: -275.200
where: short stacking energy: -182.033
Base-Backbone interact. energy: -3.203
local terms energy: -324.100132
where:
bonds (distance) C4'-P energy: -83.038
bonds (distance) P-C4' energy: -100.832
flat angles C4'-P-C4' energy: -89.291
flat angles P-C4'-P energy: -53.722
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -457.705938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.705938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.705938 (E_RNA)
where:
Base-Base interactions energy: -169.597
where: short stacking energy: -151.796
Base-Backbone interact. energy: -2.646
local terms energy: -285.462557
where:
bonds (distance) C4'-P energy: -86.400
bonds (distance) P-C4' energy: -113.279
flat angles C4'-P-C4' energy: -78.666
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: 19.836
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2037.907920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.907920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.907920 (E_RNA)
where:
Base-Base interactions energy: -1360.292
where: short stacking energy: -575.759
Base-Backbone interact. energy: -2.966
local terms energy: -674.650341
where:
bonds (distance) C4'-P energy: -113.975
bonds (distance) P-C4' energy: -131.124
flat angles C4'-P-C4' energy: -145.248
flat angles P-C4'-P energy: -100.664
tors. eta vs tors. theta energy: -183.639
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: 136
Temperature: 0.950000
Total energy: -1983.882968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.882968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.882968 (E_RNA)
where:
Base-Base interactions energy: -1339.697
where: short stacking energy: -574.108
Base-Backbone interact. energy: 0.209
local terms energy: -644.394510
where:
bonds (distance) C4'-P energy: -117.665
bonds (distance) P-C4' energy: -115.700
flat angles C4'-P-C4' energy: -133.249
flat angles P-C4'-P energy: -97.935
tors. eta vs tors. theta energy: -179.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1915.823124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.823124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.823124 (E_RNA)
where:
Base-Base interactions energy: -1302.041
where: short stacking energy: -530.072
Base-Backbone interact. energy: -1.925
local terms energy: -611.857543
where:
bonds (distance) C4'-P energy: -119.172
bonds (distance) P-C4' energy: -115.167
flat angles C4'-P-C4' energy: -124.499
flat angles P-C4'-P energy: -89.500
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: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1813.394934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.394934 (E_RNA)
where:
Base-Base interactions energy: -1249.795
where: short stacking energy: -509.208
Base-Backbone interact. energy: 0.406
local terms energy: -564.005707
where:
bonds (distance) C4'-P energy: -110.952
bonds (distance) P-C4' energy: -102.070
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -80.626
tors. eta vs tors. theta energy: -151.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1627.555929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.555929 (E_RNA)
where:
Base-Base interactions energy: -1063.327
where: short stacking energy: -457.671
Base-Backbone interact. energy: 0.238
local terms energy: -564.467119
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -106.184
flat angles P-C4'-P energy: -96.613
tors. eta vs tors. theta energy: -123.703
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: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1290.652087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.652087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.652087 (E_RNA)
where:
Base-Base interactions energy: -809.711
where: short stacking energy: -352.881
Base-Backbone interact. energy: 0.665
local terms energy: -481.606882
where:
bonds (distance) C4'-P energy: -112.723
bonds (distance) P-C4' energy: -107.471
flat angles C4'-P-C4' energy: -116.896
flat angles P-C4'-P energy: -70.956
tors. eta vs tors. theta energy: -73.560
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: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1221.503142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.503142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.503142 (E_RNA)
where:
Base-Base interactions energy: -764.323
where: short stacking energy: -338.131
Base-Backbone interact. energy: 4.120
local terms energy: -461.299741
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -100.078
flat angles C4'-P-C4' energy: -110.012
flat angles P-C4'-P energy: -63.450
tors. eta vs tors. theta energy: -76.958
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: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -647.544629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.544629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.544629 (E_RNA)
where:
Base-Base interactions energy: -292.280
where: short stacking energy: -183.092
Base-Backbone interact. energy: -1.585
local terms energy: -353.679333
where:
bonds (distance) C4'-P energy: -100.273
bonds (distance) P-C4' energy: -106.351
flat angles C4'-P-C4' energy: -85.453
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: -15.138
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: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -587.388643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.388643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.388643 (E_RNA)
where:
Base-Base interactions energy: -239.011
where: short stacking energy: -144.152
Base-Backbone interact. energy: -1.531
local terms energy: -346.846099
where:
bonds (distance) C4'-P energy: -91.359
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -98.412
flat angles P-C4'-P energy: -67.834
tors. eta vs tors. theta energy: 17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -475.682161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.682161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.682161 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -114.153
Base-Backbone interact. energy: -0.746
local terms energy: -336.887610
where:
bonds (distance) C4'-P energy: -106.514
bonds (distance) P-C4' energy: -103.992
flat angles C4'-P-C4' energy: -81.290
flat angles P-C4'-P energy: -61.462
tors. eta vs tors. theta energy: 16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2035.836436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.836436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.836436 (E_RNA)
where:
Base-Base interactions energy: -1359.915
where: short stacking energy: -588.304
Base-Backbone interact. energy: -3.241
local terms energy: -672.680746
where:
bonds (distance) C4'-P energy: -114.058
bonds (distance) P-C4' energy: -136.961
flat angles C4'-P-C4' energy: -141.118
flat angles P-C4'-P energy: -94.264
tors. eta vs tors. theta energy: -186.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1981.129833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.129833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.129833 (E_RNA)
where:
Base-Base interactions energy: -1339.044
where: short stacking energy: -563.536
Base-Backbone interact. energy: -5.106
local terms energy: -636.978996
where:
bonds (distance) C4'-P energy: -115.541
bonds (distance) P-C4' energy: -128.515
flat angles C4'-P-C4' energy: -128.837
flat angles P-C4'-P energy: -82.312
tors. eta vs tors. theta energy: -181.774
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1882.611545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.611545 (E_RNA)
where:
Base-Base interactions energy: -1269.971
where: short stacking energy: -511.117
Base-Backbone interact. energy: -3.546
local terms energy: -609.093751
where:
bonds (distance) C4'-P energy: -109.841
bonds (distance) P-C4' energy: -127.406
flat angles C4'-P-C4' energy: -140.872
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -151.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1838.934648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.934648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.934648 (E_RNA)
where:
Base-Base interactions energy: -1243.471
where: short stacking energy: -521.721
Base-Backbone interact. energy: 0.743
local terms energy: -596.205669
where:
bonds (distance) C4'-P energy: -100.978
bonds (distance) P-C4' energy: -120.446
flat angles C4'-P-C4' energy: -129.965
flat angles P-C4'-P energy: -85.800
tors. eta vs tors. theta energy: -159.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1604.446666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.446666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.446666 (E_RNA)
where:
Base-Base interactions energy: -1051.861
where: short stacking energy: -459.179
Base-Backbone interact. energy: 1.391
local terms energy: -553.977498
where:
bonds (distance) C4'-P energy: -108.536
bonds (distance) P-C4' energy: -109.583
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -124.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1406.853685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.853685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.853685 (E_RNA)
where:
Base-Base interactions energy: -883.702
where: short stacking energy: -408.750
Base-Backbone interact. energy: -4.909
local terms energy: -518.242469
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -105.761
flat angles C4'-P-C4' energy: -123.861
flat angles P-C4'-P energy: -68.521
tors. eta vs tors. theta energy: -109.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1216.048333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.048333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.048333 (E_RNA)
where:
Base-Base interactions energy: -765.248
where: short stacking energy: -351.656
Base-Backbone interact. energy: -4.075
local terms energy: -446.724892
where:
bonds (distance) C4'-P energy: -85.817
bonds (distance) P-C4' energy: -106.836
flat angles C4'-P-C4' energy: -114.447
flat angles P-C4'-P energy: -71.026
tors. eta vs tors. theta energy: -68.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -647.505415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.505415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.505415 (E_RNA)
where:
Base-Base interactions energy: -304.098
where: short stacking energy: -177.041
Base-Backbone interact. energy: -0.657
local terms energy: -342.750062
where:
bonds (distance) C4'-P energy: -87.986
bonds (distance) P-C4' energy: -113.574
flat angles C4'-P-C4' energy: -88.513
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -572.402095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.402095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.402095 (E_RNA)
where:
Base-Base interactions energy: -225.298
where: short stacking energy: -157.070
Base-Backbone interact. energy: 4.454
local terms energy: -351.557709
where:
bonds (distance) C4'-P energy: -99.880
bonds (distance) P-C4' energy: -125.461
flat angles C4'-P-C4' energy: -79.679
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -469.016221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.016221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.016221 (E_RNA)
where:
Base-Base interactions energy: -151.481
where: short stacking energy: -120.077
Base-Backbone interact. energy: 0.972
local terms energy: -318.506773
where:
bonds (distance) C4'-P energy: -83.656
bonds (distance) P-C4' energy: -117.549
flat angles C4'-P-C4' energy: -77.220
flat angles P-C4'-P energy: -52.914
tors. eta vs tors. theta energy: 12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2026.533770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.533770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.533770 (E_RNA)
where:
Base-Base interactions energy: -1378.005
where: short stacking energy: -598.616
Base-Backbone interact. energy: -2.410
local terms energy: -646.118458
where:
bonds (distance) C4'-P energy: -118.848
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -138.469
flat angles P-C4'-P energy: -92.940
tors. eta vs tors. theta energy: -177.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1993.939300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.939300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.939300 (E_RNA)
where:
Base-Base interactions energy: -1351.010
where: short stacking energy: -566.850
Base-Backbone interact. energy: -0.346
local terms energy: -642.583422
where:
bonds (distance) C4'-P energy: -113.568
bonds (distance) P-C4' energy: -114.401
flat angles C4'-P-C4' energy: -141.559
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -177.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1913.366888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.366888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.366888 (E_RNA)
where:
Base-Base interactions energy: -1314.980
where: short stacking energy: -559.972
Base-Backbone interact. energy: -1.627
local terms energy: -596.759394
where:
bonds (distance) C4'-P energy: -109.743
bonds (distance) P-C4' energy: -115.249
flat angles C4'-P-C4' energy: -125.855
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -159.801
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: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1809.021602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.021602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.021602 (E_RNA)
where:
Base-Base interactions energy: -1218.252
where: short stacking energy: -504.244
Base-Backbone interact. energy: -1.712
local terms energy: -589.056846
where:
bonds (distance) C4'-P energy: -117.710
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -124.479
flat angles P-C4'-P energy: -70.950
tors. eta vs tors. theta energy: -159.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1613.438187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.438187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.438187 (E_RNA)
where:
Base-Base interactions energy: -1061.027
where: short stacking energy: -479.079
Base-Backbone interact. energy: -0.640
local terms energy: -551.771397
where:
bonds (distance) C4'-P energy: -106.213
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -113.433
flat angles P-C4'-P energy: -86.619
tors. eta vs tors. theta energy: -137.654
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1396.175990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.175990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.175990 (E_RNA)
where:
Base-Base interactions energy: -922.996
where: short stacking energy: -407.271
Base-Backbone interact. energy: -0.415
local terms energy: -472.764509
where:
bonds (distance) C4'-P energy: -98.386
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -98.562
flat angles P-C4'-P energy: -68.488
tors. eta vs tors. theta energy: -105.064
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: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1178.822866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.822866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.822866 (E_RNA)
where:
Base-Base interactions energy: -717.214
where: short stacking energy: -321.938
Base-Backbone interact. energy: -0.050
local terms energy: -461.558982
where:
bonds (distance) C4'-P energy: -102.535
bonds (distance) P-C4' energy: -101.476
flat angles C4'-P-C4' energy: -114.336
flat angles P-C4'-P energy: -79.178
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -616.934811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.934811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.934811 (E_RNA)
where:
Base-Base interactions energy: -248.214
where: short stacking energy: -158.105
Base-Backbone interact. energy: -1.636
local terms energy: -367.084214
where:
bonds (distance) C4'-P energy: -97.407
bonds (distance) P-C4' energy: -105.988
flat angles C4'-P-C4' energy: -96.965
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -6.748
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -567.673418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.673418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.673418 (E_RNA)
where:
Base-Base interactions energy: -239.985
where: short stacking energy: -153.755
Base-Backbone interact. energy: 5.110
local terms energy: -332.798511
where:
bonds (distance) C4'-P energy: -102.552
bonds (distance) P-C4' energy: -113.107
flat angles C4'-P-C4' energy: -105.657
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: 32.926
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: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -465.475537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.475537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.475537 (E_RNA)
where:
Base-Base interactions energy: -135.605
where: short stacking energy: -115.446
Base-Backbone interact. energy: -1.368
local terms energy: -328.502566
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -113.038
flat angles C4'-P-C4' energy: -109.210
flat angles P-C4'-P energy: -33.369
tors. eta vs tors. theta energy: 28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2009.453545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.453545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.453545 (E_RNA)
where:
Base-Base interactions energy: -1364.507
where: short stacking energy: -585.348
Base-Backbone interact. energy: -2.192
local terms energy: -642.753876
where:
bonds (distance) C4'-P energy: -106.876
bonds (distance) P-C4' energy: -131.754
flat angles C4'-P-C4' energy: -144.602
flat angles P-C4'-P energy: -85.001
tors. eta vs tors. theta energy: -174.520
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: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1974.932949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.932949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.932949 (E_RNA)
where:
Base-Base interactions energy: -1347.686
where: short stacking energy: -597.388
Base-Backbone interact. energy: 1.244
local terms energy: -628.490762
where:
bonds (distance) C4'-P energy: -118.075
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -131.048
flat angles P-C4'-P energy: -86.801
tors. eta vs tors. theta energy: -174.085
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1924.537755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.537755 (E_RNA)
where:
Base-Base interactions energy: -1313.742
where: short stacking energy: -585.712
Base-Backbone interact. energy: -3.110
local terms energy: -607.685517
where:
bonds (distance) C4'-P energy: -114.025
bonds (distance) P-C4' energy: -98.860
flat angles C4'-P-C4' energy: -138.792
flat angles P-C4'-P energy: -83.028
tors. eta vs tors. theta energy: -172.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1808.582478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.582478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.582478 (E_RNA)
where:
Base-Base interactions energy: -1237.189
where: short stacking energy: -511.052
Base-Backbone interact. energy: -1.472
local terms energy: -569.921153
where:
bonds (distance) C4'-P energy: -108.620
bonds (distance) P-C4' energy: -109.659
flat angles C4'-P-C4' energy: -123.435
flat angles P-C4'-P energy: -75.625
tors. eta vs tors. theta energy: -152.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1586.375336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.375336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.375336 (E_RNA)
where:
Base-Base interactions energy: -1033.821
where: short stacking energy: -437.464
Base-Backbone interact. energy: 2.143
local terms energy: -554.697015
where:
bonds (distance) C4'-P energy: -119.645
bonds (distance) P-C4' energy: -101.741
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -74.455
tors. eta vs tors. theta energy: -135.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1411.576742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.576742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.576742 (E_RNA)
where:
Base-Base interactions energy: -885.644
where: short stacking energy: -389.634
Base-Backbone interact. energy: 1.549
local terms energy: -527.481742
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -109.229
flat angles C4'-P-C4' energy: -116.314
flat angles P-C4'-P energy: -78.535
tors. eta vs tors. theta energy: -117.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1148.282361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.282361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.282361 (E_RNA)
where:
Base-Base interactions energy: -695.831
where: short stacking energy: -335.946
Base-Backbone interact. energy: -2.911
local terms energy: -449.540334
where:
bonds (distance) C4'-P energy: -92.477
bonds (distance) P-C4' energy: -123.519
flat angles C4'-P-C4' energy: -106.500
flat angles P-C4'-P energy: -51.768
tors. eta vs tors. theta energy: -75.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -616.200016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.200016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.200016 (E_RNA)
where:
Base-Base interactions energy: -272.498
where: short stacking energy: -173.344
Base-Backbone interact. energy: -0.760
local terms energy: -342.942328
where:
bonds (distance) C4'-P energy: -97.595
bonds (distance) P-C4' energy: -112.340
flat angles C4'-P-C4' energy: -85.459
flat angles P-C4'-P energy: -58.704
tors. eta vs tors. theta energy: 11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -601.830077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.830077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.830077 (E_RNA)
where:
Base-Base interactions energy: -253.053
where: short stacking energy: -169.198
Base-Backbone interact. energy: 2.576
local terms energy: -351.352943
where:
bonds (distance) C4'-P energy: -97.358
bonds (distance) P-C4' energy: -113.602
flat angles C4'-P-C4' energy: -78.145
flat angles P-C4'-P energy: -57.662
tors. eta vs tors. theta energy: -4.585
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: 139
Temperature: 1.350000
Total energy: -450.614766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.614766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.614766 (E_RNA)
where:
Base-Base interactions energy: -151.125
where: short stacking energy: -124.071
Base-Backbone interact. energy: 2.336
local terms energy: -301.825956
where:
bonds (distance) C4'-P energy: -110.468
bonds (distance) P-C4' energy: -110.542
flat angles C4'-P-C4' energy: -87.876
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: 34.896
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: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2025.767300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.767300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.767300 (E_RNA)
where:
Base-Base interactions energy: -1354.146
where: short stacking energy: -592.235
Base-Backbone interact. energy: -2.767
local terms energy: -668.854044
where:
bonds (distance) C4'-P energy: -117.668
bonds (distance) P-C4' energy: -137.930
flat angles C4'-P-C4' energy: -143.736
flat angles P-C4'-P energy: -91.372
tors. eta vs tors. theta energy: -178.149
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: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1974.805658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.805658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.805658 (E_RNA)
where:
Base-Base interactions energy: -1334.026
where: short stacking energy: -564.485
Base-Backbone interact. energy: -1.258
local terms energy: -639.522105
where:
bonds (distance) C4'-P energy: -119.829
bonds (distance) P-C4' energy: -124.431
flat angles C4'-P-C4' energy: -141.255
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -174.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1924.571724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.571724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.571724 (E_RNA)
where:
Base-Base interactions energy: -1310.116
where: short stacking energy: -535.187
Base-Backbone interact. energy: -1.857
local terms energy: -612.598125
where:
bonds (distance) C4'-P energy: -112.059
bonds (distance) P-C4' energy: -107.599
flat angles C4'-P-C4' energy: -130.244
flat angles P-C4'-P energy: -95.118
tors. eta vs tors. theta energy: -167.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1810.577571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.577571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.577571 (E_RNA)
where:
Base-Base interactions energy: -1218.994
where: short stacking energy: -520.194
Base-Backbone interact. energy: -2.836
local terms energy: -588.747032
where:
bonds (distance) C4'-P energy: -110.018
bonds (distance) P-C4' energy: -114.032
flat angles C4'-P-C4' energy: -129.573
flat angles P-C4'-P energy: -83.116
tors. eta vs tors. theta energy: -152.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1653.110734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.110734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.110734 (E_RNA)
where:
Base-Base interactions energy: -1096.986
where: short stacking energy: -464.371
Base-Backbone interact. energy: 2.145
local terms energy: -558.269465
where:
bonds (distance) C4'-P energy: -107.152
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -115.722
flat angles P-C4'-P energy: -87.614
tors. eta vs tors. theta energy: -135.239
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: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1432.192732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.192732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.192732 (E_RNA)
where:
Base-Base interactions energy: -924.221
where: short stacking energy: -397.377
Base-Backbone interact. energy: 3.872
local terms energy: -511.843202
where:
bonds (distance) C4'-P energy: -104.578
bonds (distance) P-C4' energy: -129.011
flat angles C4'-P-C4' energy: -112.498
flat angles P-C4'-P energy: -65.498
tors. eta vs tors. theta energy: -100.258
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: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1091.564459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.564459 (E_RNA)
where:
Base-Base interactions energy: -659.369
where: short stacking energy: -297.926
Base-Backbone interact. energy: -3.464
local terms energy: -428.731679
where:
bonds (distance) C4'-P energy: -105.517
bonds (distance) P-C4' energy: -104.716
flat angles C4'-P-C4' energy: -109.400
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -54.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -622.950125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.950125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.950125 (E_RNA)
where:
Base-Base interactions energy: -261.334
where: short stacking energy: -193.451
Base-Backbone interact. energy: 0.103
local terms energy: -361.719218
where:
bonds (distance) C4'-P energy: -101.919
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -108.768
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -13.671
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: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -564.093979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.093979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.093979 (E_RNA)
where:
Base-Base interactions energy: -239.040
where: short stacking energy: -162.812
Base-Backbone interact. energy: 0.635
local terms energy: -325.689646
where:
bonds (distance) C4'-P energy: -94.206
bonds (distance) P-C4' energy: -113.092
flat angles C4'-P-C4' energy: -79.287
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: 8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -451.390524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.390524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.390524 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -118.014
Base-Backbone interact. energy: -2.804
local terms energy: -290.687786
where:
bonds (distance) C4'-P energy: -96.024
bonds (distance) P-C4' energy: -97.815
flat angles C4'-P-C4' energy: -74.414
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: 18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2023.278577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.278577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.278577 (E_RNA)
where:
Base-Base interactions energy: -1341.331
where: short stacking energy: -588.559
Base-Backbone interact. energy: -2.121
local terms energy: -679.825853
where:
bonds (distance) C4'-P energy: -125.329
bonds (distance) P-C4' energy: -126.001
flat angles C4'-P-C4' energy: -146.782
flat angles P-C4'-P energy: -100.342
tors. eta vs tors. theta energy: -181.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1966.395677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.395677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.395677 (E_RNA)
where:
Base-Base interactions energy: -1354.996
where: short stacking energy: -546.071
Base-Backbone interact. energy: 0.998
local terms energy: -612.397771
where:
bonds (distance) C4'-P energy: -109.614
bonds (distance) P-C4' energy: -120.452
flat angles C4'-P-C4' energy: -132.019
flat angles P-C4'-P energy: -81.104
tors. eta vs tors. theta energy: -169.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1919.982952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.982952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.982952 (E_RNA)
where:
Base-Base interactions energy: -1312.649
where: short stacking energy: -544.674
Base-Backbone interact. energy: -2.308
local terms energy: -605.026217
where:
bonds (distance) C4'-P energy: -111.000
bonds (distance) P-C4' energy: -113.581
flat angles C4'-P-C4' energy: -124.484
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -174.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1780.211468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.211468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.211468 (E_RNA)
where:
Base-Base interactions energy: -1206.928
where: short stacking energy: -502.759
Base-Backbone interact. energy: -2.831
local terms energy: -570.452416
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -102.140
flat angles C4'-P-C4' energy: -133.779
flat angles P-C4'-P energy: -80.999
tors. eta vs tors. theta energy: -151.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1660.014721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.014721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.014721 (E_RNA)
where:
Base-Base interactions energy: -1122.751
where: short stacking energy: -480.909
Base-Backbone interact. energy: -1.523
local terms energy: -535.740835
where:
bonds (distance) C4'-P energy: -113.283
bonds (distance) P-C4' energy: -103.326
flat angles C4'-P-C4' energy: -110.886
flat angles P-C4'-P energy: -64.706
tors. eta vs tors. theta energy: -143.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1441.296563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.296563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.296563 (E_RNA)
where:
Base-Base interactions energy: -926.489
where: short stacking energy: -404.858
Base-Backbone interact. energy: -2.319
local terms energy: -512.488761
where:
bonds (distance) C4'-P energy: -96.585
bonds (distance) P-C4' energy: -108.228
flat angles C4'-P-C4' energy: -115.937
flat angles P-C4'-P energy: -70.050
tors. eta vs tors. theta energy: -121.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1148.547517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.547517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.547517 (E_RNA)
where:
Base-Base interactions energy: -704.708
where: short stacking energy: -318.913
Base-Backbone interact. energy: -2.237
local terms energy: -441.601572
where:
bonds (distance) C4'-P energy: -114.402
bonds (distance) P-C4' energy: -110.865
flat angles C4'-P-C4' energy: -105.672
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -59.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -662.350265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.350265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.350265 (E_RNA)
where:
Base-Base interactions energy: -292.024
where: short stacking energy: -190.991
Base-Backbone interact. energy: -0.295
local terms energy: -370.030779
where:
bonds (distance) C4'-P energy: -91.170
bonds (distance) P-C4' energy: -108.502
flat angles C4'-P-C4' energy: -91.795
flat angles P-C4'-P energy: -64.320
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -592.947121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.947121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.947121 (E_RNA)
where:
Base-Base interactions energy: -265.293
where: short stacking energy: -166.227
Base-Backbone interact. energy: -1.389
local terms energy: -326.265512
where:
bonds (distance) C4'-P energy: -96.522
bonds (distance) P-C4' energy: -106.099
flat angles C4'-P-C4' energy: -85.976
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: 8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -554.327797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.327797 (E_RNA)
where:
Base-Base interactions energy: -229.069
where: short stacking energy: -143.573
Base-Backbone interact. energy: -0.994
local terms energy: -324.264296
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -108.721
flat angles C4'-P-C4' energy: -93.084
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1983.834973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.834973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.834973 (E_RNA)
where:
Base-Base interactions energy: -1327.460
where: short stacking energy: -572.751
Base-Backbone interact. energy: -5.261
local terms energy: -651.113706
where:
bonds (distance) C4'-P energy: -118.599
bonds (distance) P-C4' energy: -129.569
flat angles C4'-P-C4' energy: -138.709
flat angles P-C4'-P energy: -94.942
tors. eta vs tors. theta energy: -169.295
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: 142
Temperature: 0.950000
Total energy: -2010.458133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.458133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.458133 (E_RNA)
where:
Base-Base interactions energy: -1385.733
where: short stacking energy: -601.043
Base-Backbone interact. energy: 0.449
local terms energy: -625.174528
where:
bonds (distance) C4'-P energy: -124.501
bonds (distance) P-C4' energy: -106.153
flat angles C4'-P-C4' energy: -133.474
flat angles P-C4'-P energy: -85.934
tors. eta vs tors. theta energy: -175.112
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: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1887.358597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.358597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.358597 (E_RNA)
where:
Base-Base interactions energy: -1275.734
where: short stacking energy: -542.553
Base-Backbone interact. energy: -2.967
local terms energy: -608.658294
where:
bonds (distance) C4'-P energy: -110.759
bonds (distance) P-C4' energy: -107.851
flat angles C4'-P-C4' energy: -136.327
flat angles P-C4'-P energy: -90.924
tors. eta vs tors. theta energy: -162.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1824.070607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.070607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.070607 (E_RNA)
where:
Base-Base interactions energy: -1223.737
where: short stacking energy: -521.444
Base-Backbone interact. energy: -3.048
local terms energy: -597.284938
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -118.776
flat angles C4'-P-C4' energy: -121.717
flat angles P-C4'-P energy: -95.227
tors. eta vs tors. theta energy: -163.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1659.926504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.926504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.926504 (E_RNA)
where:
Base-Base interactions energy: -1089.271
where: short stacking energy: -475.627
Base-Backbone interact. energy: -4.759
local terms energy: -565.896154
where:
bonds (distance) C4'-P energy: -101.683
bonds (distance) P-C4' energy: -115.569
flat angles C4'-P-C4' energy: -127.565
flat angles P-C4'-P energy: -87.231
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: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1342.013224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.013224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.013224 (E_RNA)
where:
Base-Base interactions energy: -857.247
where: short stacking energy: -371.922
Base-Backbone interact. energy: -3.014
local terms energy: -481.752296
where:
bonds (distance) C4'-P energy: -113.666
bonds (distance) P-C4' energy: -112.751
flat angles C4'-P-C4' energy: -109.538
flat angles P-C4'-P energy: -58.239
tors. eta vs tors. theta energy: -87.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1258.521805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.521805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.521805 (E_RNA)
where:
Base-Base interactions energy: -829.519
where: short stacking energy: -365.964
Base-Backbone interact. energy: 3.762
local terms energy: -432.764342
where:
bonds (distance) C4'-P energy: -88.661
bonds (distance) P-C4' energy: -104.203
flat angles C4'-P-C4' energy: -103.915
flat angles P-C4'-P energy: -56.198
tors. eta vs tors. theta energy: -79.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -652.001674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.001674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.001674 (E_RNA)
where:
Base-Base interactions energy: -276.312
where: short stacking energy: -187.627
Base-Backbone interact. energy: 0.712
local terms energy: -376.400922
where:
bonds (distance) C4'-P energy: -106.962
bonds (distance) P-C4' energy: -105.817
flat angles C4'-P-C4' energy: -104.519
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -540.784219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.784219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.784219 (E_RNA)
where:
Base-Base interactions energy: -214.786
where: short stacking energy: -164.239
Base-Backbone interact. energy: -1.834
local terms energy: -324.163874
where:
bonds (distance) C4'-P energy: -86.005
bonds (distance) P-C4' energy: -88.118
flat angles C4'-P-C4' energy: -80.223
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -522.309024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.309024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.309024 (E_RNA)
where:
Base-Base interactions energy: -227.604
where: short stacking energy: -160.880
Base-Backbone interact. energy: 5.128
local terms energy: -299.833455
where:
bonds (distance) C4'-P energy: -100.649
bonds (distance) P-C4' energy: -98.299
flat angles C4'-P-C4' energy: -64.782
flat angles P-C4'-P energy: -48.223
tors. eta vs tors. theta energy: 12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2013.928265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.928265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.928265 (E_RNA)
where:
Base-Base interactions energy: -1361.335
where: short stacking energy: -599.309
Base-Backbone interact. energy: -2.551
local terms energy: -650.041441
where:
bonds (distance) C4'-P energy: -129.135
bonds (distance) P-C4' energy: -127.845
flat angles C4'-P-C4' energy: -135.250
flat angles P-C4'-P energy: -89.754
tors. eta vs tors. theta energy: -168.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1978.511260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.511260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.511260 (E_RNA)
where:
Base-Base interactions energy: -1334.560
where: short stacking energy: -567.795
Base-Backbone interact. energy: -1.204
local terms energy: -642.747763
where:
bonds (distance) C4'-P energy: -125.619
bonds (distance) P-C4' energy: -132.288
flat angles C4'-P-C4' energy: -121.430
flat angles P-C4'-P energy: -86.916
tors. eta vs tors. theta energy: -176.495
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: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1895.840372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.840372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.840372 (E_RNA)
where:
Base-Base interactions energy: -1267.692
where: short stacking energy: -548.648
Base-Backbone interact. energy: -2.014
local terms energy: -626.134296
where:
bonds (distance) C4'-P energy: -113.422
bonds (distance) P-C4' energy: -117.398
flat angles C4'-P-C4' energy: -135.080
flat angles P-C4'-P energy: -89.368
tors. eta vs tors. theta energy: -170.867
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: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1823.481675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.481675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.481675 (E_RNA)
where:
Base-Base interactions energy: -1224.359
where: short stacking energy: -487.149
Base-Backbone interact. energy: -4.324
local terms energy: -594.798727
where:
bonds (distance) C4'-P energy: -102.724
bonds (distance) P-C4' energy: -121.812
flat angles C4'-P-C4' energy: -136.366
flat angles P-C4'-P energy: -78.612
tors. eta vs tors. theta energy: -155.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1675.210719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.210719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.210719 (E_RNA)
where:
Base-Base interactions energy: -1126.136
where: short stacking energy: -469.240
Base-Backbone interact. energy: 0.827
local terms energy: -549.901843
where:
bonds (distance) C4'-P energy: -106.345
bonds (distance) P-C4' energy: -112.076
flat angles C4'-P-C4' energy: -120.160
flat angles P-C4'-P energy: -82.371
tors. eta vs tors. theta energy: -128.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1367.850340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.850340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.850340 (E_RNA)
where:
Base-Base interactions energy: -892.615
where: short stacking energy: -395.089
Base-Backbone interact. energy: -2.131
local terms energy: -473.104892
where:
bonds (distance) C4'-P energy: -93.486
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -109.001
flat angles P-C4'-P energy: -63.220
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: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1348.939752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.939752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.939752 (E_RNA)
where:
Base-Base interactions energy: -862.240
where: short stacking energy: -368.983
Base-Backbone interact. energy: -1.779
local terms energy: -484.920537
where:
bonds (distance) C4'-P energy: -104.320
bonds (distance) P-C4' energy: -122.284
flat angles C4'-P-C4' energy: -106.315
flat angles P-C4'-P energy: -57.885
tors. eta vs tors. theta energy: -94.116
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: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -651.539537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.539537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.539537 (E_RNA)
where:
Base-Base interactions energy: -318.947
where: short stacking energy: -192.871
Base-Backbone interact. energy: 4.419
local terms energy: -337.011405
where:
bonds (distance) C4'-P energy: -97.928
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -102.977
flat angles P-C4'-P energy: -46.112
tors. eta vs tors. theta energy: 7.238
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: 143
Temperature: 1.300000
Total energy: -516.496389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.496389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.496389 (E_RNA)
where:
Base-Base interactions energy: -197.598
where: short stacking energy: -150.404
Base-Backbone interact. energy: -0.653
local terms energy: -318.245741
where:
bonds (distance) C4'-P energy: -92.821
bonds (distance) P-C4' energy: -111.285
flat angles C4'-P-C4' energy: -79.375
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: 7.777
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: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -532.501275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.501275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.501275 (E_RNA)
where:
Base-Base interactions energy: -217.686
where: short stacking energy: -138.712
Base-Backbone interact. energy: -3.074
local terms energy: -311.741805
where:
bonds (distance) C4'-P energy: -103.310
bonds (distance) P-C4' energy: -93.072
flat angles C4'-P-C4' energy: -88.398
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: 23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2047.825989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.825989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.825989 (E_RNA)
where:
Base-Base interactions energy: -1384.080
where: short stacking energy: -591.584
Base-Backbone interact. energy: 2.498
local terms energy: -666.244434
where:
bonds (distance) C4'-P energy: -128.874
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -144.583
flat angles P-C4'-P energy: -101.176
tors. eta vs tors. theta energy: -174.630
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: 144
Temperature: 0.950000
Total energy: -1942.724495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.724495 (E_RNA)
where:
Base-Base interactions energy: -1300.712
where: short stacking energy: -543.267
Base-Backbone interact. energy: -2.500
local terms energy: -639.512796
where:
bonds (distance) C4'-P energy: -117.629
bonds (distance) P-C4' energy: -123.337
flat angles C4'-P-C4' energy: -144.186
flat angles P-C4'-P energy: -91.466
tors. eta vs tors. theta energy: -162.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1868.956879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.956879 (E_RNA)
where:
Base-Base interactions energy: -1270.605
where: short stacking energy: -509.726
Base-Backbone interact. energy: 1.422
local terms energy: -599.773222
where:
bonds (distance) C4'-P energy: -124.091
bonds (distance) P-C4' energy: -113.609
flat angles C4'-P-C4' energy: -123.019
flat angles P-C4'-P energy: -84.425
tors. eta vs tors. theta energy: -154.630
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: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1832.202074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.202074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.202074 (E_RNA)
where:
Base-Base interactions energy: -1231.654
where: short stacking energy: -514.743
Base-Backbone interact. energy: -3.197
local terms energy: -597.351489
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -134.981
flat angles P-C4'-P energy: -73.837
tors. eta vs tors. theta energy: -168.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1732.856704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.856704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.856704 (E_RNA)
where:
Base-Base interactions energy: -1173.442
where: short stacking energy: -482.117
Base-Backbone interact. energy: -1.808
local terms energy: -557.606578
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -124.738
flat angles P-C4'-P energy: -78.937
tors. eta vs tors. theta energy: -133.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1407.763507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.763507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.763507 (E_RNA)
where:
Base-Base interactions energy: -922.554
where: short stacking energy: -394.474
Base-Backbone interact. energy: -2.053
local terms energy: -483.155741
where:
bonds (distance) C4'-P energy: -106.848
bonds (distance) P-C4' energy: -92.155
flat angles C4'-P-C4' energy: -112.240
flat angles P-C4'-P energy: -68.777
tors. eta vs tors. theta energy: -103.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1385.651783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.651783 (E_RNA)
where:
Base-Base interactions energy: -911.090
where: short stacking energy: -407.835
Base-Backbone interact. energy: -0.926
local terms energy: -473.635615
where:
bonds (distance) C4'-P energy: -91.026
bonds (distance) P-C4' energy: -103.153
flat angles C4'-P-C4' energy: -99.796
flat angles P-C4'-P energy: -77.717
tors. eta vs tors. theta energy: -101.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -646.642388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.642388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.642388 (E_RNA)
where:
Base-Base interactions energy: -288.864
where: short stacking energy: -185.822
Base-Backbone interact. energy: 3.464
local terms energy: -361.242370
where:
bonds (distance) C4'-P energy: -90.629
bonds (distance) P-C4' energy: -111.984
flat angles C4'-P-C4' energy: -96.750
flat angles P-C4'-P energy: -59.781
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -567.685805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.685805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.685805 (E_RNA)
where:
Base-Base interactions energy: -229.258
where: short stacking energy: -146.411
Base-Backbone interact. energy: 7.712
local terms energy: -346.139633
where:
bonds (distance) C4'-P energy: -110.934
bonds (distance) P-C4' energy: -97.382
flat angles C4'-P-C4' energy: -96.993
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: 20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -488.695308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.695308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.695308 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -111.354
Base-Backbone interact. energy: -3.838
local terms energy: -337.550328
where:
bonds (distance) C4'-P energy: -85.065
bonds (distance) P-C4' energy: -134.116
flat angles C4'-P-C4' energy: -86.813
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: 28.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2043.415384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.415384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.415384 (E_RNA)
where:
Base-Base interactions energy: -1393.902
where: short stacking energy: -579.247
Base-Backbone interact. energy: -3.140
local terms energy: -646.373787
where:
bonds (distance) C4'-P energy: -125.780
bonds (distance) P-C4' energy: -117.809
flat angles C4'-P-C4' energy: -142.012
flat angles P-C4'-P energy: -86.689
tors. eta vs tors. theta energy: -174.085
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: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1987.115539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.115539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.115539 (E_RNA)
where:
Base-Base interactions energy: -1341.434
where: short stacking energy: -575.899
Base-Backbone interact. energy: -0.724
local terms energy: -644.957317
where:
bonds (distance) C4'-P energy: -118.172
bonds (distance) P-C4' energy: -136.036
flat angles C4'-P-C4' energy: -122.303
flat angles P-C4'-P energy: -94.748
tors. eta vs tors. theta energy: -173.699
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: 145
Temperature: 1.000000
Total energy: -1896.145422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.145422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.145422 (E_RNA)
where:
Base-Base interactions energy: -1279.187
where: short stacking energy: -518.478
Base-Backbone interact. energy: -3.633
local terms energy: -613.325119
where:
bonds (distance) C4'-P energy: -106.396
bonds (distance) P-C4' energy: -135.755
flat angles C4'-P-C4' energy: -133.596
flat angles P-C4'-P energy: -70.262
tors. eta vs tors. theta energy: -167.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1835.161835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.161835 (E_RNA)
where:
Base-Base interactions energy: -1252.559
where: short stacking energy: -529.772
Base-Backbone interact. energy: -1.242
local terms energy: -581.360128
where:
bonds (distance) C4'-P energy: -97.017
bonds (distance) P-C4' energy: -128.059
flat angles C4'-P-C4' energy: -128.437
flat angles P-C4'-P energy: -72.352
tors. eta vs tors. theta energy: -155.495
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: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1694.585800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.585800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.585800 (E_RNA)
where:
Base-Base interactions energy: -1128.460
where: short stacking energy: -461.283
Base-Backbone interact. energy: -1.854
local terms energy: -564.271819
where:
bonds (distance) C4'-P energy: -113.786
bonds (distance) P-C4' energy: -110.750
flat angles C4'-P-C4' energy: -116.958
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -139.975
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: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1491.215859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.215859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.215859 (E_RNA)
where:
Base-Base interactions energy: -945.960
where: short stacking energy: -448.682
Base-Backbone interact. energy: 1.114
local terms energy: -546.370096
where:
bonds (distance) C4'-P energy: -104.788
bonds (distance) P-C4' energy: -87.936
flat angles C4'-P-C4' energy: -137.036
flat angles P-C4'-P energy: -84.995
tors. eta vs tors. theta energy: -131.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1198.706611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.706611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.706611 (E_RNA)
where:
Base-Base interactions energy: -730.866
where: short stacking energy: -332.775
Base-Backbone interact. energy: -0.704
local terms energy: -467.136041
where:
bonds (distance) C4'-P energy: -98.831
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -107.234
flat angles P-C4'-P energy: -66.878
tors. eta vs tors. theta energy: -69.467
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: 145
Temperature: 1.250000
Total energy: -699.263129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.263129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.263129 (E_RNA)
where:
Base-Base interactions energy: -323.369
where: short stacking energy: -202.764
Base-Backbone interact. energy: -0.450
local terms energy: -375.444328
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -93.021
flat angles C4'-P-C4' energy: -93.048
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -591.567643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.567643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.567643 (E_RNA)
where:
Base-Base interactions energy: -266.761
where: short stacking energy: -159.467
Base-Backbone interact. energy: 1.572
local terms energy: -326.379407
where:
bonds (distance) C4'-P energy: -91.857
bonds (distance) P-C4' energy: -98.346
flat angles C4'-P-C4' energy: -91.791
flat angles P-C4'-P energy: -57.714
tors. eta vs tors. theta energy: 13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -463.319845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.319845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.319845 (E_RNA)
where:
Base-Base interactions energy: -121.027
where: short stacking energy: -101.684
Base-Backbone interact. energy: -2.352
local terms energy: -339.940716
where:
bonds (distance) C4'-P energy: -103.551
bonds (distance) P-C4' energy: -112.452
flat angles C4'-P-C4' energy: -94.019
flat angles P-C4'-P energy: -62.785
tors. eta vs tors. theta energy: 32.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2064.828800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.828800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.828800 (E_RNA)
where:
Base-Base interactions energy: -1390.318
where: short stacking energy: -589.804
Base-Backbone interact. energy: -2.712
local terms energy: -671.798335
where:
bonds (distance) C4'-P energy: -129.370
bonds (distance) P-C4' energy: -113.209
flat angles C4'-P-C4' energy: -144.391
flat angles P-C4'-P energy: -103.657
tors. eta vs tors. theta energy: -181.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1990.328419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.328419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.328419 (E_RNA)
where:
Base-Base interactions energy: -1347.882
where: short stacking energy: -568.010
Base-Backbone interact. energy: -3.160
local terms energy: -639.286868
where:
bonds (distance) C4'-P energy: -115.222
bonds (distance) P-C4' energy: -112.548
flat angles C4'-P-C4' energy: -133.734
flat angles P-C4'-P energy: -91.028
tors. eta vs tors. theta energy: -186.755
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: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1894.463546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.463546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.463546 (E_RNA)
where:
Base-Base interactions energy: -1289.379
where: short stacking energy: -532.109
Base-Backbone interact. energy: 2.264
local terms energy: -607.348114
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -120.665
flat angles C4'-P-C4' energy: -126.026
flat angles P-C4'-P energy: -85.144
tors. eta vs tors. theta energy: -165.352
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: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1847.029499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.029499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.029499 (E_RNA)
where:
Base-Base interactions energy: -1268.371
where: short stacking energy: -528.940
Base-Backbone interact. energy: -1.270
local terms energy: -577.387648
where:
bonds (distance) C4'-P energy: -99.625
bonds (distance) P-C4' energy: -110.636
flat angles C4'-P-C4' energy: -130.013
flat angles P-C4'-P energy: -70.486
tors. eta vs tors. theta energy: -166.628
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: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1682.395426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.395426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.395426 (E_RNA)
where:
Base-Base interactions energy: -1123.868
where: short stacking energy: -455.995
Base-Backbone interact. energy: -2.317
local terms energy: -556.209661
where:
bonds (distance) C4'-P energy: -115.187
bonds (distance) P-C4' energy: -114.744
flat angles C4'-P-C4' energy: -121.480
flat angles P-C4'-P energy: -77.682
tors. eta vs tors. theta energy: -127.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1459.969101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.969101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.969101 (E_RNA)
where:
Base-Base interactions energy: -906.755
where: short stacking energy: -417.505
Base-Backbone interact. energy: -5.985
local terms energy: -547.229154
where:
bonds (distance) C4'-P energy: -114.651
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -117.408
flat angles P-C4'-P energy: -80.472
tors. eta vs tors. theta energy: -118.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1146.215427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.215427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.215427 (E_RNA)
where:
Base-Base interactions energy: -677.982
where: short stacking energy: -311.247
Base-Backbone interact. energy: -5.346
local terms energy: -462.887442
where:
bonds (distance) C4'-P energy: -102.461
bonds (distance) P-C4' energy: -110.254
flat angles C4'-P-C4' energy: -107.971
flat angles P-C4'-P energy: -70.272
tors. eta vs tors. theta energy: -71.930
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: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -671.942832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.942832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.942832 (E_RNA)
where:
Base-Base interactions energy: -329.325
where: short stacking energy: -208.440
Base-Backbone interact. energy: 3.764
local terms energy: -346.381661
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -87.755
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: 1.954
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -558.602910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.602910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.602910 (E_RNA)
where:
Base-Base interactions energy: -230.989
where: short stacking energy: -150.746
Base-Backbone interact. energy: 1.723
local terms energy: -329.337270
where:
bonds (distance) C4'-P energy: -103.719
bonds (distance) P-C4' energy: -98.403
flat angles C4'-P-C4' energy: -70.463
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -485.528416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.528416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.528416 (E_RNA)
where:
Base-Base interactions energy: -169.891
where: short stacking energy: -140.449
Base-Backbone interact. energy: -3.917
local terms energy: -311.720645
where:
bonds (distance) C4'-P energy: -90.519
bonds (distance) P-C4' energy: -105.241
flat angles C4'-P-C4' energy: -92.225
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: 22.051
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: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2022.637689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.637689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.637689 (E_RNA)
where:
Base-Base interactions energy: -1379.430
where: short stacking energy: -580.551
Base-Backbone interact. energy: -2.198
local terms energy: -641.009798
where:
bonds (distance) C4'-P energy: -116.372
bonds (distance) P-C4' energy: -122.361
flat angles C4'-P-C4' energy: -137.939
flat angles P-C4'-P energy: -93.022
tors. eta vs tors. theta energy: -171.316
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: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1968.916250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.916250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.916250 (E_RNA)
where:
Base-Base interactions energy: -1334.848
where: short stacking energy: -571.176
Base-Backbone interact. energy: -3.706
local terms energy: -630.361796
where:
bonds (distance) C4'-P energy: -124.191
bonds (distance) P-C4' energy: -116.025
flat angles C4'-P-C4' energy: -133.670
flat angles P-C4'-P energy: -78.114
tors. eta vs tors. theta energy: -178.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1939.259281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.259281 (E_RNA)
where:
Base-Base interactions energy: -1310.429
where: short stacking energy: -577.124
Base-Backbone interact. energy: 1.661
local terms energy: -630.492021
where:
bonds (distance) C4'-P energy: -117.916
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -135.266
flat angles P-C4'-P energy: -71.032
tors. eta vs tors. theta energy: -180.520
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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1837.241025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.241025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.241025 (E_RNA)
where:
Base-Base interactions energy: -1258.880
where: short stacking energy: -512.617
Base-Backbone interact. energy: -2.767
local terms energy: -575.594203
where:
bonds (distance) C4'-P energy: -91.640
bonds (distance) P-C4' energy: -114.230
flat angles C4'-P-C4' energy: -130.867
flat angles P-C4'-P energy: -74.595
tors. eta vs tors. theta energy: -164.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1698.887766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.887766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.887766 (E_RNA)
where:
Base-Base interactions energy: -1149.115
where: short stacking energy: -461.698
Base-Backbone interact. energy: -3.457
local terms energy: -546.315856
where:
bonds (distance) C4'-P energy: -98.312
bonds (distance) P-C4' energy: -104.148
flat angles C4'-P-C4' energy: -139.439
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -127.262
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: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1448.392449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.392449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.392449 (E_RNA)
where:
Base-Base interactions energy: -922.991
where: short stacking energy: -422.877
Base-Backbone interact. energy: 0.897
local terms energy: -526.298433
where:
bonds (distance) C4'-P energy: -109.791
bonds (distance) P-C4' energy: -102.135
flat angles C4'-P-C4' energy: -122.602
flat angles P-C4'-P energy: -70.387
tors. eta vs tors. theta energy: -121.383
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: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1237.960653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.960653 (E_RNA)
where:
Base-Base interactions energy: -771.103
where: short stacking energy: -345.367
Base-Backbone interact. energy: 0.514
local terms energy: -467.371591
where:
bonds (distance) C4'-P energy: -115.467
bonds (distance) P-C4' energy: -103.420
flat angles C4'-P-C4' energy: -98.165
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -74.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -691.941273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.941273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.941273 (E_RNA)
where:
Base-Base interactions energy: -305.227
where: short stacking energy: -203.963
Base-Backbone interact. energy: -0.588
local terms energy: -386.125833
where:
bonds (distance) C4'-P energy: -105.305
bonds (distance) P-C4' energy: -102.661
flat angles C4'-P-C4' energy: -94.212
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -525.050822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.050822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.050822 (E_RNA)
where:
Base-Base interactions energy: -215.056
where: short stacking energy: -154.659
Base-Backbone interact. energy: 0.572
local terms energy: -310.567411
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -110.376
flat angles C4'-P-C4' energy: -72.151
flat angles P-C4'-P energy: -68.228
tors. eta vs tors. theta energy: 16.377
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: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -478.116240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.116240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.116240 (E_RNA)
where:
Base-Base interactions energy: -160.072
where: short stacking energy: -125.129
Base-Backbone interact. energy: 0.224
local terms energy: -318.268339
where:
bonds (distance) C4'-P energy: -99.368
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -89.400
flat angles P-C4'-P energy: -49.523
tors. eta vs tors. theta energy: 22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2050.928356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.928356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.928356 (E_RNA)
where:
Base-Base interactions energy: -1410.096
where: short stacking energy: -575.503
Base-Backbone interact. energy: -5.925
local terms energy: -634.907816
where:
bonds (distance) C4'-P energy: -112.794
bonds (distance) P-C4' energy: -111.406
flat angles C4'-P-C4' energy: -132.819
flat angles P-C4'-P energy: -99.882
tors. eta vs tors. theta energy: -178.007
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: 148
Temperature: 0.950000
Total energy: -2009.340847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.340847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.340847 (E_RNA)
where:
Base-Base interactions energy: -1377.215
where: short stacking energy: -593.583
Base-Backbone interact. energy: -4.968
local terms energy: -627.157949
where:
bonds (distance) C4'-P energy: -115.368
bonds (distance) P-C4' energy: -120.734
flat angles C4'-P-C4' energy: -132.494
flat angles P-C4'-P energy: -84.507
tors. eta vs tors. theta energy: -174.055
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: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1877.645161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.645161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.645161 (E_RNA)
where:
Base-Base interactions energy: -1262.769
where: short stacking energy: -512.881
Base-Backbone interact. energy: -4.037
local terms energy: -610.839924
where:
bonds (distance) C4'-P energy: -120.143
bonds (distance) P-C4' energy: -120.233
flat angles C4'-P-C4' energy: -125.068
flat angles P-C4'-P energy: -81.902
tors. eta vs tors. theta energy: -163.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1826.824811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.824811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.824811 (E_RNA)
where:
Base-Base interactions energy: -1257.619
where: short stacking energy: -524.630
Base-Backbone interact. energy: 1.048
local terms energy: -570.254303
where:
bonds (distance) C4'-P energy: -98.120
bonds (distance) P-C4' energy: -119.205
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -79.958
tors. eta vs tors. theta energy: -153.759
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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1640.024912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.024912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.024912 (E_RNA)
where:
Base-Base interactions energy: -1102.362
where: short stacking energy: -438.595
Base-Backbone interact. energy: 5.886
local terms energy: -543.548841
where:
bonds (distance) C4'-P energy: -98.043
bonds (distance) P-C4' energy: -127.241
flat angles C4'-P-C4' energy: -121.283
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -114.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1384.841740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.841740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.841740 (E_RNA)
where:
Base-Base interactions energy: -889.699
where: short stacking energy: -397.581
Base-Backbone interact. energy: -1.471
local terms energy: -493.672117
where:
bonds (distance) C4'-P energy: -101.329
bonds (distance) P-C4' energy: -102.866
flat angles C4'-P-C4' energy: -117.899
flat angles P-C4'-P energy: -68.619
tors. eta vs tors. theta energy: -102.958
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: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1356.541830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.541830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.541830 (E_RNA)
where:
Base-Base interactions energy: -843.548
where: short stacking energy: -378.465
Base-Backbone interact. energy: -1.727
local terms energy: -511.266701
where:
bonds (distance) C4'-P energy: -104.060
bonds (distance) P-C4' energy: -105.558
flat angles C4'-P-C4' energy: -116.002
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -109.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -653.860551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.860551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.860551 (E_RNA)
where:
Base-Base interactions energy: -273.340
where: short stacking energy: -167.244
Base-Backbone interact. energy: -1.034
local terms energy: -379.486800
where:
bonds (distance) C4'-P energy: -100.224
bonds (distance) P-C4' energy: -106.797
flat angles C4'-P-C4' energy: -98.200
flat angles P-C4'-P energy: -68.879
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -501.176502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.176502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.176502 (E_RNA)
where:
Base-Base interactions energy: -168.402
where: short stacking energy: -127.617
Base-Backbone interact. energy: -1.453
local terms energy: -331.320901
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -113.836
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: 31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -452.080710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.080710 (E_RNA)
where:
Base-Base interactions energy: -136.283
where: short stacking energy: -127.349
Base-Backbone interact. energy: 15.222
local terms energy: -331.020386
where:
bonds (distance) C4'-P energy: -96.781
bonds (distance) P-C4' energy: -115.961
flat angles C4'-P-C4' energy: -91.548
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: 23.038
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: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2023.625244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.625244 (E_RNA)
where:
Base-Base interactions energy: -1373.535
where: short stacking energy: -572.281
Base-Backbone interact. energy: -1.910
local terms energy: -648.180327
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -117.329
flat angles C4'-P-C4' energy: -141.811
flat angles P-C4'-P energy: -98.333
tors. eta vs tors. theta energy: -177.622
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: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1950.343470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.343470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.343470 (E_RNA)
where:
Base-Base interactions energy: -1339.090
where: short stacking energy: -590.423
Base-Backbone interact. energy: -3.428
local terms energy: -607.824592
where:
bonds (distance) C4'-P energy: -108.973
bonds (distance) P-C4' energy: -112.002
flat angles C4'-P-C4' energy: -134.803
flat angles P-C4'-P energy: -85.596
tors. eta vs tors. theta energy: -166.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1848.829402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.829402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.829402 (E_RNA)
where:
Base-Base interactions energy: -1296.970
where: short stacking energy: -529.510
Base-Backbone interact. energy: -2.174
local terms energy: -549.686029
where:
bonds (distance) C4'-P energy: -93.504
bonds (distance) P-C4' energy: -119.135
flat angles C4'-P-C4' energy: -115.956
flat angles P-C4'-P energy: -71.825
tors. eta vs tors. theta energy: -149.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1823.497863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.497863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.497863 (E_RNA)
where:
Base-Base interactions energy: -1237.374
where: short stacking energy: -519.810
Base-Backbone interact. energy: -2.565
local terms energy: -583.559177
where:
bonds (distance) C4'-P energy: -100.368
bonds (distance) P-C4' energy: -105.162
flat angles C4'-P-C4' energy: -131.613
flat angles P-C4'-P energy: -88.702
tors. eta vs tors. theta energy: -157.714
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: 149
Temperature: 1.100000
Total energy: -1642.442176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.442176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.442176 (E_RNA)
where:
Base-Base interactions energy: -1121.085
where: short stacking energy: -440.914
Base-Backbone interact. energy: 1.376
local terms energy: -522.733338
where:
bonds (distance) C4'-P energy: -117.413
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -100.760
flat angles P-C4'-P energy: -80.390
tors. eta vs tors. theta energy: -110.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1473.400946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.400946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.400946 (E_RNA)
where:
Base-Base interactions energy: -937.635
where: short stacking energy: -462.448
Base-Backbone interact. energy: -2.665
local terms energy: -533.100620
where:
bonds (distance) C4'-P energy: -100.788
bonds (distance) P-C4' energy: -112.824
flat angles C4'-P-C4' energy: -113.677
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -141.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1371.021713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.021713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.021713 (E_RNA)
where:
Base-Base interactions energy: -865.471
where: short stacking energy: -401.428
Base-Backbone interact. energy: -0.882
local terms energy: -504.669056
where:
bonds (distance) C4'-P energy: -86.908
bonds (distance) P-C4' energy: -104.025
flat angles C4'-P-C4' energy: -115.953
flat angles P-C4'-P energy: -87.179
tors. eta vs tors. theta energy: -110.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -711.302985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.302985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.302985 (E_RNA)
where:
Base-Base interactions energy: -333.275
where: short stacking energy: -219.183
Base-Backbone interact. energy: -1.467
local terms energy: -376.561200
where:
bonds (distance) C4'-P energy: -96.287
bonds (distance) P-C4' energy: -103.613
flat angles C4'-P-C4' energy: -97.302
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -572.205731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.205731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.205731 (E_RNA)
where:
Base-Base interactions energy: -223.124
where: short stacking energy: -176.556
Base-Backbone interact. energy: -1.190
local terms energy: -347.892264
where:
bonds (distance) C4'-P energy: -90.543
bonds (distance) P-C4' energy: -104.071
flat angles C4'-P-C4' energy: -95.598
flat angles P-C4'-P energy: -60.693
tors. eta vs tors. theta energy: 3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -468.926421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.926421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.926421 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -122.941
Base-Backbone interact. energy: -3.273
local terms energy: -304.885762
where:
bonds (distance) C4'-P energy: -106.783
bonds (distance) P-C4' energy: -98.486
flat angles C4'-P-C4' energy: -82.792
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: 21.738
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2024.112560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.112560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.112560 (E_RNA)
where:
Base-Base interactions energy: -1378.206
where: short stacking energy: -574.747
Base-Backbone interact. energy: -2.462
local terms energy: -643.443933
where:
bonds (distance) C4'-P energy: -133.385
bonds (distance) P-C4' energy: -120.826
flat angles C4'-P-C4' energy: -133.946
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -167.956
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: 150
Temperature: 0.950000
Total energy: -2002.092455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.092455 (E_RNA)
where:
Base-Base interactions energy: -1375.466
where: short stacking energy: -582.986
Base-Backbone interact. energy: -2.958
local terms energy: -623.667664
where:
bonds (distance) C4'-P energy: -108.083
bonds (distance) P-C4' energy: -113.719
flat angles C4'-P-C4' energy: -138.341
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -185.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1892.466141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.466141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.466141 (E_RNA)
where:
Base-Base interactions energy: -1282.280
where: short stacking energy: -538.501
Base-Backbone interact. energy: -1.852
local terms energy: -608.333842
where:
bonds (distance) C4'-P energy: -112.416
bonds (distance) P-C4' energy: -116.585
flat angles C4'-P-C4' energy: -129.709
flat angles P-C4'-P energy: -88.251
tors. eta vs tors. theta energy: -161.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1798.536849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.536849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.536849 (E_RNA)
where:
Base-Base interactions energy: -1219.523
where: short stacking energy: -516.990
Base-Backbone interact. energy: 0.025
local terms energy: -579.038114
where:
bonds (distance) C4'-P energy: -107.591
bonds (distance) P-C4' energy: -110.873
flat angles C4'-P-C4' energy: -129.761
flat angles P-C4'-P energy: -85.780
tors. eta vs tors. theta energy: -145.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1658.174702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.174702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.174702 (E_RNA)
where:
Base-Base interactions energy: -1127.960
where: short stacking energy: -470.411
Base-Backbone interact. energy: -1.442
local terms energy: -528.773150
where:
bonds (distance) C4'-P energy: -103.141
bonds (distance) P-C4' energy: -107.127
flat angles C4'-P-C4' energy: -115.086
flat angles P-C4'-P energy: -78.389
tors. eta vs tors. theta energy: -125.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1554.529027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.529027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.529027 (E_RNA)
where:
Base-Base interactions energy: -1011.471
where: short stacking energy: -435.130
Base-Backbone interact. energy: -4.091
local terms energy: -538.967692
where:
bonds (distance) C4'-P energy: -110.339
bonds (distance) P-C4' energy: -122.382
flat angles C4'-P-C4' energy: -125.296
flat angles P-C4'-P energy: -75.792
tors. eta vs tors. theta energy: -105.159
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: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1350.459440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.459440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.459440 (E_RNA)
where:
Base-Base interactions energy: -867.283
where: short stacking energy: -380.313
Base-Backbone interact. energy: 0.776
local terms energy: -483.951823
where:
bonds (distance) C4'-P energy: -99.973
bonds (distance) P-C4' energy: -110.530
flat angles C4'-P-C4' energy: -109.135
flat angles P-C4'-P energy: -64.679
tors. eta vs tors. theta energy: -99.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -655.403833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.403833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.403833 (E_RNA)
where:
Base-Base interactions energy: -319.918
where: short stacking energy: -190.633
Base-Backbone interact. energy: -1.333
local terms energy: -334.153154
where:
bonds (distance) C4'-P energy: -97.177
bonds (distance) P-C4' energy: -114.690
flat angles C4'-P-C4' energy: -77.761
flat angles P-C4'-P energy: -46.159
tors. eta vs tors. theta energy: 1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -535.387171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.387171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.387171 (E_RNA)
where:
Base-Base interactions energy: -189.924
where: short stacking energy: -126.790
Base-Backbone interact. energy: -2.246
local terms energy: -343.217000
where:
bonds (distance) C4'-P energy: -104.369
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -90.833
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: 13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -468.281548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.281548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.281548 (E_RNA)
where:
Base-Base interactions energy: -156.200
where: short stacking energy: -123.381
Base-Backbone interact. energy: -2.219
local terms energy: -309.862479
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -96.963
flat angles C4'-P-C4' energy: -106.153
flat angles P-C4'-P energy: -49.986
tors. eta vs tors. theta energy: 33.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2032.410405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.410405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.410405 (E_RNA)
where:
Base-Base interactions energy: -1384.792
where: short stacking energy: -581.098
Base-Backbone interact. energy: 0.461
local terms energy: -648.079675
where:
bonds (distance) C4'-P energy: -118.130
bonds (distance) P-C4' energy: -121.235
flat angles C4'-P-C4' energy: -142.616
flat angles P-C4'-P energy: -91.017
tors. eta vs tors. theta energy: -175.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2005.644932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.644932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.644932 (E_RNA)
where:
Base-Base interactions energy: -1354.772
where: short stacking energy: -560.912
Base-Backbone interact. energy: -2.550
local terms energy: -648.323143
where:
bonds (distance) C4'-P energy: -125.554
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -134.439
flat angles P-C4'-P energy: -90.014
tors. eta vs tors. theta energy: -177.266
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: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1925.350982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.350982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.350982 (E_RNA)
where:
Base-Base interactions energy: -1323.042
where: short stacking energy: -560.736
Base-Backbone interact. energy: 2.276
local terms energy: -604.585596
where:
bonds (distance) C4'-P energy: -117.274
bonds (distance) P-C4' energy: -102.672
flat angles C4'-P-C4' energy: -130.886
flat angles P-C4'-P energy: -85.982
tors. eta vs tors. theta energy: -167.771
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: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1810.930702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.930702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.930702 (E_RNA)
where:
Base-Base interactions energy: -1243.753
where: short stacking energy: -504.641
Base-Backbone interact. energy: -0.983
local terms energy: -566.194222
where:
bonds (distance) C4'-P energy: -111.411
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -108.588
flat angles P-C4'-P energy: -75.173
tors. eta vs tors. theta energy: -155.560
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: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1611.850124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.850124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.850124 (E_RNA)
where:
Base-Base interactions energy: -1068.849
where: short stacking energy: -449.202
Base-Backbone interact. energy: -0.223
local terms energy: -542.778832
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -130.727
flat angles P-C4'-P energy: -73.936
tors. eta vs tors. theta energy: -128.159
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: 151
Temperature: 1.150000
Total energy: -1507.732124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.732124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.732124 (E_RNA)
where:
Base-Base interactions energy: -982.418
where: short stacking energy: -409.868
Base-Backbone interact. energy: -1.375
local terms energy: -523.939269
where:
bonds (distance) C4'-P energy: -120.240
bonds (distance) P-C4' energy: -101.380
flat angles C4'-P-C4' energy: -125.609
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -112.964
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: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1351.988412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.988412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.988412 (E_RNA)
where:
Base-Base interactions energy: -883.378
where: short stacking energy: -422.328
Base-Backbone interact. energy: 0.146
local terms energy: -468.756909
where:
bonds (distance) C4'-P energy: -90.225
bonds (distance) P-C4' energy: -99.094
flat angles C4'-P-C4' energy: -110.139
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -117.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -689.216819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.216819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.216819 (E_RNA)
where:
Base-Base interactions energy: -364.367
where: short stacking energy: -194.757
Base-Backbone interact. energy: 0.183
local terms energy: -325.032900
where:
bonds (distance) C4'-P energy: -97.539
bonds (distance) P-C4' energy: -93.768
flat angles C4'-P-C4' energy: -89.235
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: 6.748
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: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -538.418323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.418323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.418323 (E_RNA)
where:
Base-Base interactions energy: -190.661
where: short stacking energy: -153.606
Base-Backbone interact. energy: -0.526
local terms energy: -347.231326
where:
bonds (distance) C4'-P energy: -94.715
bonds (distance) P-C4' energy: -124.673
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: 28.818
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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -495.331574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.331574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.331574 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -149.328
Base-Backbone interact. energy: 3.649
local terms energy: -303.784294
where:
bonds (distance) C4'-P energy: -96.085
bonds (distance) P-C4' energy: -95.688
flat angles C4'-P-C4' energy: -90.021
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: 13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2002.580832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.580832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.580832 (E_RNA)
where:
Base-Base interactions energy: -1360.817
where: short stacking energy: -568.333
Base-Backbone interact. energy: -2.030
local terms energy: -639.734209
where:
bonds (distance) C4'-P energy: -121.313
bonds (distance) P-C4' energy: -114.782
flat angles C4'-P-C4' energy: -135.022
flat angles P-C4'-P energy: -94.169
tors. eta vs tors. theta energy: -174.449
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: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2000.548817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.548817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.548817 (E_RNA)
where:
Base-Base interactions energy: -1350.616
where: short stacking energy: -580.588
Base-Backbone interact. energy: -2.862
local terms energy: -647.070688
where:
bonds (distance) C4'-P energy: -119.081
bonds (distance) P-C4' energy: -123.213
flat angles C4'-P-C4' energy: -139.491
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -179.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1882.978908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.978908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.978908 (E_RNA)
where:
Base-Base interactions energy: -1273.005
where: short stacking energy: -545.733
Base-Backbone interact. energy: -1.564
local terms energy: -608.409374
where:
bonds (distance) C4'-P energy: -104.356
bonds (distance) P-C4' energy: -125.620
flat angles C4'-P-C4' energy: -133.105
flat angles P-C4'-P energy: -80.897
tors. eta vs tors. theta energy: -164.432
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: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1762.590833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.590833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.590833 (E_RNA)
where:
Base-Base interactions energy: -1191.624
where: short stacking energy: -496.061
Base-Backbone interact. energy: -0.095
local terms energy: -570.871731
where:
bonds (distance) C4'-P energy: -123.068
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -127.575
flat angles P-C4'-P energy: -82.918
tors. eta vs tors. theta energy: -138.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1707.624599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.624599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.624599 (E_RNA)
where:
Base-Base interactions energy: -1132.429
where: short stacking energy: -499.925
Base-Backbone interact. energy: -1.204
local terms energy: -573.991397
where:
bonds (distance) C4'-P energy: -114.039
bonds (distance) P-C4' energy: -102.977
flat angles C4'-P-C4' energy: -121.781
flat angles P-C4'-P energy: -85.731
tors. eta vs tors. theta energy: -149.464
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: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1552.094972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.094972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.094972 (E_RNA)
where:
Base-Base interactions energy: -996.553
where: short stacking energy: -439.864
Base-Backbone interact. energy: -1.310
local terms energy: -554.232329
where:
bonds (distance) C4'-P energy: -103.361
bonds (distance) P-C4' energy: -118.956
flat angles C4'-P-C4' energy: -131.165
flat angles P-C4'-P energy: -81.200
tors. eta vs tors. theta energy: -119.551
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: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1373.374570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.374570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.374570 (E_RNA)
where:
Base-Base interactions energy: -863.967
where: short stacking energy: -376.361
Base-Backbone interact. energy: 3.400
local terms energy: -512.807360
where:
bonds (distance) C4'-P energy: -109.525
bonds (distance) P-C4' energy: -115.399
flat angles C4'-P-C4' energy: -123.001
flat angles P-C4'-P energy: -75.864
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: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -673.273765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.273765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.273765 (E_RNA)
where:
Base-Base interactions energy: -302.559
where: short stacking energy: -183.904
Base-Backbone interact. energy: -3.664
local terms energy: -367.050981
where:
bonds (distance) C4'-P energy: -96.244
bonds (distance) P-C4' energy: -119.106
flat angles C4'-P-C4' energy: -98.257
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: 5.991
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: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -538.187517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.187517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.187517 (E_RNA)
where:
Base-Base interactions energy: -210.883
where: short stacking energy: -168.504
Base-Backbone interact. energy: 1.296
local terms energy: -328.600324
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -94.119
flat angles C4'-P-C4' energy: -87.182
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -479.800143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.800143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.800143 (E_RNA)
where:
Base-Base interactions energy: -188.990
where: short stacking energy: -147.373
Base-Backbone interact. energy: -0.744
local terms energy: -290.066450
where:
bonds (distance) C4'-P energy: -91.353
bonds (distance) P-C4' energy: -91.243
flat angles C4'-P-C4' energy: -79.725
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: 18.905
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: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2018.887497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.887497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.887497 (E_RNA)
where:
Base-Base interactions energy: -1388.370
where: short stacking energy: -578.591
Base-Backbone interact. energy: -0.595
local terms energy: -629.921700
where:
bonds (distance) C4'-P energy: -110.603
bonds (distance) P-C4' energy: -112.777
flat angles C4'-P-C4' energy: -134.020
flat angles P-C4'-P energy: -93.987
tors. eta vs tors. theta energy: -178.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2003.590950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.590950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.590950 (E_RNA)
where:
Base-Base interactions energy: -1370.192
where: short stacking energy: -604.308
Base-Backbone interact. energy: -3.449
local terms energy: -629.950069
where:
bonds (distance) C4'-P energy: -113.344
bonds (distance) P-C4' energy: -114.039
flat angles C4'-P-C4' energy: -132.381
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -187.771
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1910.654504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.654504 (E_RNA)
where:
Base-Base interactions energy: -1274.230
where: short stacking energy: -537.332
Base-Backbone interact. energy: -1.580
local terms energy: -634.843877
where:
bonds (distance) C4'-P energy: -112.577
bonds (distance) P-C4' energy: -128.356
flat angles C4'-P-C4' energy: -137.593
flat angles P-C4'-P energy: -91.998
tors. eta vs tors. theta energy: -164.319
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: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1782.906619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.906619 (E_RNA)
where:
Base-Base interactions energy: -1202.791
where: short stacking energy: -494.898
Base-Backbone interact. energy: -2.939
local terms energy: -577.176304
where:
bonds (distance) C4'-P energy: -100.007
bonds (distance) P-C4' energy: -117.819
flat angles C4'-P-C4' energy: -131.515
flat angles P-C4'-P energy: -88.219
tors. eta vs tors. theta energy: -139.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1670.540932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.540932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.540932 (E_RNA)
where:
Base-Base interactions energy: -1150.005
where: short stacking energy: -464.513
Base-Backbone interact. energy: -1.300
local terms energy: -519.235849
where:
bonds (distance) C4'-P energy: -107.476
bonds (distance) P-C4' energy: -94.975
flat angles C4'-P-C4' energy: -107.374
flat angles P-C4'-P energy: -85.151
tors. eta vs tors. theta energy: -124.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1580.043104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.043104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.043104 (E_RNA)
where:
Base-Base interactions energy: -1036.352
where: short stacking energy: -474.165
Base-Backbone interact. energy: -2.027
local terms energy: -541.664463
where:
bonds (distance) C4'-P energy: -100.232
bonds (distance) P-C4' energy: -107.439
flat angles C4'-P-C4' energy: -116.902
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -142.267
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: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1332.548379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.548379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.548379 (E_RNA)
where:
Base-Base interactions energy: -846.516
where: short stacking energy: -409.302
Base-Backbone interact. energy: 2.077
local terms energy: -488.108696
where:
bonds (distance) C4'-P energy: -102.487
bonds (distance) P-C4' energy: -108.381
flat angles C4'-P-C4' energy: -115.249
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -103.909
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: 153
Temperature: 1.250000
Total energy: -590.521336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.521336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.521336 (E_RNA)
where:
Base-Base interactions energy: -250.455
where: short stacking energy: -192.255
Base-Backbone interact. energy: 2.900
local terms energy: -342.966022
where:
bonds (distance) C4'-P energy: -96.355
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -88.562
flat angles P-C4'-P energy: -52.704
tors. eta vs tors. theta energy: 2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -557.921433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.921433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.921433 (E_RNA)
where:
Base-Base interactions energy: -261.704
where: short stacking energy: -143.330
Base-Backbone interact. energy: 2.201
local terms energy: -298.418567
where:
bonds (distance) C4'-P energy: -96.727
bonds (distance) P-C4' energy: -97.774
flat angles C4'-P-C4' energy: -67.530
flat angles P-C4'-P energy: -64.727
tors. eta vs tors. theta energy: 28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -467.879426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.879426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.879426 (E_RNA)
where:
Base-Base interactions energy: -180.973
where: short stacking energy: -118.791
Base-Backbone interact. energy: -1.490
local terms energy: -285.415915
where:
bonds (distance) C4'-P energy: -105.160
bonds (distance) P-C4' energy: -99.004
flat angles C4'-P-C4' energy: -55.057
flat angles P-C4'-P energy: -50.935
tors. eta vs tors. theta energy: 24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2035.687332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.687332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.687332 (E_RNA)
where:
Base-Base interactions energy: -1373.964
where: short stacking energy: -570.815
Base-Backbone interact. energy: -2.250
local terms energy: -659.472684
where:
bonds (distance) C4'-P energy: -124.297
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -144.867
flat angles P-C4'-P energy: -94.487
tors. eta vs tors. theta energy: -174.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2003.477317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.477317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.477317 (E_RNA)
where:
Base-Base interactions energy: -1382.897
where: short stacking energy: -567.497
Base-Backbone interact. energy: -4.087
local terms energy: -616.493128
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -133.391
flat angles P-C4'-P energy: -100.018
tors. eta vs tors. theta energy: -168.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1887.420132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.420132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.420132 (E_RNA)
where:
Base-Base interactions energy: -1295.533
where: short stacking energy: -536.400
Base-Backbone interact. energy: 0.454
local terms energy: -592.341457
where:
bonds (distance) C4'-P energy: -108.269
bonds (distance) P-C4' energy: -122.426
flat angles C4'-P-C4' energy: -114.804
flat angles P-C4'-P energy: -80.364
tors. eta vs tors. theta energy: -166.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1776.297662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.297662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.297662 (E_RNA)
where:
Base-Base interactions energy: -1208.501
where: short stacking energy: -489.699
Base-Backbone interact. energy: 1.687
local terms energy: -569.484238
where:
bonds (distance) C4'-P energy: -97.534
bonds (distance) P-C4' energy: -106.446
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -76.603
tors. eta vs tors. theta energy: -149.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1619.609833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.609833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.609833 (E_RNA)
where:
Base-Base interactions energy: -1063.293
where: short stacking energy: -467.424
Base-Backbone interact. energy: 1.858
local terms energy: -558.175586
where:
bonds (distance) C4'-P energy: -105.269
bonds (distance) P-C4' energy: -107.037
flat angles C4'-P-C4' energy: -122.984
flat angles P-C4'-P energy: -89.608
tors. eta vs tors. theta energy: -133.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1607.899727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.899727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.899727 (E_RNA)
where:
Base-Base interactions energy: -1065.750
where: short stacking energy: -458.667
Base-Backbone interact. energy: -1.683
local terms energy: -540.467552
where:
bonds (distance) C4'-P energy: -104.390
bonds (distance) P-C4' energy: -106.176
flat angles C4'-P-C4' energy: -126.524
flat angles P-C4'-P energy: -82.501
tors. eta vs tors. theta energy: -120.876
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: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1302.803635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.803635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.803635 (E_RNA)
where:
Base-Base interactions energy: -814.182
where: short stacking energy: -364.839
Base-Backbone interact. energy: -1.830
local terms energy: -486.791624
where:
bonds (distance) C4'-P energy: -92.171
bonds (distance) P-C4' energy: -121.611
flat angles C4'-P-C4' energy: -109.059
flat angles P-C4'-P energy: -60.050
tors. eta vs tors. theta energy: -103.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -574.538984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.538984 (E_RNA)
where:
Base-Base interactions energy: -226.569
where: short stacking energy: -165.618
Base-Backbone interact. energy: -0.184
local terms energy: -347.786104
where:
bonds (distance) C4'-P energy: -99.010
bonds (distance) P-C4' energy: -121.589
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -51.270
tors. eta vs tors. theta energy: -9.557
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: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -557.591059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.591059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.591059 (E_RNA)
where:
Base-Base interactions energy: -211.557
where: short stacking energy: -134.787
Base-Backbone interact. energy: -0.590
local terms energy: -345.444028
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -92.542
flat angles C4'-P-C4' energy: -111.665
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: 5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -520.771735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.771735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.771735 (E_RNA)
where:
Base-Base interactions energy: -220.842
where: short stacking energy: -135.743
Base-Backbone interact. energy: 6.914
local terms energy: -306.844065
where:
bonds (distance) C4'-P energy: -97.337
bonds (distance) P-C4' energy: -103.829
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: 16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2050.280547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.280547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.280547 (E_RNA)
where:
Base-Base interactions energy: -1380.230
where: short stacking energy: -592.253
Base-Backbone interact. energy: -3.260
local terms energy: -666.790359
where:
bonds (distance) C4'-P energy: -113.131
bonds (distance) P-C4' energy: -125.159
flat angles C4'-P-C4' energy: -140.582
flat angles P-C4'-P energy: -97.390
tors. eta vs tors. theta energy: -190.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1976.849810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.849810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.849810 (E_RNA)
where:
Base-Base interactions energy: -1311.050
where: short stacking energy: -560.547
Base-Backbone interact. energy: -2.535
local terms energy: -663.264192
where:
bonds (distance) C4'-P energy: -119.441
bonds (distance) P-C4' energy: -124.392
flat angles C4'-P-C4' energy: -139.802
flat angles P-C4'-P energy: -97.075
tors. eta vs tors. theta energy: -182.554
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: 155
Temperature: 1.000000
Total energy: -1930.153462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.153462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.153462 (E_RNA)
where:
Base-Base interactions energy: -1313.386
where: short stacking energy: -554.062
Base-Backbone interact. energy: 2.636
local terms energy: -619.403278
where:
bonds (distance) C4'-P energy: -116.357
bonds (distance) P-C4' energy: -125.610
flat angles C4'-P-C4' energy: -131.130
flat angles P-C4'-P energy: -89.816
tors. eta vs tors. theta energy: -156.490
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: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1749.452676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.452676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.452676 (E_RNA)
where:
Base-Base interactions energy: -1169.099
where: short stacking energy: -498.979
Base-Backbone interact. energy: 2.834
local terms energy: -583.187539
where:
bonds (distance) C4'-P energy: -111.682
bonds (distance) P-C4' energy: -114.949
flat angles C4'-P-C4' energy: -131.376
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -146.896
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: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1591.769209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.769209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.769209 (E_RNA)
where:
Base-Base interactions energy: -1046.760
where: short stacking energy: -476.789
Base-Backbone interact. energy: 2.317
local terms energy: -547.326285
where:
bonds (distance) C4'-P energy: -117.306
bonds (distance) P-C4' energy: -112.428
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -72.925
tors. eta vs tors. theta energy: -127.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1603.401003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.401003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.401003 (E_RNA)
where:
Base-Base interactions energy: -1071.015
where: short stacking energy: -443.604
Base-Backbone interact. energy: 1.074
local terms energy: -533.459471
where:
bonds (distance) C4'-P energy: -111.680
bonds (distance) P-C4' energy: -99.597
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -58.118
tors. eta vs tors. theta energy: -133.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1334.648725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.648725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.648725 (E_RNA)
where:
Base-Base interactions energy: -829.672
where: short stacking energy: -368.794
Base-Backbone interact. energy: -1.310
local terms energy: -503.666509
where:
bonds (distance) C4'-P energy: -111.460
bonds (distance) P-C4' energy: -117.747
flat angles C4'-P-C4' energy: -120.702
flat angles P-C4'-P energy: -67.331
tors. eta vs tors. theta energy: -86.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -537.317186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.317186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.317186 (E_RNA)
where:
Base-Base interactions energy: -194.768
where: short stacking energy: -157.305
Base-Backbone interact. energy: 0.612
local terms energy: -343.161116
where:
bonds (distance) C4'-P energy: -91.233
bonds (distance) P-C4' energy: -116.090
flat angles C4'-P-C4' energy: -83.165
flat angles P-C4'-P energy: -62.807
tors. eta vs tors. theta energy: 10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -590.186661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.186661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.186661 (E_RNA)
where:
Base-Base interactions energy: -270.187
where: short stacking energy: -158.877
Base-Backbone interact. energy: -0.276
local terms energy: -319.723777
where:
bonds (distance) C4'-P energy: -105.700
bonds (distance) P-C4' energy: -89.706
flat angles C4'-P-C4' energy: -87.315
flat angles P-C4'-P energy: -60.356
tors. eta vs tors. theta energy: 23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -575.714542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.714542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.714542 (E_RNA)
where:
Base-Base interactions energy: -255.482
where: short stacking energy: -159.143
Base-Backbone interact. energy: 2.441
local terms energy: -322.673083
where:
bonds (distance) C4'-P energy: -78.177
bonds (distance) P-C4' energy: -97.761
flat angles C4'-P-C4' energy: -101.783
flat angles P-C4'-P energy: -48.719
tors. eta vs tors. theta energy: 3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2031.984728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.984728 (E_RNA)
where:
Base-Base interactions energy: -1381.833
where: short stacking energy: -574.016
Base-Backbone interact. energy: -1.388
local terms energy: -648.763271
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -120.910
flat angles C4'-P-C4' energy: -143.254
flat angles P-C4'-P energy: -97.037
tors. eta vs tors. theta energy: -173.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1954.185230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.185230 (E_RNA)
where:
Base-Base interactions energy: -1325.463
where: short stacking energy: -560.263
Base-Backbone interact. energy: -2.746
local terms energy: -625.976369
where:
bonds (distance) C4'-P energy: -120.510
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -129.922
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -172.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1909.328973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.328973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.328973 (E_RNA)
where:
Base-Base interactions energy: -1334.134
where: short stacking energy: -540.828
Base-Backbone interact. energy: 1.121
local terms energy: -576.315801
where:
bonds (distance) C4'-P energy: -114.500
bonds (distance) P-C4' energy: -105.982
flat angles C4'-P-C4' energy: -130.137
flat angles P-C4'-P energy: -73.475
tors. eta vs tors. theta energy: -152.223
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: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1788.313338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.313338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.313338 (E_RNA)
where:
Base-Base interactions energy: -1198.518
where: short stacking energy: -502.706
Base-Backbone interact. energy: 0.573
local terms energy: -590.368541
where:
bonds (distance) C4'-P energy: -104.442
bonds (distance) P-C4' energy: -109.600
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -90.908
tors. eta vs tors. theta energy: -159.864
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: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1645.982928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.982928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.982928 (E_RNA)
where:
Base-Base interactions energy: -1121.632
where: short stacking energy: -465.000
Base-Backbone interact. energy: -1.110
local terms energy: -523.240952
where:
bonds (distance) C4'-P energy: -87.275
bonds (distance) P-C4' energy: -102.979
flat angles C4'-P-C4' energy: -131.445
flat angles P-C4'-P energy: -70.598
tors. eta vs tors. theta energy: -130.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1519.298205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.298205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.298205 (E_RNA)
where:
Base-Base interactions energy: -976.791
where: short stacking energy: -441.001
Base-Backbone interact. energy: 0.298
local terms energy: -542.804542
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -88.959
flat angles C4'-P-C4' energy: -119.468
flat angles P-C4'-P energy: -83.975
tors. eta vs tors. theta energy: -138.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1281.060437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.060437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.060437 (E_RNA)
where:
Base-Base interactions energy: -816.425
where: short stacking energy: -374.696
Base-Backbone interact. energy: -4.565
local terms energy: -460.070234
where:
bonds (distance) C4'-P energy: -89.679
bonds (distance) P-C4' energy: -105.391
flat angles C4'-P-C4' energy: -105.947
flat angles P-C4'-P energy: -67.844
tors. eta vs tors. theta energy: -91.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -548.159442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.159442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.159442 (E_RNA)
where:
Base-Base interactions energy: -221.807
where: short stacking energy: -166.898
Base-Backbone interact. energy: -2.516
local terms energy: -323.836670
where:
bonds (distance) C4'-P energy: -85.607
bonds (distance) P-C4' energy: -109.436
flat angles C4'-P-C4' energy: -84.590
flat angles P-C4'-P energy: -52.266
tors. eta vs tors. theta energy: 8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -583.324641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.324641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.324641 (E_RNA)
where:
Base-Base interactions energy: -258.769
where: short stacking energy: -152.272
Base-Backbone interact. energy: -1.157
local terms energy: -323.398893
where:
bonds (distance) C4'-P energy: -99.929
bonds (distance) P-C4' energy: -101.195
flat angles C4'-P-C4' energy: -87.950
flat angles P-C4'-P energy: -50.298
tors. eta vs tors. theta energy: 15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -579.417179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.417179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.417179 (E_RNA)
where:
Base-Base interactions energy: -247.340
where: short stacking energy: -142.687
Base-Backbone interact. energy: -0.386
local terms energy: -331.691122
where:
bonds (distance) C4'-P energy: -108.457
bonds (distance) P-C4' energy: -105.946
flat angles C4'-P-C4' energy: -77.184
flat angles P-C4'-P energy: -57.886
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: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1987.750416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.750416 (E_RNA)
where:
Base-Base interactions energy: -1336.175
where: short stacking energy: -598.186
Base-Backbone interact. energy: -1.979
local terms energy: -649.597002
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -127.284
flat angles C4'-P-C4' energy: -138.609
flat angles P-C4'-P energy: -84.859
tors. eta vs tors. theta energy: -175.787
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: 157
Temperature: 0.950000
Total energy: -1959.415239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.415239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.415239 (E_RNA)
where:
Base-Base interactions energy: -1318.673
where: short stacking energy: -553.562
Base-Backbone interact. energy: -2.536
local terms energy: -638.206353
where:
bonds (distance) C4'-P energy: -116.085
bonds (distance) P-C4' energy: -138.030
flat angles C4'-P-C4' energy: -130.468
flat angles P-C4'-P energy: -86.375
tors. eta vs tors. theta energy: -167.248
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: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1934.598120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.598120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.598120 (E_RNA)
where:
Base-Base interactions energy: -1317.787
where: short stacking energy: -556.825
Base-Backbone interact. energy: -2.041
local terms energy: -614.769823
where:
bonds (distance) C4'-P energy: -128.268
bonds (distance) P-C4' energy: -115.008
flat angles C4'-P-C4' energy: -126.699
flat angles P-C4'-P energy: -78.190
tors. eta vs tors. theta energy: -166.605
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1761.957984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.957984 (E_RNA)
where:
Base-Base interactions energy: -1172.868
where: short stacking energy: -498.715
Base-Backbone interact. energy: -1.775
local terms energy: -587.314047
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -116.005
flat angles C4'-P-C4' energy: -129.271
flat angles P-C4'-P energy: -86.475
tors. eta vs tors. theta energy: -143.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1700.231849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.231849 (E_RNA)
where:
Base-Base interactions energy: -1141.351
where: short stacking energy: -460.271
Base-Backbone interact. energy: 0.810
local terms energy: -559.690884
where:
bonds (distance) C4'-P energy: -115.527
bonds (distance) P-C4' energy: -117.557
flat angles C4'-P-C4' energy: -120.301
flat angles P-C4'-P energy: -68.194
tors. eta vs tors. theta energy: -138.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1520.068140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.068140 (E_RNA)
where:
Base-Base interactions energy: -997.484
where: short stacking energy: -444.924
Base-Backbone interact. energy: -4.948
local terms energy: -517.636024
where:
bonds (distance) C4'-P energy: -107.719
bonds (distance) P-C4' energy: -110.708
flat angles C4'-P-C4' energy: -120.345
flat angles P-C4'-P energy: -64.585
tors. eta vs tors. theta energy: -114.280
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: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1300.122810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.122810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.122810 (E_RNA)
where:
Base-Base interactions energy: -811.447
where: short stacking energy: -362.230
Base-Backbone interact. energy: -0.317
local terms energy: -488.358882
where:
bonds (distance) C4'-P energy: -102.424
bonds (distance) P-C4' energy: -109.733
flat angles C4'-P-C4' energy: -123.415
flat angles P-C4'-P energy: -70.893
tors. eta vs tors. theta energy: -81.894
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: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -603.608266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.608266 (E_RNA)
where:
Base-Base interactions energy: -266.243
where: short stacking energy: -188.923
Base-Backbone interact. energy: 2.702
local terms energy: -340.067061
where:
bonds (distance) C4'-P energy: -96.508
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -71.167
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -607.576485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.576485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.576485 (E_RNA)
where:
Base-Base interactions energy: -264.565
where: short stacking energy: -169.063
Base-Backbone interact. energy: -2.350
local terms energy: -340.661682
where:
bonds (distance) C4'-P energy: -97.387
bonds (distance) P-C4' energy: -105.022
flat angles C4'-P-C4' energy: -102.139
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: 19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -623.599803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.599803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.599803 (E_RNA)
where:
Base-Base interactions energy: -334.411
where: short stacking energy: -179.732
Base-Backbone interact. energy: -0.391
local terms energy: -288.797710
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -105.249
flat angles C4'-P-C4' energy: -80.860
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: 20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2027.376599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.376599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.376599 (E_RNA)
where:
Base-Base interactions energy: -1367.730
where: short stacking energy: -568.394
Base-Backbone interact. energy: -3.060
local terms energy: -656.586999
where:
bonds (distance) C4'-P energy: -116.089
bonds (distance) P-C4' energy: -132.527
flat angles C4'-P-C4' energy: -142.191
flat angles P-C4'-P energy: -89.445
tors. eta vs tors. theta energy: -176.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1965.647480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.647480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.647480 (E_RNA)
where:
Base-Base interactions energy: -1325.069
where: short stacking energy: -551.421
Base-Backbone interact. energy: 0.935
local terms energy: -641.513396
where:
bonds (distance) C4'-P energy: -115.449
bonds (distance) P-C4' energy: -117.321
flat angles C4'-P-C4' energy: -137.598
flat angles P-C4'-P energy: -94.983
tors. eta vs tors. theta energy: -176.162
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1946.489143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.489143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.489143 (E_RNA)
where:
Base-Base interactions energy: -1329.448
where: short stacking energy: -561.940
Base-Backbone interact. energy: -2.610
local terms energy: -614.430746
where:
bonds (distance) C4'-P energy: -121.561
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -125.362
flat angles P-C4'-P energy: -89.628
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1789.630034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.630034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.630034 (E_RNA)
where:
Base-Base interactions energy: -1193.047
where: short stacking energy: -517.491
Base-Backbone interact. energy: -4.896
local terms energy: -591.687835
where:
bonds (distance) C4'-P energy: -104.590
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -127.598
flat angles P-C4'-P energy: -81.898
tors. eta vs tors. theta energy: -159.325
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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1717.022916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.022916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.022916 (E_RNA)
where:
Base-Base interactions energy: -1138.163
where: short stacking energy: -507.292
Base-Backbone interact. energy: -1.292
local terms energy: -577.568468
where:
bonds (distance) C4'-P energy: -98.532
bonds (distance) P-C4' energy: -111.134
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -83.988
tors. eta vs tors. theta energy: -156.452
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: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1601.970134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.970134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.970134 (E_RNA)
where:
Base-Base interactions energy: -1072.665
where: short stacking energy: -467.235
Base-Backbone interact. energy: -1.901
local terms energy: -527.404149
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -107.986
flat angles C4'-P-C4' energy: -131.187
flat angles P-C4'-P energy: -68.047
tors. eta vs tors. theta energy: -122.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1291.849335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.849335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.849335 (E_RNA)
where:
Base-Base interactions energy: -802.842
where: short stacking energy: -370.004
Base-Backbone interact. energy: -0.108
local terms energy: -488.899007
where:
bonds (distance) C4'-P energy: -99.035
bonds (distance) P-C4' energy: -113.492
flat angles C4'-P-C4' energy: -117.421
flat angles P-C4'-P energy: -70.279
tors. eta vs tors. theta energy: -88.672
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: 158
Temperature: 1.250000
Total energy: -630.656256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.656256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.656256 (E_RNA)
where:
Base-Base interactions energy: -277.198
where: short stacking energy: -185.447
Base-Backbone interact. energy: -1.552
local terms energy: -351.906171
where:
bonds (distance) C4'-P energy: -83.800
bonds (distance) P-C4' energy: -107.378
flat angles C4'-P-C4' energy: -103.563
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -620.793224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.793224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.793224 (E_RNA)
where:
Base-Base interactions energy: -294.899
where: short stacking energy: -171.169
Base-Backbone interact. energy: 0.586
local terms energy: -326.480018
where:
bonds (distance) C4'-P energy: -82.689
bonds (distance) P-C4' energy: -94.604
flat angles C4'-P-C4' energy: -97.374
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: 7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -608.382359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.382359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.382359 (E_RNA)
where:
Base-Base interactions energy: -295.178
where: short stacking energy: -160.877
Base-Backbone interact. energy: -1.518
local terms energy: -311.686099
where:
bonds (distance) C4'-P energy: -90.180
bonds (distance) P-C4' energy: -102.951
flat angles C4'-P-C4' energy: -89.488
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: 14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2029.499480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.499480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.499480 (E_RNA)
where:
Base-Base interactions energy: -1370.898
where: short stacking energy: -581.631
Base-Backbone interact. energy: -2.113
local terms energy: -656.488171
where:
bonds (distance) C4'-P energy: -113.742
bonds (distance) P-C4' energy: -122.903
flat angles C4'-P-C4' energy: -138.005
flat angles P-C4'-P energy: -103.058
tors. eta vs tors. theta energy: -178.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1959.612786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.612786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.612786 (E_RNA)
where:
Base-Base interactions energy: -1295.047
where: short stacking energy: -550.500
Base-Backbone interact. energy: -2.138
local terms energy: -662.427205
where:
bonds (distance) C4'-P energy: -126.164
bonds (distance) P-C4' energy: -135.206
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -178.534
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: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1929.913345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.913345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.913345 (E_RNA)
where:
Base-Base interactions energy: -1342.110
where: short stacking energy: -528.084
Base-Backbone interact. energy: 3.025
local terms energy: -590.828374
where:
bonds (distance) C4'-P energy: -115.903
bonds (distance) P-C4' energy: -110.299
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -84.814
tors. eta vs tors. theta energy: -148.189
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1747.317557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.317557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.317557 (E_RNA)
where:
Base-Base interactions energy: -1172.100
where: short stacking energy: -505.125
Base-Backbone interact. energy: 2.232
local terms energy: -577.449342
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -107.129
flat angles C4'-P-C4' energy: -126.225
flat angles P-C4'-P energy: -79.876
tors. eta vs tors. theta energy: -155.785
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: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1676.387468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.387468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.387468 (E_RNA)
where:
Base-Base interactions energy: -1123.322
where: short stacking energy: -475.894
Base-Backbone interact. energy: 0.271
local terms energy: -553.336281
where:
bonds (distance) C4'-P energy: -107.904
bonds (distance) P-C4' energy: -105.724
flat angles C4'-P-C4' energy: -117.804
flat angles P-C4'-P energy: -90.536
tors. eta vs tors. theta energy: -131.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1525.671088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.671088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.671088 (E_RNA)
where:
Base-Base interactions energy: -1009.492
where: short stacking energy: -430.034
Base-Backbone interact. energy: -0.966
local terms energy: -515.213314
where:
bonds (distance) C4'-P energy: -96.431
bonds (distance) P-C4' energy: -112.426
flat angles C4'-P-C4' energy: -103.212
flat angles P-C4'-P energy: -81.737
tors. eta vs tors. theta energy: -121.407
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: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1332.779503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.779503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.779503 (E_RNA)
where:
Base-Base interactions energy: -836.984
where: short stacking energy: -382.363
Base-Backbone interact. energy: -0.664
local terms energy: -495.131639
where:
bonds (distance) C4'-P energy: -86.406
bonds (distance) P-C4' energy: -110.739
flat angles C4'-P-C4' energy: -129.343
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -103.407
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: 159
Temperature: 1.250000
Total energy: -571.815990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.815990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.815990 (E_RNA)
where:
Base-Base interactions energy: -213.343
where: short stacking energy: -153.581
Base-Backbone interact. energy: -2.168
local terms energy: -356.305363
where:
bonds (distance) C4'-P energy: -114.645
bonds (distance) P-C4' energy: -125.223
flat angles C4'-P-C4' energy: -98.189
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: 28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -631.412297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.412297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.412297 (E_RNA)
where:
Base-Base interactions energy: -321.703
where: short stacking energy: -163.664
Base-Backbone interact. energy: -1.737
local terms energy: -307.972317
where:
bonds (distance) C4'-P energy: -99.319
bonds (distance) P-C4' energy: -95.857
flat angles C4'-P-C4' energy: -82.607
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: 19.623
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -645.243418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.243418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.243418 (E_RNA)
where:
Base-Base interactions energy: -318.478
where: short stacking energy: -164.844
Base-Backbone interact. energy: 4.747
local terms energy: -331.511941
where:
bonds (distance) C4'-P energy: -98.035
bonds (distance) P-C4' energy: -110.223
flat angles C4'-P-C4' energy: -83.293
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: 4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2043.925316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.925316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.925316 (E_RNA)
where:
Base-Base interactions energy: -1401.651
where: short stacking energy: -596.627
Base-Backbone interact. energy: -3.421
local terms energy: -638.853048
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -123.107
flat angles C4'-P-C4' energy: -131.426
flat angles P-C4'-P energy: -93.082
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: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1960.359323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.359323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.359323 (E_RNA)
where:
Base-Base interactions energy: -1340.125
where: short stacking energy: -568.580
Base-Backbone interact. energy: -2.669
local terms energy: -617.564815
where:
bonds (distance) C4'-P energy: -103.162
bonds (distance) P-C4' energy: -128.801
flat angles C4'-P-C4' energy: -133.229
flat angles P-C4'-P energy: -77.713
tors. eta vs tors. theta energy: -174.661
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: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1916.680680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.680680 (E_RNA)
where:
Base-Base interactions energy: -1327.412
where: short stacking energy: -535.932
Base-Backbone interact. energy: -4.717
local terms energy: -584.550969
where:
bonds (distance) C4'-P energy: -111.508
bonds (distance) P-C4' energy: -108.298
flat angles C4'-P-C4' energy: -141.297
flat angles P-C4'-P energy: -72.994
tors. eta vs tors. theta energy: -150.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1759.639157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.639157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.639157 (E_RNA)
where:
Base-Base interactions energy: -1178.065
where: short stacking energy: -509.960
Base-Backbone interact. energy: 0.620
local terms energy: -582.193937
where:
bonds (distance) C4'-P energy: -99.912
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -128.336
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -159.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1665.006270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.006270 (E_RNA)
where:
Base-Base interactions energy: -1111.696
where: short stacking energy: -451.110
Base-Backbone interact. energy: -1.860
local terms energy: -551.450186
where:
bonds (distance) C4'-P energy: -112.976
bonds (distance) P-C4' energy: -110.233
flat angles C4'-P-C4' energy: -133.879
flat angles P-C4'-P energy: -80.340
tors. eta vs tors. theta energy: -114.023
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: 160
Temperature: 1.150000
Total energy: -1494.921042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.921042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.921042 (E_RNA)
where:
Base-Base interactions energy: -962.336
where: short stacking energy: -419.445
Base-Backbone interact. energy: -1.331
local terms energy: -531.253944
where:
bonds (distance) C4'-P energy: -103.731
bonds (distance) P-C4' energy: -118.120
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -70.924
tors. eta vs tors. theta energy: -116.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1291.675316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.675316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.675316 (E_RNA)
where:
Base-Base interactions energy: -790.336
where: short stacking energy: -371.544
Base-Backbone interact. energy: -2.130
local terms energy: -499.209583
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -104.650
flat angles C4'-P-C4' energy: -116.065
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -102.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -634.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.636731 (E_RNA)
where:
Base-Base interactions energy: -261.671
where: short stacking energy: -182.277
Base-Backbone interact. energy: -0.682
local terms energy: -372.284507
where:
bonds (distance) C4'-P energy: -104.617
bonds (distance) P-C4' energy: -115.393
flat angles C4'-P-C4' energy: -100.636
flat angles P-C4'-P energy: -54.241
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -732.196317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.196317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.196317 (E_RNA)
where:
Base-Base interactions energy: -364.392
where: short stacking energy: -208.891
Base-Backbone interact. energy: -2.795
local terms energy: -365.009913
where:
bonds (distance) C4'-P energy: -108.038
bonds (distance) P-C4' energy: -102.997
flat angles C4'-P-C4' energy: -110.768
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -587.408056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.408056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.408056 (E_RNA)
where:
Base-Base interactions energy: -270.731
where: short stacking energy: -144.488
Base-Backbone interact. energy: 0.283
local terms energy: -316.959493
where:
bonds (distance) C4'-P energy: -84.361
bonds (distance) P-C4' energy: -113.051
flat angles C4'-P-C4' energy: -89.829
flat angles P-C4'-P energy: -55.099
tors. eta vs tors. theta energy: 25.381
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: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2031.607368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.607368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.607368 (E_RNA)
where:
Base-Base interactions energy: -1369.239
where: short stacking energy: -577.590
Base-Backbone interact. energy: -0.739
local terms energy: -661.629433
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -122.827
flat angles C4'-P-C4' energy: -140.353
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -180.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1947.823102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.823102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.823102 (E_RNA)
where:
Base-Base interactions energy: -1324.458
where: short stacking energy: -563.504
Base-Backbone interact. energy: -0.609
local terms energy: -622.755533
where:
bonds (distance) C4'-P energy: -120.288
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -135.979
flat angles P-C4'-P energy: -88.746
tors. eta vs tors. theta energy: -167.742
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: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1920.152825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.152825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.152825 (E_RNA)
where:
Base-Base interactions energy: -1317.290
where: short stacking energy: -552.341
Base-Backbone interact. energy: 1.002
local terms energy: -603.864937
where:
bonds (distance) C4'-P energy: -120.354
bonds (distance) P-C4' energy: -117.292
flat angles C4'-P-C4' energy: -115.318
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -173.004
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1753.221521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.221521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.221521 (E_RNA)
where:
Base-Base interactions energy: -1166.346
where: short stacking energy: -520.517
Base-Backbone interact. energy: -2.659
local terms energy: -584.216325
where:
bonds (distance) C4'-P energy: -119.980
bonds (distance) P-C4' energy: -102.790
flat angles C4'-P-C4' energy: -127.810
flat angles P-C4'-P energy: -77.727
tors. eta vs tors. theta energy: -155.909
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: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1690.585564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.585564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.585564 (E_RNA)
where:
Base-Base interactions energy: -1152.332
where: short stacking energy: -464.632
Base-Backbone interact. energy: -0.980
local terms energy: -537.274125
where:
bonds (distance) C4'-P energy: -101.907
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -116.298
flat angles P-C4'-P energy: -77.750
tors. eta vs tors. theta energy: -132.494
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: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1504.890386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.890386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.890386 (E_RNA)
where:
Base-Base interactions energy: -979.288
where: short stacking energy: -411.340
Base-Backbone interact. energy: -2.019
local terms energy: -523.582854
where:
bonds (distance) C4'-P energy: -106.608
bonds (distance) P-C4' energy: -96.338
flat angles C4'-P-C4' energy: -125.759
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -130.524
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: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1268.286778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.286778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.286778 (E_RNA)
where:
Base-Base interactions energy: -798.973
where: short stacking energy: -375.572
Base-Backbone interact. energy: 0.846
local terms energy: -470.159710
where:
bonds (distance) C4'-P energy: -95.273
bonds (distance) P-C4' energy: -110.565
flat angles C4'-P-C4' energy: -106.418
flat angles P-C4'-P energy: -69.012
tors. eta vs tors. theta energy: -88.892
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: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -804.100284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.100284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.100284 (E_RNA)
where:
Base-Base interactions energy: -418.571
where: short stacking energy: -203.819
Base-Backbone interact. energy: 0.010
local terms energy: -385.538755
where:
bonds (distance) C4'-P energy: -99.218
bonds (distance) P-C4' energy: -107.215
flat angles C4'-P-C4' energy: -106.048
flat angles P-C4'-P energy: -55.849
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -541.966730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.966730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.966730 (E_RNA)
where:
Base-Base interactions energy: -251.043
where: short stacking energy: -163.505
Base-Backbone interact. energy: -1.329
local terms energy: -289.594377
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -98.863
flat angles C4'-P-C4' energy: -83.466
flat angles P-C4'-P energy: -51.493
tors. eta vs tors. theta energy: 12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -560.170785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.170785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.170785 (E_RNA)
where:
Base-Base interactions energy: -221.101
where: short stacking energy: -160.196
Base-Backbone interact. energy: -1.955
local terms energy: -337.114020
where:
bonds (distance) C4'-P energy: -83.594
bonds (distance) P-C4' energy: -94.534
flat angles C4'-P-C4' energy: -95.765
flat angles P-C4'-P energy: -67.334
tors. eta vs tors. theta energy: 4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2028.688557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.688557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.688557 (E_RNA)
where:
Base-Base interactions energy: -1392.205
where: short stacking energy: -586.948
Base-Backbone interact. energy: -3.640
local terms energy: -632.844201
where:
bonds (distance) C4'-P energy: -113.732
bonds (distance) P-C4' energy: -121.529
flat angles C4'-P-C4' energy: -145.319
flat angles P-C4'-P energy: -81.779
tors. eta vs tors. theta energy: -170.485
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1947.583934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.583934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.583934 (E_RNA)
where:
Base-Base interactions energy: -1318.254
where: short stacking energy: -533.871
Base-Backbone interact. energy: -1.738
local terms energy: -627.591976
where:
bonds (distance) C4'-P energy: -120.973
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -131.603
flat angles P-C4'-P energy: -89.201
tors. eta vs tors. theta energy: -177.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1912.703703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.703703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.703703 (E_RNA)
where:
Base-Base interactions energy: -1310.497
where: short stacking energy: -526.417
Base-Backbone interact. energy: -2.217
local terms energy: -599.989481
where:
bonds (distance) C4'-P energy: -114.504
bonds (distance) P-C4' energy: -131.584
flat angles C4'-P-C4' energy: -127.906
flat angles P-C4'-P energy: -67.519
tors. eta vs tors. theta energy: -158.476
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: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1775.583648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.583648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.583648 (E_RNA)
where:
Base-Base interactions energy: -1213.584
where: short stacking energy: -506.962
Base-Backbone interact. energy: 2.960
local terms energy: -564.959540
where:
bonds (distance) C4'-P energy: -98.272
bonds (distance) P-C4' energy: -125.746
flat angles C4'-P-C4' energy: -117.782
flat angles P-C4'-P energy: -79.067
tors. eta vs tors. theta energy: -144.092
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1669.593317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.593317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.593317 (E_RNA)
where:
Base-Base interactions energy: -1130.794
where: short stacking energy: -482.458
Base-Backbone interact. energy: -3.210
local terms energy: -535.588383
where:
bonds (distance) C4'-P energy: -99.150
bonds (distance) P-C4' energy: -90.409
flat angles C4'-P-C4' energy: -127.192
flat angles P-C4'-P energy: -78.472
tors. eta vs tors. theta energy: -140.366
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1464.673466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.673466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.673466 (E_RNA)
where:
Base-Base interactions energy: -948.572
where: short stacking energy: -422.709
Base-Backbone interact. energy: -1.199
local terms energy: -514.902332
where:
bonds (distance) C4'-P energy: -97.600
bonds (distance) P-C4' energy: -102.467
flat angles C4'-P-C4' energy: -124.319
flat angles P-C4'-P energy: -78.649
tors. eta vs tors. theta energy: -111.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1290.252468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.252468 (E_RNA)
where:
Base-Base interactions energy: -824.335
where: short stacking energy: -381.641
Base-Backbone interact. energy: -0.848
local terms energy: -465.069971
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -111.790
flat angles C4'-P-C4' energy: -101.873
flat angles P-C4'-P energy: -73.508
tors. eta vs tors. theta energy: -81.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -762.849317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.849317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.849317 (E_RNA)
where:
Base-Base interactions energy: -387.699
where: short stacking energy: -217.309
Base-Backbone interact. energy: -0.575
local terms energy: -374.575756
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -95.781
flat angles P-C4'-P energy: -60.350
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: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -605.701744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.701744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.701744 (E_RNA)
where:
Base-Base interactions energy: -258.393
where: short stacking energy: -170.734
Base-Backbone interact. energy: -2.155
local terms energy: -345.153779
where:
bonds (distance) C4'-P energy: -91.892
bonds (distance) P-C4' energy: -110.106
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -66.557
tors. eta vs tors. theta energy: 3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -490.378143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.378143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.378143 (E_RNA)
where:
Base-Base interactions energy: -195.411
where: short stacking energy: -120.892
Base-Backbone interact. energy: 2.855
local terms energy: -297.821955
where:
bonds (distance) C4'-P energy: -95.250
bonds (distance) P-C4' energy: -100.889
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: 12.275
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: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2044.948471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.948471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.948471 (E_RNA)
where:
Base-Base interactions energy: -1388.362
where: short stacking energy: -580.440
Base-Backbone interact. energy: -2.120
local terms energy: -654.466840
where:
bonds (distance) C4'-P energy: -115.129
bonds (distance) P-C4' energy: -120.594
flat angles C4'-P-C4' energy: -146.839
flat angles P-C4'-P energy: -87.016
tors. eta vs tors. theta energy: -184.889
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1963.170155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.170155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.170155 (E_RNA)
where:
Base-Base interactions energy: -1339.836
where: short stacking energy: -569.739
Base-Backbone interact. energy: 0.967
local terms energy: -624.300776
where:
bonds (distance) C4'-P energy: -110.407
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -129.412
flat angles P-C4'-P energy: -85.965
tors. eta vs tors. theta energy: -179.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1896.936153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.936153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.936153 (E_RNA)
where:
Base-Base interactions energy: -1282.783
where: short stacking energy: -541.156
Base-Backbone interact. energy: -0.467
local terms energy: -613.686485
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -115.802
flat angles C4'-P-C4' energy: -135.861
flat angles P-C4'-P energy: -86.842
tors. eta vs tors. theta energy: -169.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1768.353184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.353184 (E_RNA)
where:
Base-Base interactions energy: -1230.786
where: short stacking energy: -500.288
Base-Backbone interact. energy: 4.303
local terms energy: -541.869770
where:
bonds (distance) C4'-P energy: -110.043
bonds (distance) P-C4' energy: -96.873
flat angles C4'-P-C4' energy: -110.380
flat angles P-C4'-P energy: -79.143
tors. eta vs tors. theta energy: -145.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1673.508978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.508978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.508978 (E_RNA)
where:
Base-Base interactions energy: -1100.210
where: short stacking energy: -478.622
Base-Backbone interact. energy: 1.697
local terms energy: -574.996267
where:
bonds (distance) C4'-P energy: -128.288
bonds (distance) P-C4' energy: -109.003
flat angles C4'-P-C4' energy: -123.936
flat angles P-C4'-P energy: -78.019
tors. eta vs tors. theta energy: -135.749
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: 163
Temperature: 1.150000
Total energy: -1477.881841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.881841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.881841 (E_RNA)
where:
Base-Base interactions energy: -960.563
where: short stacking energy: -409.802
Base-Backbone interact. energy: -1.103
local terms energy: -516.216144
where:
bonds (distance) C4'-P energy: -114.325
bonds (distance) P-C4' energy: -100.960
flat angles C4'-P-C4' energy: -117.697
flat angles P-C4'-P energy: -78.100
tors. eta vs tors. theta energy: -105.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1296.438728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.438728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.438728 (E_RNA)
where:
Base-Base interactions energy: -817.848
where: short stacking energy: -373.813
Base-Backbone interact. energy: -1.521
local terms energy: -477.069679
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -103.242
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -69.148
tors. eta vs tors. theta energy: -85.932
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: 163
Temperature: 1.250000
Total energy: -794.228361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.228361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.228361 (E_RNA)
where:
Base-Base interactions energy: -417.782
where: short stacking energy: -219.238
Base-Backbone interact. energy: 4.092
local terms energy: -380.538601
where:
bonds (distance) C4'-P energy: -113.213
bonds (distance) P-C4' energy: -105.807
flat angles C4'-P-C4' energy: -88.735
flat angles P-C4'-P energy: -59.845
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -604.290322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.290322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.290322 (E_RNA)
where:
Base-Base interactions energy: -278.891
where: short stacking energy: -168.188
Base-Backbone interact. energy: 1.861
local terms energy: -327.260750
where:
bonds (distance) C4'-P energy: -93.957
bonds (distance) P-C4' energy: -114.656
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -50.433
tors. eta vs tors. theta energy: 8.054
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: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -521.102767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.102767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.102767 (E_RNA)
where:
Base-Base interactions energy: -219.028
where: short stacking energy: -109.496
Base-Backbone interact. energy: 9.152
local terms energy: -311.226599
where:
bonds (distance) C4'-P energy: -108.297
bonds (distance) P-C4' energy: -105.852
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -43.693
tors. eta vs tors. theta energy: 16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2049.557160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.557160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.557160 (E_RNA)
where:
Base-Base interactions energy: -1417.304
where: short stacking energy: -580.966
Base-Backbone interact. energy: -0.269
local terms energy: -631.983429
where:
bonds (distance) C4'-P energy: -106.869
bonds (distance) P-C4' energy: -120.926
flat angles C4'-P-C4' energy: -142.628
flat angles P-C4'-P energy: -89.097
tors. eta vs tors. theta energy: -172.463
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: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1945.001987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.001987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.001987 (E_RNA)
where:
Base-Base interactions energy: -1333.261
where: short stacking energy: -530.986
Base-Backbone interact. energy: -1.696
local terms energy: -610.044746
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -121.044
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -178.359
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: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1872.614855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.614855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.614855 (E_RNA)
where:
Base-Base interactions energy: -1256.000
where: short stacking energy: -547.135
Base-Backbone interact. energy: -2.220
local terms energy: -614.394798
where:
bonds (distance) C4'-P energy: -114.069
bonds (distance) P-C4' energy: -118.876
flat angles C4'-P-C4' energy: -119.690
flat angles P-C4'-P energy: -95.983
tors. eta vs tors. theta energy: -165.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1743.419199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.419199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.419199 (E_RNA)
where:
Base-Base interactions energy: -1188.440
where: short stacking energy: -503.431
Base-Backbone interact. energy: -3.407
local terms energy: -551.572638
where:
bonds (distance) C4'-P energy: -110.515
bonds (distance) P-C4' energy: -90.348
flat angles C4'-P-C4' energy: -124.291
flat angles P-C4'-P energy: -84.436
tors. eta vs tors. theta energy: -141.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1648.714425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.714425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.714425 (E_RNA)
where:
Base-Base interactions energy: -1113.908
where: short stacking energy: -490.410
Base-Backbone interact. energy: -1.030
local terms energy: -533.776622
where:
bonds (distance) C4'-P energy: -105.330
bonds (distance) P-C4' energy: -95.574
flat angles C4'-P-C4' energy: -120.131
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -136.925
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: 164
Temperature: 1.150000
Total energy: -1526.376217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.376217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.376217 (E_RNA)
where:
Base-Base interactions energy: -993.801
where: short stacking energy: -463.531
Base-Backbone interact. energy: -0.520
local terms energy: -532.055137
where:
bonds (distance) C4'-P energy: -100.560
bonds (distance) P-C4' energy: -106.259
flat angles C4'-P-C4' energy: -119.744
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -140.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1353.191571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.191571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.191571 (E_RNA)
where:
Base-Base interactions energy: -857.879
where: short stacking energy: -383.118
Base-Backbone interact. energy: -1.703
local terms energy: -493.610341
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -100.112
flat angles C4'-P-C4' energy: -117.860
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -88.898
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -821.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.978678 (E_RNA)
where:
Base-Base interactions energy: -455.456
where: short stacking energy: -220.164
Base-Backbone interact. energy: -0.167
local terms energy: -366.356089
where:
bonds (distance) C4'-P energy: -100.332
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -90.956
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -15.789
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: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -600.817733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.817733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.817733 (E_RNA)
where:
Base-Base interactions energy: -255.974
where: short stacking energy: -157.913
Base-Backbone interact. energy: 2.218
local terms energy: -347.061904
where:
bonds (distance) C4'-P energy: -97.847
bonds (distance) P-C4' energy: -112.094
flat angles C4'-P-C4' energy: -105.461
flat angles P-C4'-P energy: -44.907
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: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -483.901811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.901811 (E_RNA)
where:
Base-Base interactions energy: -193.255
where: short stacking energy: -135.475
Base-Backbone interact. energy: 3.925
local terms energy: -294.572372
where:
bonds (distance) C4'-P energy: -92.847
bonds (distance) P-C4' energy: -115.515
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: 19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2042.473876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.473876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.473876 (E_RNA)
where:
Base-Base interactions energy: -1393.553
where: short stacking energy: -571.374
Base-Backbone interact. energy: -5.101
local terms energy: -643.819870
where:
bonds (distance) C4'-P energy: -115.756
bonds (distance) P-C4' energy: -119.640
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -96.345
tors. eta vs tors. theta energy: -169.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1980.879958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.879958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.879958 (E_RNA)
where:
Base-Base interactions energy: -1345.382
where: short stacking energy: -553.770
Base-Backbone interact. energy: -1.412
local terms energy: -634.086343
where:
bonds (distance) C4'-P energy: -127.224
bonds (distance) P-C4' energy: -119.130
flat angles C4'-P-C4' energy: -128.596
flat angles P-C4'-P energy: -79.674
tors. eta vs tors. theta energy: -179.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1884.986508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.986508 (E_RNA)
where:
Base-Base interactions energy: -1294.078
where: short stacking energy: -550.454
Base-Backbone interact. energy: -3.263
local terms energy: -587.645150
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -108.352
flat angles C4'-P-C4' energy: -127.493
flat angles P-C4'-P energy: -75.175
tors. eta vs tors. theta energy: -164.611
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: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1726.063856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.063856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.063856 (E_RNA)
where:
Base-Base interactions energy: -1144.532
where: short stacking energy: -481.744
Base-Backbone interact. energy: -3.914
local terms energy: -577.617959
where:
bonds (distance) C4'-P energy: -98.639
bonds (distance) P-C4' energy: -126.697
flat angles C4'-P-C4' energy: -129.294
flat angles P-C4'-P energy: -79.319
tors. eta vs tors. theta energy: -143.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1660.185699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.185699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.185699 (E_RNA)
where:
Base-Base interactions energy: -1119.744
where: short stacking energy: -464.788
Base-Backbone interact. energy: -3.097
local terms energy: -537.344380
where:
bonds (distance) C4'-P energy: -105.112
bonds (distance) P-C4' energy: -104.858
flat angles C4'-P-C4' energy: -115.842
flat angles P-C4'-P energy: -79.593
tors. eta vs tors. theta energy: -131.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1503.411601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.411601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.411601 (E_RNA)
where:
Base-Base interactions energy: -970.638
where: short stacking energy: -437.599
Base-Backbone interact. energy: -1.298
local terms energy: -531.475562
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -117.769
flat angles C4'-P-C4' energy: -124.646
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -122.443
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: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1349.273655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.273655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.273655 (E_RNA)
where:
Base-Base interactions energy: -854.191
where: short stacking energy: -380.718
Base-Backbone interact. energy: -2.030
local terms energy: -493.052512
where:
bonds (distance) C4'-P energy: -99.602
bonds (distance) P-C4' energy: -111.219
flat angles C4'-P-C4' energy: -111.625
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -105.211
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: 165
Temperature: 1.250000
Total energy: -876.982255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.982255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.982255 (E_RNA)
where:
Base-Base interactions energy: -501.499
where: short stacking energy: -241.410
Base-Backbone interact. energy: 2.138
local terms energy: -377.621214
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -108.726
flat angles C4'-P-C4' energy: -95.918
flat angles P-C4'-P energy: -64.691
tors. eta vs tors. theta energy: -13.311
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -602.307746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.307746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.307746 (E_RNA)
where:
Base-Base interactions energy: -259.977
where: short stacking energy: -177.902
Base-Backbone interact. energy: -2.727
local terms energy: -339.603165
where:
bonds (distance) C4'-P energy: -85.414
bonds (distance) P-C4' energy: -106.361
flat angles C4'-P-C4' energy: -89.930
flat angles P-C4'-P energy: -64.672
tors. eta vs tors. theta energy: 6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -468.518384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.518384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.518384 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -103.640
Base-Backbone interact. energy: 1.834
local terms energy: -340.746282
where:
bonds (distance) C4'-P energy: -97.534
bonds (distance) P-C4' energy: -110.921
flat angles C4'-P-C4' energy: -94.335
flat angles P-C4'-P energy: -59.857
tors. eta vs tors. theta energy: 21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2025.160673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.160673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.160673 (E_RNA)
where:
Base-Base interactions energy: -1360.996
where: short stacking energy: -570.341
Base-Backbone interact. energy: -3.117
local terms energy: -661.047978
where:
bonds (distance) C4'-P energy: -127.955
bonds (distance) P-C4' energy: -126.652
flat angles C4'-P-C4' energy: -138.750
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -174.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1984.547264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.547264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.547264 (E_RNA)
where:
Base-Base interactions energy: -1344.080
where: short stacking energy: -556.609
Base-Backbone interact. energy: -2.705
local terms energy: -637.762951
where:
bonds (distance) C4'-P energy: -122.125
bonds (distance) P-C4' energy: -112.431
flat angles C4'-P-C4' energy: -139.706
flat angles P-C4'-P energy: -96.430
tors. eta vs tors. theta energy: -167.071
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: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1923.096580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.096580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.096580 (E_RNA)
where:
Base-Base interactions energy: -1313.922
where: short stacking energy: -549.556
Base-Backbone interact. energy: 2.551
local terms energy: -611.725332
where:
bonds (distance) C4'-P energy: -116.212
bonds (distance) P-C4' energy: -111.565
flat angles C4'-P-C4' energy: -130.627
flat angles P-C4'-P energy: -83.277
tors. eta vs tors. theta energy: -170.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1760.912952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.912952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.912952 (E_RNA)
where:
Base-Base interactions energy: -1189.599
where: short stacking energy: -482.934
Base-Backbone interact. energy: 1.443
local terms energy: -572.756477
where:
bonds (distance) C4'-P energy: -125.418
bonds (distance) P-C4' energy: -110.924
flat angles C4'-P-C4' energy: -136.489
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -139.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1690.407843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.407843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.407843 (E_RNA)
where:
Base-Base interactions energy: -1158.015
where: short stacking energy: -477.353
Base-Backbone interact. energy: -0.320
local terms energy: -532.072693
where:
bonds (distance) C4'-P energy: -97.299
bonds (distance) P-C4' energy: -111.478
flat angles C4'-P-C4' energy: -112.031
flat angles P-C4'-P energy: -74.178
tors. eta vs tors. theta energy: -137.086
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: 166
Temperature: 1.150000
Total energy: -1552.125430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.125430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.125430 (E_RNA)
where:
Base-Base interactions energy: -1009.814
where: short stacking energy: -456.088
Base-Backbone interact. energy: 0.294
local terms energy: -542.605579
where:
bonds (distance) C4'-P energy: -110.082
bonds (distance) P-C4' energy: -110.775
flat angles C4'-P-C4' energy: -123.064
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -133.342
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: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1331.522823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.522823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.522823 (E_RNA)
where:
Base-Base interactions energy: -841.159
where: short stacking energy: -390.993
Base-Backbone interact. energy: 1.082
local terms energy: -491.446228
where:
bonds (distance) C4'-P energy: -106.925
bonds (distance) P-C4' energy: -115.067
flat angles C4'-P-C4' energy: -106.829
flat angles P-C4'-P energy: -61.128
tors. eta vs tors. theta energy: -101.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -856.357898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.357898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.357898 (E_RNA)
where:
Base-Base interactions energy: -452.426
where: short stacking energy: -227.981
Base-Backbone interact. energy: 3.217
local terms energy: -407.148725
where:
bonds (distance) C4'-P energy: -107.852
bonds (distance) P-C4' energy: -121.410
flat angles C4'-P-C4' energy: -117.304
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: -12.653
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: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -612.784200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.784200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.784200 (E_RNA)
where:
Base-Base interactions energy: -231.949
where: short stacking energy: -143.272
Base-Backbone interact. energy: 5.230
local terms energy: -386.065060
where:
bonds (distance) C4'-P energy: -104.047
bonds (distance) P-C4' energy: -107.637
flat angles C4'-P-C4' energy: -107.698
flat angles P-C4'-P energy: -65.516
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: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -531.242083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.242083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.242083 (E_RNA)
where:
Base-Base interactions energy: -192.209
where: short stacking energy: -141.082
Base-Backbone interact. energy: 11.188
local terms energy: -350.220938
where:
bonds (distance) C4'-P energy: -88.094
bonds (distance) P-C4' energy: -123.168
flat angles C4'-P-C4' energy: -104.813
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: 17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2034.396344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.396344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.396344 (E_RNA)
where:
Base-Base interactions energy: -1370.658
where: short stacking energy: -569.802
Base-Backbone interact. energy: -2.152
local terms energy: -661.586458
where:
bonds (distance) C4'-P energy: -128.618
bonds (distance) P-C4' energy: -133.688
flat angles C4'-P-C4' energy: -134.588
flat angles P-C4'-P energy: -93.349
tors. eta vs tors. theta energy: -171.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1957.067040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.067040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.067040 (E_RNA)
where:
Base-Base interactions energy: -1330.278
where: short stacking energy: -542.942
Base-Backbone interact. energy: -4.037
local terms energy: -622.751886
where:
bonds (distance) C4'-P energy: -119.073
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -119.430
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -174.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1908.227527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.227527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.227527 (E_RNA)
where:
Base-Base interactions energy: -1291.782
where: short stacking energy: -541.758
Base-Backbone interact. energy: -1.062
local terms energy: -615.383236
where:
bonds (distance) C4'-P energy: -125.717
bonds (distance) P-C4' energy: -124.316
flat angles C4'-P-C4' energy: -120.992
flat angles P-C4'-P energy: -85.230
tors. eta vs tors. theta energy: -159.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1796.474702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.474702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.474702 (E_RNA)
where:
Base-Base interactions energy: -1196.280
where: short stacking energy: -495.007
Base-Backbone interact. energy: -3.075
local terms energy: -597.119173
where:
bonds (distance) C4'-P energy: -115.085
bonds (distance) P-C4' energy: -128.155
flat angles C4'-P-C4' energy: -127.439
flat angles P-C4'-P energy: -72.264
tors. eta vs tors. theta energy: -154.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1777.653339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.653339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.653339 (E_RNA)
where:
Base-Base interactions energy: -1192.709
where: short stacking energy: -521.470
Base-Backbone interact. energy: -0.245
local terms energy: -584.699332
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -105.765
flat angles C4'-P-C4' energy: -122.553
flat angles P-C4'-P energy: -83.349
tors. eta vs tors. theta energy: -156.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1592.475190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.475190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.475190 (E_RNA)
where:
Base-Base interactions energy: -1056.091
where: short stacking energy: -477.973
Base-Backbone interact. energy: -0.727
local terms energy: -535.657738
where:
bonds (distance) C4'-P energy: -101.276
bonds (distance) P-C4' energy: -92.850
flat angles C4'-P-C4' energy: -127.963
flat angles P-C4'-P energy: -83.000
tors. eta vs tors. theta energy: -130.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1343.931702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.931702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.931702 (E_RNA)
where:
Base-Base interactions energy: -859.283
where: short stacking energy: -413.883
Base-Backbone interact. energy: -1.559
local terms energy: -483.089972
where:
bonds (distance) C4'-P energy: -104.103
bonds (distance) P-C4' energy: -106.508
flat angles C4'-P-C4' energy: -105.527
flat angles P-C4'-P energy: -61.140
tors. eta vs tors. theta energy: -105.811
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: 167
Temperature: 1.250000
Total energy: -819.758738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.758738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.758738 (E_RNA)
where:
Base-Base interactions energy: -448.323
where: short stacking energy: -217.554
Base-Backbone interact. energy: -1.861
local terms energy: -369.574960
where:
bonds (distance) C4'-P energy: -94.488
bonds (distance) P-C4' energy: -109.029
flat angles C4'-P-C4' energy: -94.989
flat angles P-C4'-P energy: -50.255
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -623.014444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.014444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.014444 (E_RNA)
where:
Base-Base interactions energy: -296.250
where: short stacking energy: -173.261
Base-Backbone interact. energy: 1.425
local terms energy: -328.190027
where:
bonds (distance) C4'-P energy: -95.630
bonds (distance) P-C4' energy: -103.807
flat angles C4'-P-C4' energy: -92.336
flat angles P-C4'-P energy: -52.663
tors. eta vs tors. theta energy: 16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -480.086105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.086105 (E_RNA)
where:
Base-Base interactions energy: -189.520
where: short stacking energy: -157.793
Base-Backbone interact. energy: 2.530
local terms energy: -293.096232
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -79.096
flat angles P-C4'-P energy: -46.280
tors. eta vs tors. theta energy: 24.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2032.499026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.499026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.499026 (E_RNA)
where:
Base-Base interactions energy: -1405.561
where: short stacking energy: -571.232
Base-Backbone interact. energy: -1.908
local terms energy: -625.029515
where:
bonds (distance) C4'-P energy: -112.866
bonds (distance) P-C4' energy: -130.764
flat angles C4'-P-C4' energy: -136.152
flat angles P-C4'-P energy: -88.185
tors. eta vs tors. theta energy: -157.061
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1951.898922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.898922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.898922 (E_RNA)
where:
Base-Base interactions energy: -1331.094
where: short stacking energy: -540.813
Base-Backbone interact. energy: -3.400
local terms energy: -617.404931
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -118.415
flat angles C4'-P-C4' energy: -121.506
flat angles P-C4'-P energy: -90.352
tors. eta vs tors. theta energy: -171.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1944.109295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.109295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.109295 (E_RNA)
where:
Base-Base interactions energy: -1342.810
where: short stacking energy: -546.893
Base-Backbone interact. energy: -2.469
local terms energy: -598.830747
where:
bonds (distance) C4'-P energy: -101.825
bonds (distance) P-C4' energy: -121.182
flat angles C4'-P-C4' energy: -125.734
flat angles P-C4'-P energy: -80.259
tors. eta vs tors. theta energy: -169.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1816.093064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.093064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.093064 (E_RNA)
where:
Base-Base interactions energy: -1230.482
where: short stacking energy: -513.166
Base-Backbone interact. energy: -5.999
local terms energy: -579.612678
where:
bonds (distance) C4'-P energy: -104.338
bonds (distance) P-C4' energy: -118.671
flat angles C4'-P-C4' energy: -123.164
flat angles P-C4'-P energy: -89.143
tors. eta vs tors. theta energy: -144.297
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1756.767316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.767316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.767316 (E_RNA)
where:
Base-Base interactions energy: -1179.996
where: short stacking energy: -511.646
Base-Backbone interact. energy: 1.760
local terms energy: -578.530673
where:
bonds (distance) C4'-P energy: -103.694
bonds (distance) P-C4' energy: -118.263
flat angles C4'-P-C4' energy: -121.681
flat angles P-C4'-P energy: -86.805
tors. eta vs tors. theta energy: -148.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1520.500779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.500779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.500779 (E_RNA)
where:
Base-Base interactions energy: -982.071
where: short stacking energy: -438.579
Base-Backbone interact. energy: 4.441
local terms energy: -542.871739
where:
bonds (distance) C4'-P energy: -116.044
bonds (distance) P-C4' energy: -113.540
flat angles C4'-P-C4' energy: -108.768
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: -125.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1361.036815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.036815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.036815 (E_RNA)
where:
Base-Base interactions energy: -872.846
where: short stacking energy: -407.633
Base-Backbone interact. energy: -1.431
local terms energy: -486.759025
where:
bonds (distance) C4'-P energy: -102.543
bonds (distance) P-C4' energy: -112.967
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: -101.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -861.478047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.478047 (E_RNA)
where:
Base-Base interactions energy: -466.024
where: short stacking energy: -261.582
Base-Backbone interact. energy: -3.263
local terms energy: -392.191499
where:
bonds (distance) C4'-P energy: -103.414
bonds (distance) P-C4' energy: -100.547
flat angles C4'-P-C4' energy: -111.992
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -36.312
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -604.268481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.268481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.268481 (E_RNA)
where:
Base-Base interactions energy: -250.647
where: short stacking energy: -180.515
Base-Backbone interact. energy: -1.234
local terms energy: -352.386856
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -112.682
flat angles C4'-P-C4' energy: -76.991
flat angles P-C4'-P energy: -56.396
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -493.648042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.648042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.648042 (E_RNA)
where:
Base-Base interactions energy: -186.046
where: short stacking energy: -140.645
Base-Backbone interact. energy: 2.613
local terms energy: -310.214783
where:
bonds (distance) C4'-P energy: -109.862
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -97.913
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: 24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2034.259407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.259407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.259407 (E_RNA)
where:
Base-Base interactions energy: -1387.409
where: short stacking energy: -587.763
Base-Backbone interact. energy: -2.684
local terms energy: -644.166458
where:
bonds (distance) C4'-P energy: -127.274
bonds (distance) P-C4' energy: -127.007
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -81.788
tors. eta vs tors. theta energy: -162.486
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: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1986.839430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.839430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.839430 (E_RNA)
where:
Base-Base interactions energy: -1346.502
where: short stacking energy: -561.472
Base-Backbone interact. energy: -2.853
local terms energy: -637.483670
where:
bonds (distance) C4'-P energy: -110.164
bonds (distance) P-C4' energy: -138.946
flat angles C4'-P-C4' energy: -128.966
flat angles P-C4'-P energy: -88.977
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: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1946.361110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.361110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.361110 (E_RNA)
where:
Base-Base interactions energy: -1335.432
where: short stacking energy: -565.515
Base-Backbone interact. energy: -1.221
local terms energy: -609.708335
where:
bonds (distance) C4'-P energy: -108.456
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -134.399
flat angles P-C4'-P energy: -86.323
tors. eta vs tors. theta energy: -170.589
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1742.103467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.103467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.103467 (E_RNA)
where:
Base-Base interactions energy: -1169.386
where: short stacking energy: -472.397
Base-Backbone interact. energy: -7.690
local terms energy: -565.027637
where:
bonds (distance) C4'-P energy: -112.315
bonds (distance) P-C4' energy: -122.893
flat angles C4'-P-C4' energy: -126.702
flat angles P-C4'-P energy: -70.998
tors. eta vs tors. theta energy: -132.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1741.833727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.833727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.833727 (E_RNA)
where:
Base-Base interactions energy: -1159.450
where: short stacking energy: -489.441
Base-Backbone interact. energy: 0.862
local terms energy: -583.245073
where:
bonds (distance) C4'-P energy: -119.278
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -121.147
flat angles P-C4'-P energy: -75.233
tors. eta vs tors. theta energy: -152.078
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: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1516.656193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.656193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.656193 (E_RNA)
where:
Base-Base interactions energy: -1017.973
where: short stacking energy: -453.176
Base-Backbone interact. energy: -4.127
local terms energy: -494.555903
where:
bonds (distance) C4'-P energy: -90.294
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -108.985
flat angles P-C4'-P energy: -70.943
tors. eta vs tors. theta energy: -117.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1366.079511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.079511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.079511 (E_RNA)
where:
Base-Base interactions energy: -876.082
where: short stacking energy: -388.727
Base-Backbone interact. energy: -0.177
local terms energy: -489.820183
where:
bonds (distance) C4'-P energy: -90.407
bonds (distance) P-C4' energy: -101.705
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -98.225
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: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -874.517813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.517813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.517813 (E_RNA)
where:
Base-Base interactions energy: -481.865
where: short stacking energy: -255.148
Base-Backbone interact. energy: 0.026
local terms energy: -392.677960
where:
bonds (distance) C4'-P energy: -81.498
bonds (distance) P-C4' energy: -112.723
flat angles C4'-P-C4' energy: -102.842
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: -35.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -603.967296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.967296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.967296 (E_RNA)
where:
Base-Base interactions energy: -276.642
where: short stacking energy: -156.371
Base-Backbone interact. energy: 9.095
local terms energy: -336.420606
where:
bonds (distance) C4'-P energy: -87.354
bonds (distance) P-C4' energy: -126.377
flat angles C4'-P-C4' energy: -78.260
flat angles P-C4'-P energy: -60.032
tors. eta vs tors. theta energy: 15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -452.943191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.943191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.943191 (E_RNA)
where:
Base-Base interactions energy: -172.522
where: short stacking energy: -145.517
Base-Backbone interact. energy: -1.518
local terms energy: -278.903053
where:
bonds (distance) C4'-P energy: -77.625
bonds (distance) P-C4' energy: -96.162
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -33.492
tors. eta vs tors. theta energy: 18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1998.187454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.187454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.187454 (E_RNA)
where:
Base-Base interactions energy: -1356.158
where: short stacking energy: -556.639
Base-Backbone interact. energy: -3.760
local terms energy: -638.269001
where:
bonds (distance) C4'-P energy: -116.749
bonds (distance) P-C4' energy: -119.488
flat angles C4'-P-C4' energy: -137.761
flat angles P-C4'-P energy: -88.260
tors. eta vs tors. theta energy: -176.012
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: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2018.051205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.051205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.051205 (E_RNA)
where:
Base-Base interactions energy: -1401.229
where: short stacking energy: -559.872
Base-Backbone interact. energy: -2.510
local terms energy: -614.311690
where:
bonds (distance) C4'-P energy: -122.422
bonds (distance) P-C4' energy: -109.703
flat angles C4'-P-C4' energy: -124.482
flat angles P-C4'-P energy: -83.457
tors. eta vs tors. theta energy: -174.248
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: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1946.504187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.504187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.504187 (E_RNA)
where:
Base-Base interactions energy: -1341.310
where: short stacking energy: -583.736
Base-Backbone interact. energy: -2.347
local terms energy: -602.847117
where:
bonds (distance) C4'-P energy: -104.230
bonds (distance) P-C4' energy: -114.091
flat angles C4'-P-C4' energy: -126.560
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -177.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1768.075205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.075205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.075205 (E_RNA)
where:
Base-Base interactions energy: -1210.248
where: short stacking energy: -506.422
Base-Backbone interact. energy: -1.554
local terms energy: -556.274026
where:
bonds (distance) C4'-P energy: -94.951
bonds (distance) P-C4' energy: -131.651
flat angles C4'-P-C4' energy: -122.117
flat angles P-C4'-P energy: -59.583
tors. eta vs tors. theta energy: -147.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1701.965727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.965727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.965727 (E_RNA)
where:
Base-Base interactions energy: -1156.308
where: short stacking energy: -479.133
Base-Backbone interact. energy: -0.705
local terms energy: -544.952749
where:
bonds (distance) C4'-P energy: -100.359
bonds (distance) P-C4' energy: -112.482
flat angles C4'-P-C4' energy: -120.731
flat angles P-C4'-P energy: -81.449
tors. eta vs tors. theta energy: -129.931
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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1486.414192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.414192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.414192 (E_RNA)
where:
Base-Base interactions energy: -992.482
where: short stacking energy: -431.286
Base-Backbone interact. energy: -2.228
local terms energy: -491.704168
where:
bonds (distance) C4'-P energy: -89.462
bonds (distance) P-C4' energy: -104.986
flat angles C4'-P-C4' energy: -112.599
flat angles P-C4'-P energy: -77.382
tors. eta vs tors. theta energy: -107.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1414.838246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.838246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.838246 (E_RNA)
where:
Base-Base interactions energy: -899.443
where: short stacking energy: -401.754
Base-Backbone interact. energy: -2.611
local terms energy: -512.783861
where:
bonds (distance) C4'-P energy: -96.132
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -112.310
flat angles P-C4'-P energy: -65.379
tors. eta vs tors. theta energy: -122.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -823.075737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.075737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.075737 (E_RNA)
where:
Base-Base interactions energy: -462.058
where: short stacking energy: -241.681
Base-Backbone interact. energy: -0.499
local terms energy: -360.518384
where:
bonds (distance) C4'-P energy: -96.189
bonds (distance) P-C4' energy: -103.634
flat angles C4'-P-C4' energy: -81.266
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -23.185
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -597.123614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.123614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.123614 (E_RNA)
where:
Base-Base interactions energy: -256.209
where: short stacking energy: -150.474
Base-Backbone interact. energy: -3.216
local terms energy: -337.698035
where:
bonds (distance) C4'-P energy: -109.807
bonds (distance) P-C4' energy: -106.507
flat angles C4'-P-C4' energy: -81.480
flat angles P-C4'-P energy: -55.258
tors. eta vs tors. theta energy: 15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -457.749457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.749457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.749457 (E_RNA)
where:
Base-Base interactions energy: -178.126
where: short stacking energy: -154.630
Base-Backbone interact. energy: 0.229
local terms energy: -279.852498
where:
bonds (distance) C4'-P energy: -83.931
bonds (distance) P-C4' energy: -100.387
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: 14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2005.506886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.506886 (E_RNA)
where:
Base-Base interactions energy: -1338.085
where: short stacking energy: -572.348
Base-Backbone interact. energy: -1.130
local terms energy: -666.291845
where:
bonds (distance) C4'-P energy: -127.364
bonds (distance) P-C4' energy: -129.921
flat angles C4'-P-C4' energy: -148.770
flat angles P-C4'-P energy: -87.850
tors. eta vs tors. theta energy: -172.387
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: 171
Temperature: 0.950000
Total energy: -1985.539247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.539247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.539247 (E_RNA)
where:
Base-Base interactions energy: -1365.126
where: short stacking energy: -531.062
Base-Backbone interact. energy: 1.699
local terms energy: -622.111925
where:
bonds (distance) C4'-P energy: -109.265
bonds (distance) P-C4' energy: -117.631
flat angles C4'-P-C4' energy: -130.890
flat angles P-C4'-P energy: -101.308
tors. eta vs tors. theta energy: -163.018
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: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1963.504851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.504851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.504851 (E_RNA)
where:
Base-Base interactions energy: -1325.879
where: short stacking energy: -561.205
Base-Backbone interact. energy: -2.982
local terms energy: -634.644432
where:
bonds (distance) C4'-P energy: -121.794
bonds (distance) P-C4' energy: -123.452
flat angles C4'-P-C4' energy: -135.473
flat angles P-C4'-P energy: -82.011
tors. eta vs tors. theta energy: -171.915
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: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1739.714152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.714152 (E_RNA)
where:
Base-Base interactions energy: -1179.832
where: short stacking energy: -517.401
Base-Backbone interact. energy: 0.126
local terms energy: -560.008492
where:
bonds (distance) C4'-P energy: -111.332
bonds (distance) P-C4' energy: -107.312
flat angles C4'-P-C4' energy: -117.429
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -147.234
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: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1703.406015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.406015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.406015 (E_RNA)
where:
Base-Base interactions energy: -1139.011
where: short stacking energy: -464.278
Base-Backbone interact. energy: -2.165
local terms energy: -562.229875
where:
bonds (distance) C4'-P energy: -110.565
bonds (distance) P-C4' energy: -104.915
flat angles C4'-P-C4' energy: -125.046
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -143.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1483.482895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.482895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.482895 (E_RNA)
where:
Base-Base interactions energy: -957.183
where: short stacking energy: -414.460
Base-Backbone interact. energy: 0.639
local terms energy: -526.939175
where:
bonds (distance) C4'-P energy: -103.581
bonds (distance) P-C4' energy: -109.498
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -112.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1332.744048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.744048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.744048 (E_RNA)
where:
Base-Base interactions energy: -842.450
where: short stacking energy: -376.453
Base-Backbone interact. energy: -1.227
local terms energy: -489.066208
where:
bonds (distance) C4'-P energy: -113.285
bonds (distance) P-C4' energy: -106.486
flat angles C4'-P-C4' energy: -113.667
flat angles P-C4'-P energy: -54.374
tors. eta vs tors. theta energy: -101.255
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: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -918.279538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.279538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.279538 (E_RNA)
where:
Base-Base interactions energy: -531.471
where: short stacking energy: -228.314
Base-Backbone interact. energy: 2.964
local terms energy: -389.772914
where:
bonds (distance) C4'-P energy: -108.832
bonds (distance) P-C4' energy: -98.127
flat angles C4'-P-C4' energy: -104.572
flat angles P-C4'-P energy: -57.360
tors. eta vs tors. theta energy: -20.882
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -573.287638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.287638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.287638 (E_RNA)
where:
Base-Base interactions energy: -266.820
where: short stacking energy: -170.577
Base-Backbone interact. energy: -0.591
local terms energy: -305.876082
where:
bonds (distance) C4'-P energy: -91.563
bonds (distance) P-C4' energy: -80.667
flat angles C4'-P-C4' energy: -81.528
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: 16.612
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: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -490.815952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.815952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.815952 (E_RNA)
where:
Base-Base interactions energy: -174.332
where: short stacking energy: -124.499
Base-Backbone interact. energy: 3.677
local terms energy: -320.161559
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -122.086
flat angles C4'-P-C4' energy: -77.546
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: 22.905
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: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2023.291098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.291098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.291098 (E_RNA)
where:
Base-Base interactions energy: -1398.718
where: short stacking energy: -560.786
Base-Backbone interact. energy: -4.047
local terms energy: -620.526631
where:
bonds (distance) C4'-P energy: -120.958
bonds (distance) P-C4' energy: -120.780
flat angles C4'-P-C4' energy: -120.466
flat angles P-C4'-P energy: -83.756
tors. eta vs tors. theta energy: -174.567
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: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1952.857518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.857518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.857518 (E_RNA)
where:
Base-Base interactions energy: -1317.263
where: short stacking energy: -539.532
Base-Backbone interact. energy: -6.008
local terms energy: -629.586756
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -124.996
flat angles C4'-P-C4' energy: -143.679
flat angles P-C4'-P energy: -88.873
tors. eta vs tors. theta energy: -161.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1948.944224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.944224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.944224 (E_RNA)
where:
Base-Base interactions energy: -1330.449
where: short stacking energy: -539.331
Base-Backbone interact. energy: -1.930
local terms energy: -616.565270
where:
bonds (distance) C4'-P energy: -116.314
bonds (distance) P-C4' energy: -109.641
flat angles C4'-P-C4' energy: -128.510
flat angles P-C4'-P energy: -87.886
tors. eta vs tors. theta energy: -174.214
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: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1795.672452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.672452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.672452 (E_RNA)
where:
Base-Base interactions energy: -1198.057
where: short stacking energy: -523.546
Base-Backbone interact. energy: 4.340
local terms energy: -601.954927
where:
bonds (distance) C4'-P energy: -121.608
bonds (distance) P-C4' energy: -128.146
flat angles C4'-P-C4' energy: -131.860
flat angles P-C4'-P energy: -66.946
tors. eta vs tors. theta energy: -153.394
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: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1657.497041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.497041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.497041 (E_RNA)
where:
Base-Base interactions energy: -1127.347
where: short stacking energy: -478.163
Base-Backbone interact. energy: -1.545
local terms energy: -528.604278
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -96.817
flat angles C4'-P-C4' energy: -136.206
flat angles P-C4'-P energy: -61.620
tors. eta vs tors. theta energy: -121.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1526.920680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.920680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.920680 (E_RNA)
where:
Base-Base interactions energy: -958.858
where: short stacking energy: -466.702
Base-Backbone interact. energy: -2.237
local terms energy: -565.825472
where:
bonds (distance) C4'-P energy: -119.930
bonds (distance) P-C4' energy: -98.023
flat angles C4'-P-C4' energy: -126.645
flat angles P-C4'-P energy: -87.250
tors. eta vs tors. theta energy: -133.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1384.625619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.625619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.625619 (E_RNA)
where:
Base-Base interactions energy: -868.888
where: short stacking energy: -392.562
Base-Backbone interact. energy: -1.657
local terms energy: -514.080897
where:
bonds (distance) C4'-P energy: -101.372
bonds (distance) P-C4' energy: -118.668
flat angles C4'-P-C4' energy: -119.875
flat angles P-C4'-P energy: -68.833
tors. eta vs tors. theta energy: -105.332
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -905.061366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.061366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.061366 (E_RNA)
where:
Base-Base interactions energy: -465.068
where: short stacking energy: -263.711
Base-Backbone interact. energy: -3.025
local terms energy: -436.967774
where:
bonds (distance) C4'-P energy: -115.024
bonds (distance) P-C4' energy: -94.088
flat angles C4'-P-C4' energy: -101.725
flat angles P-C4'-P energy: -72.723
tors. eta vs tors. theta energy: -53.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -626.317306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.317306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.317306 (E_RNA)
where:
Base-Base interactions energy: -251.584
where: short stacking energy: -169.874
Base-Backbone interact. energy: -0.543
local terms energy: -374.190281
where:
bonds (distance) C4'-P energy: -101.719
bonds (distance) P-C4' energy: -110.711
flat angles C4'-P-C4' energy: -88.042
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -472.569498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.569498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.569498 (E_RNA)
where:
Base-Base interactions energy: -193.959
where: short stacking energy: -140.586
Base-Backbone interact. energy: -0.254
local terms energy: -278.356491
where:
bonds (distance) C4'-P energy: -105.287
bonds (distance) P-C4' energy: -83.015
flat angles C4'-P-C4' energy: -84.723
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: 18.999
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: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2068.718495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.718495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.718495 (E_RNA)
where:
Base-Base interactions energy: -1402.767
where: short stacking energy: -579.273
Base-Backbone interact. energy: -3.257
local terms energy: -662.694363
where:
bonds (distance) C4'-P energy: -112.745
bonds (distance) P-C4' energy: -122.982
flat angles C4'-P-C4' energy: -136.475
flat angles P-C4'-P energy: -104.358
tors. eta vs tors. theta energy: -186.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1962.933829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.933829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.933829 (E_RNA)
where:
Base-Base interactions energy: -1348.337
where: short stacking energy: -558.770
Base-Backbone interact. energy: 0.260
local terms energy: -614.857120
where:
bonds (distance) C4'-P energy: -118.391
bonds (distance) P-C4' energy: -116.003
flat angles C4'-P-C4' energy: -130.391
flat angles P-C4'-P energy: -86.797
tors. eta vs tors. theta energy: -163.275
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: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1885.800839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.800839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.800839 (E_RNA)
where:
Base-Base interactions energy: -1291.899
where: short stacking energy: -544.656
Base-Backbone interact. energy: -2.433
local terms energy: -591.469093
where:
bonds (distance) C4'-P energy: -96.163
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -125.379
flat angles P-C4'-P energy: -88.715
tors. eta vs tors. theta energy: -162.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1784.383838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.383838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.383838 (E_RNA)
where:
Base-Base interactions energy: -1212.974
where: short stacking energy: -522.785
Base-Backbone interact. energy: -0.593
local terms energy: -570.817239
where:
bonds (distance) C4'-P energy: -114.651
bonds (distance) P-C4' energy: -110.127
flat angles C4'-P-C4' energy: -122.716
flat angles P-C4'-P energy: -78.869
tors. eta vs tors. theta energy: -144.454
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: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1687.459212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.459212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.459212 (E_RNA)
where:
Base-Base interactions energy: -1114.771
where: short stacking energy: -465.572
Base-Backbone interact. energy: 0.926
local terms energy: -573.614174
where:
bonds (distance) C4'-P energy: -105.978
bonds (distance) P-C4' energy: -127.454
flat angles C4'-P-C4' energy: -140.886
flat angles P-C4'-P energy: -61.837
tors. eta vs tors. theta energy: -137.460
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1496.998167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.998167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.998167 (E_RNA)
where:
Base-Base interactions energy: -995.795
where: short stacking energy: -436.374
Base-Backbone interact. energy: 1.686
local terms energy: -502.889786
where:
bonds (distance) C4'-P energy: -104.567
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -103.605
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -125.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1380.131771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.131771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.131771 (E_RNA)
where:
Base-Base interactions energy: -894.940
where: short stacking energy: -374.013
Base-Backbone interact. energy: 0.581
local terms energy: -485.773729
where:
bonds (distance) C4'-P energy: -94.546
bonds (distance) P-C4' energy: -113.410
flat angles C4'-P-C4' energy: -101.926
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -97.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -860.711764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.711764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.711764 (E_RNA)
where:
Base-Base interactions energy: -491.396
where: short stacking energy: -231.286
Base-Backbone interact. energy: -2.092
local terms energy: -367.223705
where:
bonds (distance) C4'-P energy: -106.019
bonds (distance) P-C4' energy: -94.229
flat angles C4'-P-C4' energy: -92.319
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -11.380
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -575.558894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.558894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.558894 (E_RNA)
where:
Base-Base interactions energy: -239.638
where: short stacking energy: -150.844
Base-Backbone interact. energy: -0.580
local terms energy: -335.341172
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -102.063
flat angles C4'-P-C4' energy: -75.343
flat angles P-C4'-P energy: -57.681
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -461.385506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.385506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.385506 (E_RNA)
where:
Base-Base interactions energy: -138.516
where: short stacking energy: -108.473
Base-Backbone interact. energy: 5.446
local terms energy: -328.314993
where:
bonds (distance) C4'-P energy: -82.528
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: 17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2063.494037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.494037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.494037 (E_RNA)
where:
Base-Base interactions energy: -1415.802
where: short stacking energy: -586.507
Base-Backbone interact. energy: -1.334
local terms energy: -646.358403
where:
bonds (distance) C4'-P energy: -130.466
bonds (distance) P-C4' energy: -108.892
flat angles C4'-P-C4' energy: -127.485
flat angles P-C4'-P energy: -98.153
tors. eta vs tors. theta energy: -181.362
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: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1968.756090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.756090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.756090 (E_RNA)
where:
Base-Base interactions energy: -1369.580
where: short stacking energy: -543.644
Base-Backbone interact. energy: -0.746
local terms energy: -598.430156
where:
bonds (distance) C4'-P energy: -98.055
bonds (distance) P-C4' energy: -127.140
flat angles C4'-P-C4' energy: -131.901
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -162.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1911.075053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.075053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.075053 (E_RNA)
where:
Base-Base interactions energy: -1289.833
where: short stacking energy: -560.913
Base-Backbone interact. energy: -3.863
local terms energy: -617.379728
where:
bonds (distance) C4'-P energy: -115.774
bonds (distance) P-C4' energy: -105.140
flat angles C4'-P-C4' energy: -143.231
flat angles P-C4'-P energy: -87.014
tors. eta vs tors. theta energy: -166.220
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1809.245483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.245483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.245483 (E_RNA)
where:
Base-Base interactions energy: -1226.006
where: short stacking energy: -505.097
Base-Backbone interact. energy: 2.097
local terms energy: -585.337149
where:
bonds (distance) C4'-P energy: -94.029
bonds (distance) P-C4' energy: -124.181
flat angles C4'-P-C4' energy: -122.255
flat angles P-C4'-P energy: -91.582
tors. eta vs tors. theta energy: -153.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1698.263103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.263103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.263103 (E_RNA)
where:
Base-Base interactions energy: -1129.092
where: short stacking energy: -469.345
Base-Backbone interact. energy: 5.118
local terms energy: -574.289308
where:
bonds (distance) C4'-P energy: -109.719
bonds (distance) P-C4' energy: -120.847
flat angles C4'-P-C4' energy: -129.891
flat angles P-C4'-P energy: -84.772
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1499.522733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.522733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.522733 (E_RNA)
where:
Base-Base interactions energy: -951.531
where: short stacking energy: -429.974
Base-Backbone interact. energy: -1.080
local terms energy: -546.911625
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -111.157
flat angles C4'-P-C4' energy: -120.221
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -128.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1387.920946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.920946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.920946 (E_RNA)
where:
Base-Base interactions energy: -909.220
where: short stacking energy: -414.772
Base-Backbone interact. energy: 2.757
local terms energy: -481.457948
where:
bonds (distance) C4'-P energy: -86.606
bonds (distance) P-C4' energy: -110.871
flat angles C4'-P-C4' energy: -100.483
flat angles P-C4'-P energy: -70.827
tors. eta vs tors. theta energy: -112.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -837.531556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.531556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.531556 (E_RNA)
where:
Base-Base interactions energy: -476.783
where: short stacking energy: -252.466
Base-Backbone interact. energy: 9.012
local terms energy: -369.759706
where:
bonds (distance) C4'-P energy: -106.334
bonds (distance) P-C4' energy: -88.177
flat angles C4'-P-C4' energy: -98.812
flat angles P-C4'-P energy: -63.501
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -618.726409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.726409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.726409 (E_RNA)
where:
Base-Base interactions energy: -277.898
where: short stacking energy: -165.247
Base-Backbone interact. energy: 6.085
local terms energy: -346.913833
where:
bonds (distance) C4'-P energy: -95.377
bonds (distance) P-C4' energy: -96.226
flat angles C4'-P-C4' energy: -94.701
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: 11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -483.496819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.496819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.496819 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -125.590
Base-Backbone interact. energy: -0.903
local terms energy: -334.961333
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -114.561
flat angles C4'-P-C4' energy: -101.266
flat angles P-C4'-P energy: -49.369
tors. eta vs tors. theta energy: 21.465
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: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2050.742099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.742099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.742099 (E_RNA)
where:
Base-Base interactions energy: -1393.680
where: short stacking energy: -562.727
Base-Backbone interact. energy: 2.404
local terms energy: -659.466032
where:
bonds (distance) C4'-P energy: -117.513
bonds (distance) P-C4' energy: -130.986
flat angles C4'-P-C4' energy: -139.414
flat angles P-C4'-P energy: -100.034
tors. eta vs tors. theta energy: -171.520
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: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1948.001385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.001385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.001385 (E_RNA)
where:
Base-Base interactions energy: -1308.335
where: short stacking energy: -579.873
Base-Backbone interact. energy: -2.724
local terms energy: -636.942149
where:
bonds (distance) C4'-P energy: -126.184
bonds (distance) P-C4' energy: -105.944
flat angles C4'-P-C4' energy: -144.666
flat angles P-C4'-P energy: -86.105
tors. eta vs tors. theta energy: -174.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1910.605636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.605636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.605636 (E_RNA)
where:
Base-Base interactions energy: -1311.265
where: short stacking energy: -569.932
Base-Backbone interact. energy: -2.573
local terms energy: -596.768363
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -123.089
flat angles C4'-P-C4' energy: -127.258
flat angles P-C4'-P energy: -80.417
tors. eta vs tors. theta energy: -160.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1809.482148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.482148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.482148 (E_RNA)
where:
Base-Base interactions energy: -1212.221
where: short stacking energy: -512.347
Base-Backbone interact. energy: -4.249
local terms energy: -593.012067
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -130.228
flat angles P-C4'-P energy: -68.241
tors. eta vs tors. theta energy: -166.378
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1738.270229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.270229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.270229 (E_RNA)
where:
Base-Base interactions energy: -1139.301
where: short stacking energy: -464.454
Base-Backbone interact. energy: -4.878
local terms energy: -594.091596
where:
bonds (distance) C4'-P energy: -122.580
bonds (distance) P-C4' energy: -119.603
flat angles C4'-P-C4' energy: -118.323
flat angles P-C4'-P energy: -86.008
tors. eta vs tors. theta energy: -147.577
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: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1456.359606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.359606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.359606 (E_RNA)
where:
Base-Base interactions energy: -923.852
where: short stacking energy: -461.697
Base-Backbone interact. energy: 3.743
local terms energy: -536.251253
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -105.546
flat angles C4'-P-C4' energy: -110.869
flat angles P-C4'-P energy: -77.039
tors. eta vs tors. theta energy: -132.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1393.678263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.678263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.678263 (E_RNA)
where:
Base-Base interactions energy: -884.904
where: short stacking energy: -408.064
Base-Backbone interact. energy: -1.304
local terms energy: -507.469868
where:
bonds (distance) C4'-P energy: -110.050
bonds (distance) P-C4' energy: -116.301
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -63.350
tors. eta vs tors. theta energy: -113.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -861.590827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.590827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.590827 (E_RNA)
where:
Base-Base interactions energy: -483.788
where: short stacking energy: -231.557
Base-Backbone interact. energy: 0.266
local terms energy: -378.068655
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -116.522
flat angles C4'-P-C4' energy: -77.149
flat angles P-C4'-P energy: -51.741
tors. eta vs tors. theta energy: -34.027
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: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -649.470268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.470268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.470268 (E_RNA)
where:
Base-Base interactions energy: -302.897
where: short stacking energy: -167.397
Base-Backbone interact. energy: -2.774
local terms energy: -343.799848
where:
bonds (distance) C4'-P energy: -124.186
bonds (distance) P-C4' energy: -106.138
flat angles C4'-P-C4' energy: -74.131
flat angles P-C4'-P energy: -37.043
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: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -466.974239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.974239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.974239 (E_RNA)
where:
Base-Base interactions energy: -162.998
where: short stacking energy: -118.466
Base-Backbone interact. energy: -0.847
local terms energy: -303.129341
where:
bonds (distance) C4'-P energy: -102.033
bonds (distance) P-C4' energy: -104.742
flat angles C4'-P-C4' energy: -81.612
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: 23.558
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: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2062.249834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.249834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.249834 (E_RNA)
where:
Base-Base interactions energy: -1394.012
where: short stacking energy: -562.722
Base-Backbone interact. energy: -0.984
local terms energy: -667.253879
where:
bonds (distance) C4'-P energy: -124.269
bonds (distance) P-C4' energy: -133.399
flat angles C4'-P-C4' energy: -138.866
flat angles P-C4'-P energy: -94.017
tors. eta vs tors. theta energy: -176.703
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: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1971.280745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.280745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.280745 (E_RNA)
where:
Base-Base interactions energy: -1335.860
where: short stacking energy: -561.630
Base-Backbone interact. energy: -4.193
local terms energy: -631.227396
where:
bonds (distance) C4'-P energy: -106.305
bonds (distance) P-C4' energy: -125.989
flat angles C4'-P-C4' energy: -137.349
flat angles P-C4'-P energy: -91.454
tors. eta vs tors. theta energy: -170.130
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1928.602328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.602328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.602328 (E_RNA)
where:
Base-Base interactions energy: -1320.920
where: short stacking energy: -540.704
Base-Backbone interact. energy: -1.403
local terms energy: -606.279545
where:
bonds (distance) C4'-P energy: -108.413
bonds (distance) P-C4' energy: -119.672
flat angles C4'-P-C4' energy: -138.183
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -163.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1875.432781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.432781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.432781 (E_RNA)
where:
Base-Base interactions energy: -1296.557
where: short stacking energy: -565.654
Base-Backbone interact. energy: 3.282
local terms energy: -582.158183
where:
bonds (distance) C4'-P energy: -103.595
bonds (distance) P-C4' energy: -108.749
flat angles C4'-P-C4' energy: -131.641
flat angles P-C4'-P energy: -77.579
tors. eta vs tors. theta energy: -160.594
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: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1760.358520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.358520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.358520 (E_RNA)
where:
Base-Base interactions energy: -1185.638
where: short stacking energy: -482.618
Base-Backbone interact. energy: -3.016
local terms energy: -571.704874
where:
bonds (distance) C4'-P energy: -95.538
bonds (distance) P-C4' energy: -113.699
flat angles C4'-P-C4' energy: -136.444
flat angles P-C4'-P energy: -71.678
tors. eta vs tors. theta energy: -154.345
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1460.325881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.325881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.325881 (E_RNA)
where:
Base-Base interactions energy: -980.422
where: short stacking energy: -445.386
Base-Backbone interact. energy: -3.512
local terms energy: -476.391668
where:
bonds (distance) C4'-P energy: -79.694
bonds (distance) P-C4' energy: -84.432
flat angles C4'-P-C4' energy: -116.799
flat angles P-C4'-P energy: -60.159
tors. eta vs tors. theta energy: -135.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1383.263104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.263104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.263104 (E_RNA)
where:
Base-Base interactions energy: -877.988
where: short stacking energy: -401.970
Base-Backbone interact. energy: -3.951
local terms energy: -501.323566
where:
bonds (distance) C4'-P energy: -108.198
bonds (distance) P-C4' energy: -104.222
flat angles C4'-P-C4' energy: -118.978
flat angles P-C4'-P energy: -65.276
tors. eta vs tors. theta energy: -104.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -807.038575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.038575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.038575 (E_RNA)
where:
Base-Base interactions energy: -444.611
where: short stacking energy: -226.146
Base-Backbone interact. energy: -1.290
local terms energy: -361.137338
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -84.727
flat angles P-C4'-P energy: -53.959
tors. eta vs tors. theta energy: -23.242
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: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -650.519850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.519850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.519850 (E_RNA)
where:
Base-Base interactions energy: -277.820
where: short stacking energy: -168.078
Base-Backbone interact. energy: 4.552
local terms energy: -377.252546
where:
bonds (distance) C4'-P energy: -124.819
bonds (distance) P-C4' energy: -102.559
flat angles C4'-P-C4' energy: -96.221
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: 3.588
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: 176
Temperature: 1.350000
Total energy: -476.783781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.783781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.783781 (E_RNA)
where:
Base-Base interactions energy: -213.537
where: short stacking energy: -143.771
Base-Backbone interact. energy: 3.610
local terms energy: -266.857407
where:
bonds (distance) C4'-P energy: -98.360
bonds (distance) P-C4' energy: -96.038
flat angles C4'-P-C4' energy: -79.597
flat angles P-C4'-P energy: -18.886
tors. eta vs tors. theta energy: 26.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2053.553820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.553820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.553820 (E_RNA)
where:
Base-Base interactions energy: -1395.597
where: short stacking energy: -549.660
Base-Backbone interact. energy: -1.548
local terms energy: -656.408719
where:
bonds (distance) C4'-P energy: -120.853
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -138.817
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -176.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2022.967978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.967978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.967978 (E_RNA)
where:
Base-Base interactions energy: -1365.468
where: short stacking energy: -594.504
Base-Backbone interact. energy: -2.999
local terms energy: -654.500296
where:
bonds (distance) C4'-P energy: -104.159
bonds (distance) P-C4' energy: -131.202
flat angles C4'-P-C4' energy: -133.624
flat angles P-C4'-P energy: -99.883
tors. eta vs tors. theta energy: -185.632
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: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1933.458539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.458539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.458539 (E_RNA)
where:
Base-Base interactions energy: -1328.015
where: short stacking energy: -579.269
Base-Backbone interact. energy: -2.032
local terms energy: -603.411770
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -111.170
flat angles C4'-P-C4' energy: -131.387
flat angles P-C4'-P energy: -91.533
tors. eta vs tors. theta energy: -177.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1863.858625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.858625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.858625 (E_RNA)
where:
Base-Base interactions energy: -1246.115
where: short stacking energy: -536.746
Base-Backbone interact. energy: -5.425
local terms energy: -612.318376
where:
bonds (distance) C4'-P energy: -107.360
bonds (distance) P-C4' energy: -116.565
flat angles C4'-P-C4' energy: -123.545
flat angles P-C4'-P energy: -103.320
tors. eta vs tors. theta energy: -161.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1721.728811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.728811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.728811 (E_RNA)
where:
Base-Base interactions energy: -1143.508
where: short stacking energy: -490.617
Base-Backbone interact. energy: 5.960
local terms energy: -584.180960
where:
bonds (distance) C4'-P energy: -110.024
bonds (distance) P-C4' energy: -110.070
flat angles C4'-P-C4' energy: -130.144
flat angles P-C4'-P energy: -81.492
tors. eta vs tors. theta energy: -152.450
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: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1398.500529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.500529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.500529 (E_RNA)
where:
Base-Base interactions energy: -908.398
where: short stacking energy: -406.623
Base-Backbone interact. energy: -1.814
local terms energy: -488.288611
where:
bonds (distance) C4'-P energy: -99.810
bonds (distance) P-C4' energy: -98.479
flat angles C4'-P-C4' energy: -108.485
flat angles P-C4'-P energy: -79.062
tors. eta vs tors. theta energy: -102.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1376.512574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.512574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.512574 (E_RNA)
where:
Base-Base interactions energy: -864.707
where: short stacking energy: -389.119
Base-Backbone interact. energy: 0.327
local terms energy: -512.132212
where:
bonds (distance) C4'-P energy: -114.257
bonds (distance) P-C4' energy: -96.516
flat angles C4'-P-C4' energy: -116.932
flat angles P-C4'-P energy: -70.340
tors. eta vs tors. theta energy: -114.087
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -815.758053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.758053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.758053 (E_RNA)
where:
Base-Base interactions energy: -457.465
where: short stacking energy: -234.362
Base-Backbone interact. energy: 1.055
local terms energy: -359.348520
where:
bonds (distance) C4'-P energy: -96.069
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -88.158
flat angles P-C4'-P energy: -54.318
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -684.295256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.295256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.295256 (E_RNA)
where:
Base-Base interactions energy: -329.194
where: short stacking energy: -176.765
Base-Backbone interact. energy: -3.708
local terms energy: -351.393911
where:
bonds (distance) C4'-P energy: -105.161
bonds (distance) P-C4' energy: -97.092
flat angles C4'-P-C4' energy: -87.370
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -485.071187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.071187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.071187 (E_RNA)
where:
Base-Base interactions energy: -183.306
where: short stacking energy: -115.188
Base-Backbone interact. energy: 0.018
local terms energy: -301.783599
where:
bonds (distance) C4'-P energy: -96.089
bonds (distance) P-C4' energy: -101.689
flat angles C4'-P-C4' energy: -91.341
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: 29.640
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: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2049.735405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.735405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.735405 (E_RNA)
where:
Base-Base interactions energy: -1366.211
where: short stacking energy: -560.105
Base-Backbone interact. energy: -3.045
local terms energy: -680.479327
where:
bonds (distance) C4'-P energy: -128.252
bonds (distance) P-C4' energy: -137.055
flat angles C4'-P-C4' energy: -141.952
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -177.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2010.656327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.656327 (E_RNA)
where:
Base-Base interactions energy: -1372.341
where: short stacking energy: -547.878
Base-Backbone interact. energy: -3.252
local terms energy: -635.063677
where:
bonds (distance) C4'-P energy: -111.680
bonds (distance) P-C4' energy: -127.165
flat angles C4'-P-C4' energy: -123.700
flat angles P-C4'-P energy: -92.956
tors. eta vs tors. theta energy: -179.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1934.330439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.330439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.330439 (E_RNA)
where:
Base-Base interactions energy: -1307.999
where: short stacking energy: -548.978
Base-Backbone interact. energy: 2.214
local terms energy: -628.545572
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -124.818
flat angles C4'-P-C4' energy: -134.056
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -167.046
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: 178
Temperature: 1.050000
Total energy: -1847.747454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.747454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.747454 (E_RNA)
where:
Base-Base interactions energy: -1257.416
where: short stacking energy: -564.090
Base-Backbone interact. energy: 0.522
local terms energy: -590.853317
where:
bonds (distance) C4'-P energy: -112.616
bonds (distance) P-C4' energy: -112.607
flat angles C4'-P-C4' energy: -128.819
flat angles P-C4'-P energy: -64.759
tors. eta vs tors. theta energy: -172.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1655.237357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.237357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.237357 (E_RNA)
where:
Base-Base interactions energy: -1100.491
where: short stacking energy: -451.894
Base-Backbone interact. energy: 1.604
local terms energy: -556.349768
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -127.649
flat angles C4'-P-C4' energy: -117.179
flat angles P-C4'-P energy: -68.412
tors. eta vs tors. theta energy: -122.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1385.087284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.087284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.087284 (E_RNA)
where:
Base-Base interactions energy: -874.430
where: short stacking energy: -400.221
Base-Backbone interact. energy: 1.664
local terms energy: -512.321968
where:
bonds (distance) C4'-P energy: -89.308
bonds (distance) P-C4' energy: -114.321
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -79.959
tors. eta vs tors. theta energy: -96.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1340.853635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.853635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.853635 (E_RNA)
where:
Base-Base interactions energy: -841.844
where: short stacking energy: -373.465
Base-Backbone interact. energy: 1.586
local terms energy: -500.595279
where:
bonds (distance) C4'-P energy: -110.620
bonds (distance) P-C4' energy: -114.453
flat angles C4'-P-C4' energy: -111.528
flat angles P-C4'-P energy: -66.774
tors. eta vs tors. theta energy: -97.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -865.925458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.925458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.925458 (E_RNA)
where:
Base-Base interactions energy: -492.715
where: short stacking energy: -245.036
Base-Backbone interact. energy: -1.535
local terms energy: -371.676130
where:
bonds (distance) C4'-P energy: -102.791
bonds (distance) P-C4' energy: -84.339
flat angles C4'-P-C4' energy: -81.015
flat angles P-C4'-P energy: -73.472
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -731.140525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.140525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.140525 (E_RNA)
where:
Base-Base interactions energy: -352.305
where: short stacking energy: -212.075
Base-Backbone interact. energy: -3.505
local terms energy: -375.330730
where:
bonds (distance) C4'-P energy: -113.621
bonds (distance) P-C4' energy: -94.071
flat angles C4'-P-C4' energy: -99.539
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -441.137926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.137926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.137926 (E_RNA)
where:
Base-Base interactions energy: -141.249
where: short stacking energy: -96.402
Base-Backbone interact. energy: -1.755
local terms energy: -298.134660
where:
bonds (distance) C4'-P energy: -123.978
bonds (distance) P-C4' energy: -98.376
flat angles C4'-P-C4' energy: -87.924
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: 51.802
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2092.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.883225 (E_RNA)
where:
Base-Base interactions energy: -1418.140
where: short stacking energy: -589.231
Base-Backbone interact. energy: -3.022
local terms energy: -671.721141
where:
bonds (distance) C4'-P energy: -120.929
bonds (distance) P-C4' energy: -127.795
flat angles C4'-P-C4' energy: -144.493
flat angles P-C4'-P energy: -90.455
tors. eta vs tors. theta energy: -188.049
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: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2014.898163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.898163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.898163 (E_RNA)
where:
Base-Base interactions energy: -1382.621
where: short stacking energy: -551.577
Base-Backbone interact. energy: 1.487
local terms energy: -633.764032
where:
bonds (distance) C4'-P energy: -105.739
bonds (distance) P-C4' energy: -120.142
flat angles C4'-P-C4' energy: -145.756
flat angles P-C4'-P energy: -91.085
tors. eta vs tors. theta energy: -171.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1928.668710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.668710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.668710 (E_RNA)
where:
Base-Base interactions energy: -1320.193
where: short stacking energy: -547.558
Base-Backbone interact. energy: -2.650
local terms energy: -605.825129
where:
bonds (distance) C4'-P energy: -95.358
bonds (distance) P-C4' energy: -130.748
flat angles C4'-P-C4' energy: -128.841
flat angles P-C4'-P energy: -91.641
tors. eta vs tors. theta energy: -159.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1786.005320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.005320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.005320 (E_RNA)
where:
Base-Base interactions energy: -1214.269
where: short stacking energy: -513.724
Base-Backbone interact. energy: -2.533
local terms energy: -569.203043
where:
bonds (distance) C4'-P energy: -112.555
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -128.908
flat angles P-C4'-P energy: -70.499
tors. eta vs tors. theta energy: -142.947
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: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1625.038042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.038042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.038042 (E_RNA)
where:
Base-Base interactions energy: -1062.473
where: short stacking energy: -468.415
Base-Backbone interact. energy: -0.256
local terms energy: -562.308493
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -111.339
flat angles C4'-P-C4' energy: -116.337
flat angles P-C4'-P energy: -73.443
tors. eta vs tors. theta energy: -136.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1441.858301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.858301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.858301 (E_RNA)
where:
Base-Base interactions energy: -929.275
where: short stacking energy: -436.177
Base-Backbone interact. energy: -2.486
local terms energy: -510.097014
where:
bonds (distance) C4'-P energy: -91.532
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -112.068
flat angles P-C4'-P energy: -78.058
tors. eta vs tors. theta energy: -114.468
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: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1321.036489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.036489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.036489 (E_RNA)
where:
Base-Base interactions energy: -842.017
where: short stacking energy: -367.365
Base-Backbone interact. energy: -2.561
local terms energy: -476.459001
where:
bonds (distance) C4'-P energy: -110.144
bonds (distance) P-C4' energy: -93.960
flat angles C4'-P-C4' energy: -107.876
flat angles P-C4'-P energy: -70.698
tors. eta vs tors. theta energy: -93.781
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: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1006.366125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.366125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.366125 (E_RNA)
where:
Base-Base interactions energy: -613.275
where: short stacking energy: -304.876
Base-Backbone interact. energy: 0.211
local terms energy: -393.302152
where:
bonds (distance) C4'-P energy: -72.077
bonds (distance) P-C4' energy: -97.734
flat angles C4'-P-C4' energy: -110.059
flat angles P-C4'-P energy: -63.285
tors. eta vs tors. theta energy: -50.147
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: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -676.896952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.896952 (E_RNA)
where:
Base-Base interactions energy: -291.370
where: short stacking energy: -162.724
Base-Backbone interact. energy: 3.788
local terms energy: -389.315093
where:
bonds (distance) C4'-P energy: -109.632
bonds (distance) P-C4' energy: -120.262
flat angles C4'-P-C4' energy: -88.263
flat angles P-C4'-P energy: -63.515
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -487.537145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.537145 (E_RNA)
where:
Base-Base interactions energy: -174.809
where: short stacking energy: -147.160
Base-Backbone interact. energy: 1.824
local terms energy: -314.551558
where:
bonds (distance) C4'-P energy: -92.650
bonds (distance) P-C4' energy: -112.515
flat angles C4'-P-C4' energy: -83.183
flat angles P-C4'-P energy: -54.862
tors. eta vs tors. theta energy: 28.658
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: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2075.791921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.791921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.791921 (E_RNA)
where:
Base-Base interactions energy: -1425.531
where: short stacking energy: -602.359
Base-Backbone interact. energy: 0.361
local terms energy: -650.621953
where:
bonds (distance) C4'-P energy: -107.660
bonds (distance) P-C4' energy: -120.650
flat angles C4'-P-C4' energy: -133.897
flat angles P-C4'-P energy: -100.999
tors. eta vs tors. theta energy: -187.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2014.998398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.998398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.998398 (E_RNA)
where:
Base-Base interactions energy: -1410.932
where: short stacking energy: -581.500
Base-Backbone interact. energy: 3.276
local terms energy: -607.342535
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -125.627
flat angles C4'-P-C4' energy: -121.342
flat angles P-C4'-P energy: -94.113
tors. eta vs tors. theta energy: -161.975
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: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1931.113198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.113198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.113198 (E_RNA)
where:
Base-Base interactions energy: -1334.606
where: short stacking energy: -567.974
Base-Backbone interact. energy: -1.699
local terms energy: -594.808191
where:
bonds (distance) C4'-P energy: -97.262
bonds (distance) P-C4' energy: -122.634
flat angles C4'-P-C4' energy: -123.268
flat angles P-C4'-P energy: -82.645
tors. eta vs tors. theta energy: -168.999
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1784.935334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.935334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.935334 (E_RNA)
where:
Base-Base interactions energy: -1180.758
where: short stacking energy: -505.650
Base-Backbone interact. energy: -2.006
local terms energy: -602.170414
where:
bonds (distance) C4'-P energy: -115.576
bonds (distance) P-C4' energy: -116.702
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -98.748
tors. eta vs tors. theta energy: -153.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1614.378211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.378211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.378211 (E_RNA)
where:
Base-Base interactions energy: -1072.255
where: short stacking energy: -497.440
Base-Backbone interact. energy: 5.518
local terms energy: -547.641112
where:
bonds (distance) C4'-P energy: -100.484
bonds (distance) P-C4' energy: -118.570
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -83.932
tors. eta vs tors. theta energy: -138.325
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1431.640745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.640745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.640745 (E_RNA)
where:
Base-Base interactions energy: -931.479
where: short stacking energy: -429.190
Base-Backbone interact. energy: 5.408
local terms energy: -505.569793
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -112.646
flat angles C4'-P-C4' energy: -110.870
flat angles P-C4'-P energy: -76.746
tors. eta vs tors. theta energy: -106.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1290.475936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.475936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.475936 (E_RNA)
where:
Base-Base interactions energy: -826.064
where: short stacking energy: -356.077
Base-Backbone interact. energy: 2.067
local terms energy: -466.478201
where:
bonds (distance) C4'-P energy: -92.869
bonds (distance) P-C4' energy: -109.870
flat angles C4'-P-C4' energy: -107.051
flat angles P-C4'-P energy: -80.486
tors. eta vs tors. theta energy: -76.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -931.726202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.726202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.726202 (E_RNA)
where:
Base-Base interactions energy: -528.720
where: short stacking energy: -254.476
Base-Backbone interact. energy: 7.815
local terms energy: -410.820535
where:
bonds (distance) C4'-P energy: -101.703
bonds (distance) P-C4' energy: -116.082
flat angles C4'-P-C4' energy: -85.108
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -37.514
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: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -665.605954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.605954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.605954 (E_RNA)
where:
Base-Base interactions energy: -325.354
where: short stacking energy: -188.164
Base-Backbone interact. energy: 4.931
local terms energy: -345.182886
where:
bonds (distance) C4'-P energy: -86.823
bonds (distance) P-C4' energy: -118.957
flat angles C4'-P-C4' energy: -84.158
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -492.417377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.417377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.417377 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -139.648
Base-Backbone interact. energy: -3.340
local terms energy: -318.176433
where:
bonds (distance) C4'-P energy: -89.583
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -88.602
flat angles P-C4'-P energy: -60.183
tors. eta vs tors. theta energy: 18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2066.916331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.916331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.916331 (E_RNA)
where:
Base-Base interactions energy: -1390.189
where: short stacking energy: -613.614
Base-Backbone interact. energy: -1.239
local terms energy: -675.488547
where:
bonds (distance) C4'-P energy: -121.989
bonds (distance) P-C4' energy: -118.658
flat angles C4'-P-C4' energy: -144.166
flat angles P-C4'-P energy: -99.274
tors. eta vs tors. theta energy: -191.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2028.841710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.841710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.841710 (E_RNA)
where:
Base-Base interactions energy: -1380.519
where: short stacking energy: -555.145
Base-Backbone interact. energy: -1.965
local terms energy: -646.357521
where:
bonds (distance) C4'-P energy: -119.367
bonds (distance) P-C4' energy: -117.407
flat angles C4'-P-C4' energy: -136.671
flat angles P-C4'-P energy: -98.070
tors. eta vs tors. theta energy: -174.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1949.288567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.288567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.288567 (E_RNA)
where:
Base-Base interactions energy: -1317.059
where: short stacking energy: -554.697
Base-Backbone interact. energy: 3.812
local terms energy: -636.042279
where:
bonds (distance) C4'-P energy: -119.848
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -133.879
flat angles P-C4'-P energy: -100.771
tors. eta vs tors. theta energy: -171.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1825.799860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.799860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.799860 (E_RNA)
where:
Base-Base interactions energy: -1211.873
where: short stacking energy: -548.350
Base-Backbone interact. energy: 0.580
local terms energy: -614.507118
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -108.950
flat angles C4'-P-C4' energy: -138.116
flat angles P-C4'-P energy: -85.417
tors. eta vs tors. theta energy: -166.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1603.405971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.405971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.405971 (E_RNA)
where:
Base-Base interactions energy: -1068.451
where: short stacking energy: -459.218
Base-Backbone interact. energy: -1.689
local terms energy: -533.265423
where:
bonds (distance) C4'-P energy: -105.242
bonds (distance) P-C4' energy: -108.724
flat angles C4'-P-C4' energy: -112.586
flat angles P-C4'-P energy: -72.064
tors. eta vs tors. theta energy: -134.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1406.365886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.365886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.365886 (E_RNA)
where:
Base-Base interactions energy: -904.915
where: short stacking energy: -394.876
Base-Backbone interact. energy: -3.434
local terms energy: -498.017212
where:
bonds (distance) C4'-P energy: -96.395
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -113.562
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -98.114
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: 181
Temperature: 1.200000
Total energy: -1364.760960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.760960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.760960 (E_RNA)
where:
Base-Base interactions energy: -877.342
where: short stacking energy: -411.665
Base-Backbone interact. energy: -0.980
local terms energy: -486.438828
where:
bonds (distance) C4'-P energy: -85.201
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -122.949
flat angles P-C4'-P energy: -65.814
tors. eta vs tors. theta energy: -109.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -896.843412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.843412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.843412 (E_RNA)
where:
Base-Base interactions energy: -489.372
where: short stacking energy: -253.350
Base-Backbone interact. energy: -0.476
local terms energy: -406.994908
where:
bonds (distance) C4'-P energy: -103.748
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -108.875
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -25.237
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: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -711.098336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.098336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.098336 (E_RNA)
where:
Base-Base interactions energy: -374.364
where: short stacking energy: -202.932
Base-Backbone interact. energy: -3.404
local terms energy: -333.329871
where:
bonds (distance) C4'-P energy: -83.594
bonds (distance) P-C4' energy: -107.342
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -51.841
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -500.246263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.246263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.246263 (E_RNA)
where:
Base-Base interactions energy: -182.605
where: short stacking energy: -128.519
Base-Backbone interact. energy: 0.434
local terms energy: -318.074552
where:
bonds (distance) C4'-P energy: -95.150
bonds (distance) P-C4' energy: -96.980
flat angles C4'-P-C4' energy: -80.314
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2035.772423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.772423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.772423 (E_RNA)
where:
Base-Base interactions energy: -1385.489
where: short stacking energy: -582.146
Base-Backbone interact. energy: -1.489
local terms energy: -648.794007
where:
bonds (distance) C4'-P energy: -115.346
bonds (distance) P-C4' energy: -129.195
flat angles C4'-P-C4' energy: -135.606
flat angles P-C4'-P energy: -94.509
tors. eta vs tors. theta energy: -174.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2010.115817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.115817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.115817 (E_RNA)
where:
Base-Base interactions energy: -1391.958
where: short stacking energy: -561.744
Base-Backbone interact. energy: -0.593
local terms energy: -617.565483
where:
bonds (distance) C4'-P energy: -114.256
bonds (distance) P-C4' energy: -112.052
flat angles C4'-P-C4' energy: -136.486
flat angles P-C4'-P energy: -81.474
tors. eta vs tors. theta energy: -173.298
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: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1917.037797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.037797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.037797 (E_RNA)
where:
Base-Base interactions energy: -1310.830
where: short stacking energy: -549.972
Base-Backbone interact. energy: -2.808
local terms energy: -603.399682
where:
bonds (distance) C4'-P energy: -107.950
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -133.471
flat angles P-C4'-P energy: -91.174
tors. eta vs tors. theta energy: -161.974
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: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1816.913668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.913668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.913668 (E_RNA)
where:
Base-Base interactions energy: -1240.947
where: short stacking energy: -545.703
Base-Backbone interact. energy: -1.492
local terms energy: -574.474441
where:
bonds (distance) C4'-P energy: -101.558
bonds (distance) P-C4' energy: -107.322
flat angles C4'-P-C4' energy: -124.922
flat angles P-C4'-P energy: -92.094
tors. eta vs tors. theta energy: -148.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1647.381104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.381104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.381104 (E_RNA)
where:
Base-Base interactions energy: -1087.750
where: short stacking energy: -472.138
Base-Backbone interact. energy: -2.267
local terms energy: -557.364341
where:
bonds (distance) C4'-P energy: -111.922
bonds (distance) P-C4' energy: -119.733
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -80.733
tors. eta vs tors. theta energy: -135.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1452.462314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.462314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.462314 (E_RNA)
where:
Base-Base interactions energy: -923.035
where: short stacking energy: -419.160
Base-Backbone interact. energy: -1.230
local terms energy: -528.197215
where:
bonds (distance) C4'-P energy: -106.866
bonds (distance) P-C4' energy: -121.236
flat angles C4'-P-C4' energy: -111.166
flat angles P-C4'-P energy: -78.637
tors. eta vs tors. theta energy: -110.292
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: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1394.512598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.512598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.512598 (E_RNA)
where:
Base-Base interactions energy: -888.283
where: short stacking energy: -390.852
Base-Backbone interact. energy: 0.612
local terms energy: -506.841928
where:
bonds (distance) C4'-P energy: -98.086
bonds (distance) P-C4' energy: -118.074
flat angles C4'-P-C4' energy: -128.277
flat angles P-C4'-P energy: -57.541
tors. eta vs tors. theta energy: -104.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -938.725199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.725199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.725199 (E_RNA)
where:
Base-Base interactions energy: -526.507
where: short stacking energy: -246.465
Base-Backbone interact. energy: -2.812
local terms energy: -409.405831
where:
bonds (distance) C4'-P energy: -113.602
bonds (distance) P-C4' energy: -102.376
flat angles C4'-P-C4' energy: -102.730
flat angles P-C4'-P energy: -57.781
tors. eta vs tors. theta energy: -32.917
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: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -712.758212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.758212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.758212 (E_RNA)
where:
Base-Base interactions energy: -392.519
where: short stacking energy: -218.257
Base-Backbone interact. energy: -0.449
local terms energy: -319.791024
where:
bonds (distance) C4'-P energy: -76.906
bonds (distance) P-C4' energy: -97.939
flat angles C4'-P-C4' energy: -84.657
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -7.426
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: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -465.932615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.932615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.932615 (E_RNA)
where:
Base-Base interactions energy: -190.570
where: short stacking energy: -147.243
Base-Backbone interact. energy: 4.191
local terms energy: -279.553209
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -100.828
flat angles C4'-P-C4' energy: -77.837
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: 14.982
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: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2064.415321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.415321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.415321 (E_RNA)
where:
Base-Base interactions energy: -1437.296
where: short stacking energy: -619.836
Base-Backbone interact. energy: -0.598
local terms energy: -626.521336
where:
bonds (distance) C4'-P energy: -117.783
bonds (distance) P-C4' energy: -119.332
flat angles C4'-P-C4' energy: -134.063
flat angles P-C4'-P energy: -85.834
tors. eta vs tors. theta energy: -169.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1998.321022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.321022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.321022 (E_RNA)
where:
Base-Base interactions energy: -1366.214
where: short stacking energy: -579.343
Base-Backbone interact. energy: -2.061
local terms energy: -630.046433
where:
bonds (distance) C4'-P energy: -114.864
bonds (distance) P-C4' energy: -118.101
flat angles C4'-P-C4' energy: -134.786
flat angles P-C4'-P energy: -91.929
tors. eta vs tors. theta energy: -170.366
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: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1886.606455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.606455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.606455 (E_RNA)
where:
Base-Base interactions energy: -1318.773
where: short stacking energy: -554.189
Base-Backbone interact. energy: -0.656
local terms energy: -567.177668
where:
bonds (distance) C4'-P energy: -106.077
bonds (distance) P-C4' energy: -111.328
flat angles C4'-P-C4' energy: -117.528
flat angles P-C4'-P energy: -87.325
tors. eta vs tors. theta energy: -144.920
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: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1773.759671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.759671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.759671 (E_RNA)
where:
Base-Base interactions energy: -1200.772
where: short stacking energy: -500.561
Base-Backbone interact. energy: -3.528
local terms energy: -569.459542
where:
bonds (distance) C4'-P energy: -123.712
bonds (distance) P-C4' energy: -117.802
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -68.182
tors. eta vs tors. theta energy: -132.662
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: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1630.826499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.826499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.826499 (E_RNA)
where:
Base-Base interactions energy: -1075.940
where: short stacking energy: -476.147
Base-Backbone interact. energy: -0.244
local terms energy: -554.642386
where:
bonds (distance) C4'-P energy: -122.430
bonds (distance) P-C4' energy: -120.417
flat angles C4'-P-C4' energy: -114.867
flat angles P-C4'-P energy: -64.564
tors. eta vs tors. theta energy: -132.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1395.968360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.968360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.968360 (E_RNA)
where:
Base-Base interactions energy: -885.418
where: short stacking energy: -377.608
Base-Backbone interact. energy: -1.464
local terms energy: -509.086263
where:
bonds (distance) C4'-P energy: -82.758
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -129.812
flat angles P-C4'-P energy: -85.289
tors. eta vs tors. theta energy: -96.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1395.650009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.650009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.650009 (E_RNA)
where:
Base-Base interactions energy: -871.545
where: short stacking energy: -385.686
Base-Backbone interact. energy: 0.209
local terms energy: -524.313442
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -68.933
tors. eta vs tors. theta energy: -122.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -886.778769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.778769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.778769 (E_RNA)
where:
Base-Base interactions energy: -458.960
where: short stacking energy: -201.019
Base-Backbone interact. energy: -2.988
local terms energy: -424.831065
where:
bonds (distance) C4'-P energy: -114.918
bonds (distance) P-C4' energy: -109.332
flat angles C4'-P-C4' energy: -107.934
flat angles P-C4'-P energy: -77.007
tors. eta vs tors. theta energy: -15.641
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -681.569244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.569244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.569244 (E_RNA)
where:
Base-Base interactions energy: -330.725
where: short stacking energy: -180.710
Base-Backbone interact. energy: -3.602
local terms energy: -347.242629
where:
bonds (distance) C4'-P energy: -98.967
bonds (distance) P-C4' energy: -108.840
flat angles C4'-P-C4' energy: -92.645
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -452.891766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.891766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.891766 (E_RNA)
where:
Base-Base interactions energy: -132.542
where: short stacking energy: -105.118
Base-Backbone interact. energy: -1.254
local terms energy: -319.096542
where:
bonds (distance) C4'-P energy: -97.593
bonds (distance) P-C4' energy: -116.822
flat angles C4'-P-C4' energy: -84.748
flat angles P-C4'-P energy: -55.824
tors. eta vs tors. theta energy: 35.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2050.923696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.923696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.923696 (E_RNA)
where:
Base-Base interactions energy: -1406.297
where: short stacking energy: -606.052
Base-Backbone interact. energy: -2.702
local terms energy: -641.924118
where:
bonds (distance) C4'-P energy: -115.356
bonds (distance) P-C4' energy: -130.892
flat angles C4'-P-C4' energy: -142.608
flat angles P-C4'-P energy: -88.597
tors. eta vs tors. theta energy: -164.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1999.449429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.449429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.449429 (E_RNA)
where:
Base-Base interactions energy: -1364.939
where: short stacking energy: -568.838
Base-Backbone interact. energy: 0.428
local terms energy: -634.938623
where:
bonds (distance) C4'-P energy: -104.207
bonds (distance) P-C4' energy: -123.279
flat angles C4'-P-C4' energy: -136.799
flat angles P-C4'-P energy: -96.619
tors. eta vs tors. theta energy: -174.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1902.117707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.117707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.117707 (E_RNA)
where:
Base-Base interactions energy: -1286.739
where: short stacking energy: -538.089
Base-Backbone interact. energy: -2.135
local terms energy: -613.242751
where:
bonds (distance) C4'-P energy: -132.907
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -123.264
flat angles P-C4'-P energy: -93.013
tors. eta vs tors. theta energy: -151.143
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: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1738.251698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.251698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.251698 (E_RNA)
where:
Base-Base interactions energy: -1147.711
where: short stacking energy: -517.352
Base-Backbone interact. energy: -0.928
local terms energy: -589.612890
where:
bonds (distance) C4'-P energy: -112.914
bonds (distance) P-C4' energy: -114.304
flat angles C4'-P-C4' energy: -131.577
flat angles P-C4'-P energy: -84.711
tors. eta vs tors. theta energy: -146.107
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1643.850993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.850993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.850993 (E_RNA)
where:
Base-Base interactions energy: -1083.241
where: short stacking energy: -486.455
Base-Backbone interact. energy: 0.068
local terms energy: -560.678524
where:
bonds (distance) C4'-P energy: -111.491
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -111.854
flat angles P-C4'-P energy: -80.300
tors. eta vs tors. theta energy: -138.391
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: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1385.024907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.024907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.024907 (E_RNA)
where:
Base-Base interactions energy: -873.307
where: short stacking energy: -388.468
Base-Backbone interact. energy: -4.271
local terms energy: -507.447594
where:
bonds (distance) C4'-P energy: -104.565
bonds (distance) P-C4' energy: -122.659
flat angles C4'-P-C4' energy: -113.513
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -95.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1413.171071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.171071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.171071 (E_RNA)
where:
Base-Base interactions energy: -901.099
where: short stacking energy: -416.539
Base-Backbone interact. energy: -2.962
local terms energy: -509.109822
where:
bonds (distance) C4'-P energy: -83.649
bonds (distance) P-C4' energy: -107.547
flat angles C4'-P-C4' energy: -131.270
flat angles P-C4'-P energy: -72.008
tors. eta vs tors. theta energy: -114.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -880.887009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.887009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.887009 (E_RNA)
where:
Base-Base interactions energy: -496.808
where: short stacking energy: -254.079
Base-Backbone interact. energy: -3.995
local terms energy: -380.084012
where:
bonds (distance) C4'-P energy: -111.378
bonds (distance) P-C4' energy: -99.436
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -756.845353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.845353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.845353 (E_RNA)
where:
Base-Base interactions energy: -377.804
where: short stacking energy: -215.896
Base-Backbone interact. energy: -2.389
local terms energy: -376.652566
where:
bonds (distance) C4'-P energy: -108.052
bonds (distance) P-C4' energy: -98.765
flat angles C4'-P-C4' energy: -100.883
flat angles P-C4'-P energy: -54.112
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -492.797493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.797493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.797493 (E_RNA)
where:
Base-Base interactions energy: -184.695
where: short stacking energy: -118.306
Base-Backbone interact. energy: -3.452
local terms energy: -304.650370
where:
bonds (distance) C4'-P energy: -97.719
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -88.679
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: 27.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2039.599743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.599743 (E_RNA)
where:
Base-Base interactions energy: -1397.027
where: short stacking energy: -582.729
Base-Backbone interact. energy: -1.593
local terms energy: -640.979812
where:
bonds (distance) C4'-P energy: -118.687
bonds (distance) P-C4' energy: -117.361
flat angles C4'-P-C4' energy: -143.367
flat angles P-C4'-P energy: -92.403
tors. eta vs tors. theta energy: -169.162
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: 185
Temperature: 0.950000
Total energy: -1975.808811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.808811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.808811 (E_RNA)
where:
Base-Base interactions energy: -1370.418
where: short stacking energy: -538.472
Base-Backbone interact. energy: -1.262
local terms energy: -604.128957
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -108.559
flat angles C4'-P-C4' energy: -125.735
flat angles P-C4'-P energy: -88.884
tors. eta vs tors. theta energy: -165.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1895.583486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.583486 (E_RNA)
where:
Base-Base interactions energy: -1307.067
where: short stacking energy: -540.114
Base-Backbone interact. energy: 0.624
local terms energy: -589.140739
where:
bonds (distance) C4'-P energy: -121.879
bonds (distance) P-C4' energy: -110.555
flat angles C4'-P-C4' energy: -121.161
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -144.979
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: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1768.819412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.819412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.819412 (E_RNA)
where:
Base-Base interactions energy: -1182.544
where: short stacking energy: -500.086
Base-Backbone interact. energy: -0.595
local terms energy: -585.680478
where:
bonds (distance) C4'-P energy: -118.264
bonds (distance) P-C4' energy: -119.668
flat angles C4'-P-C4' energy: -122.603
flat angles P-C4'-P energy: -82.578
tors. eta vs tors. theta energy: -142.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1626.528844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.528844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.528844 (E_RNA)
where:
Base-Base interactions energy: -1062.109
where: short stacking energy: -453.636
Base-Backbone interact. energy: -2.994
local terms energy: -561.424946
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -118.406
flat angles C4'-P-C4' energy: -120.617
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -136.327
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: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1441.459891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.459891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.459891 (E_RNA)
where:
Base-Base interactions energy: -924.105
where: short stacking energy: -395.471
Base-Backbone interact. energy: -0.025
local terms energy: -517.330355
where:
bonds (distance) C4'-P energy: -98.973
bonds (distance) P-C4' energy: -97.323
flat angles C4'-P-C4' energy: -130.079
flat angles P-C4'-P energy: -66.279
tors. eta vs tors. theta energy: -124.677
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: 185
Temperature: 1.200000
Total energy: -1305.875847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.875847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.875847 (E_RNA)
where:
Base-Base interactions energy: -874.143
where: short stacking energy: -383.719
Base-Backbone interact. energy: -0.535
local terms energy: -431.197705
where:
bonds (distance) C4'-P energy: -74.190
bonds (distance) P-C4' energy: -92.986
flat angles C4'-P-C4' energy: -112.536
flat angles P-C4'-P energy: -57.972
tors. eta vs tors. theta energy: -93.514
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -913.176060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.176060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.176060 (E_RNA)
where:
Base-Base interactions energy: -505.111
where: short stacking energy: -212.777
Base-Backbone interact. energy: -2.131
local terms energy: -405.933526
where:
bonds (distance) C4'-P energy: -107.392
bonds (distance) P-C4' energy: -108.878
flat angles C4'-P-C4' energy: -97.122
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -34.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -793.949448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.949448 (E_RNA)
where:
Base-Base interactions energy: -421.701
where: short stacking energy: -230.408
Base-Backbone interact. energy: 1.143
local terms energy: -373.390862
where:
bonds (distance) C4'-P energy: -96.534
bonds (distance) P-C4' energy: -113.591
flat angles C4'-P-C4' energy: -102.040
flat angles P-C4'-P energy: -52.158
tors. eta vs tors. theta energy: -9.067
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -470.570420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.570420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.570420 (E_RNA)
where:
Base-Base interactions energy: -157.064
where: short stacking energy: -109.740
Base-Backbone interact. energy: 0.272
local terms energy: -313.777788
where:
bonds (distance) C4'-P energy: -80.946
bonds (distance) P-C4' energy: -106.837
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -58.507
tors. eta vs tors. theta energy: 28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2061.623441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.623441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.623441 (E_RNA)
where:
Base-Base interactions energy: -1402.681
where: short stacking energy: -613.688
Base-Backbone interact. energy: -3.115
local terms energy: -655.827436
where:
bonds (distance) C4'-P energy: -118.306
bonds (distance) P-C4' energy: -124.462
flat angles C4'-P-C4' energy: -136.879
flat angles P-C4'-P energy: -94.563
tors. eta vs tors. theta energy: -181.616
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: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2017.009493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.009493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.009493 (E_RNA)
where:
Base-Base interactions energy: -1385.364
where: short stacking energy: -555.937
Base-Backbone interact. energy: 6.757
local terms energy: -638.402475
where:
bonds (distance) C4'-P energy: -126.606
bonds (distance) P-C4' energy: -122.523
flat angles C4'-P-C4' energy: -130.722
flat angles P-C4'-P energy: -89.259
tors. eta vs tors. theta energy: -169.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1941.909187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.909187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.909187 (E_RNA)
where:
Base-Base interactions energy: -1330.960
where: short stacking energy: -570.606
Base-Backbone interact. energy: -2.327
local terms energy: -608.621898
where:
bonds (distance) C4'-P energy: -113.942
bonds (distance) P-C4' energy: -114.316
flat angles C4'-P-C4' energy: -141.973
flat angles P-C4'-P energy: -80.494
tors. eta vs tors. theta energy: -157.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1778.437742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.437742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.437742 (E_RNA)
where:
Base-Base interactions energy: -1214.846
where: short stacking energy: -521.446
Base-Backbone interact. energy: -1.666
local terms energy: -561.924865
where:
bonds (distance) C4'-P energy: -107.629
bonds (distance) P-C4' energy: -99.568
flat angles C4'-P-C4' energy: -134.483
flat angles P-C4'-P energy: -71.979
tors. eta vs tors. theta energy: -148.265
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1641.465959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.465959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.465959 (E_RNA)
where:
Base-Base interactions energy: -1109.813
where: short stacking energy: -487.264
Base-Backbone interact. energy: -1.098
local terms energy: -530.554346
where:
bonds (distance) C4'-P energy: -100.752
bonds (distance) P-C4' energy: -108.985
flat angles C4'-P-C4' energy: -115.827
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -135.311
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: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1458.267310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.267310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.267310 (E_RNA)
where:
Base-Base interactions energy: -956.794
where: short stacking energy: -408.344
Base-Backbone interact. energy: 0.120
local terms energy: -501.593498
where:
bonds (distance) C4'-P energy: -89.313
bonds (distance) P-C4' energy: -104.299
flat angles C4'-P-C4' energy: -106.808
flat angles P-C4'-P energy: -82.038
tors. eta vs tors. theta energy: -119.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1285.794568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.794568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.794568 (E_RNA)
where:
Base-Base interactions energy: -831.227
where: short stacking energy: -381.575
Base-Backbone interact. energy: 2.732
local terms energy: -457.299517
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -99.997
flat angles C4'-P-C4' energy: -112.586
flat angles P-C4'-P energy: -65.820
tors. eta vs tors. theta energy: -93.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -929.853010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.853010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.853010 (E_RNA)
where:
Base-Base interactions energy: -552.235
where: short stacking energy: -249.280
Base-Backbone interact. energy: -2.290
local terms energy: -375.327721
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -89.921
flat angles C4'-P-C4' energy: -89.202
flat angles P-C4'-P energy: -80.110
tors. eta vs tors. theta energy: -35.009
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: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -704.204610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.204610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.204610 (E_RNA)
where:
Base-Base interactions energy: -360.234
where: short stacking energy: -193.663
Base-Backbone interact. energy: -0.959
local terms energy: -343.011381
where:
bonds (distance) C4'-P energy: -90.277
bonds (distance) P-C4' energy: -83.783
flat angles C4'-P-C4' energy: -85.907
flat angles P-C4'-P energy: -74.598
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: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -500.423395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.423395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.423395 (E_RNA)
where:
Base-Base interactions energy: -203.375
where: short stacking energy: -140.057
Base-Backbone interact. energy: -4.144
local terms energy: -292.904233
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -75.872
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: 8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2062.715369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.715369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.715369 (E_RNA)
where:
Base-Base interactions energy: -1385.548
where: short stacking energy: -587.871
Base-Backbone interact. energy: -0.740
local terms energy: -676.427394
where:
bonds (distance) C4'-P energy: -133.274
bonds (distance) P-C4' energy: -142.250
flat angles C4'-P-C4' energy: -134.364
flat angles P-C4'-P energy: -87.845
tors. eta vs tors. theta energy: -178.693
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: 187
Temperature: 0.950000
Total energy: -2009.707410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.707410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.707410 (E_RNA)
where:
Base-Base interactions energy: -1389.860
where: short stacking energy: -545.279
Base-Backbone interact. energy: -2.832
local terms energy: -617.015779
where:
bonds (distance) C4'-P energy: -126.433
bonds (distance) P-C4' energy: -123.865
flat angles C4'-P-C4' energy: -124.035
flat angles P-C4'-P energy: -81.876
tors. eta vs tors. theta energy: -160.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1949.834790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.834790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.834790 (E_RNA)
where:
Base-Base interactions energy: -1357.257
where: short stacking energy: -560.756
Base-Backbone interact. energy: -2.208
local terms energy: -590.370465
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -109.536
flat angles C4'-P-C4' energy: -125.600
flat angles P-C4'-P energy: -79.379
tors. eta vs tors. theta energy: -167.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1732.239253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.239253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.239253 (E_RNA)
where:
Base-Base interactions energy: -1174.129
where: short stacking energy: -501.817
Base-Backbone interact. energy: -1.619
local terms energy: -556.491585
where:
bonds (distance) C4'-P energy: -108.544
bonds (distance) P-C4' energy: -130.196
flat angles C4'-P-C4' energy: -111.550
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -139.219
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1696.099152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.099152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.099152 (E_RNA)
where:
Base-Base interactions energy: -1106.245
where: short stacking energy: -502.432
Base-Backbone interact. energy: -0.425
local terms energy: -589.429193
where:
bonds (distance) C4'-P energy: -110.312
bonds (distance) P-C4' energy: -119.472
flat angles C4'-P-C4' energy: -129.611
flat angles P-C4'-P energy: -86.606
tors. eta vs tors. theta energy: -143.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1479.450896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.450896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.450896 (E_RNA)
where:
Base-Base interactions energy: -981.260
where: short stacking energy: -438.804
Base-Backbone interact. energy: -1.638
local terms energy: -496.553273
where:
bonds (distance) C4'-P energy: -114.144
bonds (distance) P-C4' energy: -93.119
flat angles C4'-P-C4' energy: -107.244
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -116.832
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1223.416606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.416606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.416606 (E_RNA)
where:
Base-Base interactions energy: -757.478
where: short stacking energy: -351.429
Base-Backbone interact. energy: 1.873
local terms energy: -467.811530
where:
bonds (distance) C4'-P energy: -104.646
bonds (distance) P-C4' energy: -106.111
flat angles C4'-P-C4' energy: -102.989
flat angles P-C4'-P energy: -71.059
tors. eta vs tors. theta energy: -83.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1005.861041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.861041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.861041 (E_RNA)
where:
Base-Base interactions energy: -591.033
where: short stacking energy: -268.786
Base-Backbone interact. energy: 0.468
local terms energy: -415.296516
where:
bonds (distance) C4'-P energy: -115.406
bonds (distance) P-C4' energy: -88.760
flat angles C4'-P-C4' energy: -103.064
flat angles P-C4'-P energy: -57.087
tors. eta vs tors. theta energy: -50.979
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -705.475012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.475012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.475012 (E_RNA)
where:
Base-Base interactions energy: -350.964
where: short stacking energy: -181.932
Base-Backbone interact. energy: 2.278
local terms energy: -356.788489
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -94.032
flat angles C4'-P-C4' energy: -83.758
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -493.003237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.003237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.003237 (E_RNA)
where:
Base-Base interactions energy: -212.777
where: short stacking energy: -135.678
Base-Backbone interact. energy: -1.264
local terms energy: -278.962275
where:
bonds (distance) C4'-P energy: -91.144
bonds (distance) P-C4' energy: -88.587
flat angles C4'-P-C4' energy: -88.528
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: 24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2053.193788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.193788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.193788 (E_RNA)
where:
Base-Base interactions energy: -1380.402
where: short stacking energy: -590.277
Base-Backbone interact. energy: -3.217
local terms energy: -669.574810
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -126.097
flat angles C4'-P-C4' energy: -146.000
flat angles P-C4'-P energy: -103.130
tors. eta vs tors. theta energy: -178.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2018.511802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.511802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.511802 (E_RNA)
where:
Base-Base interactions energy: -1401.203
where: short stacking energy: -565.420
Base-Backbone interact. energy: 1.829
local terms energy: -619.138412
where:
bonds (distance) C4'-P energy: -116.731
bonds (distance) P-C4' energy: -117.331
flat angles C4'-P-C4' energy: -141.051
flat angles P-C4'-P energy: -78.227
tors. eta vs tors. theta energy: -165.799
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: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1997.992180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.992180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.992180 (E_RNA)
where:
Base-Base interactions energy: -1367.853
where: short stacking energy: -594.247
Base-Backbone interact. energy: -7.866
local terms energy: -622.273740
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -128.672
flat angles C4'-P-C4' energy: -136.732
flat angles P-C4'-P energy: -86.376
tors. eta vs tors. theta energy: -168.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1792.660918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.660918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.660918 (E_RNA)
where:
Base-Base interactions energy: -1221.704
where: short stacking energy: -541.566
Base-Backbone interact. energy: -5.246
local terms energy: -565.711076
where:
bonds (distance) C4'-P energy: -108.088
bonds (distance) P-C4' energy: -101.024
flat angles C4'-P-C4' energy: -126.524
flat angles P-C4'-P energy: -92.770
tors. eta vs tors. theta energy: -137.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1629.235318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.235318 (E_RNA)
where:
Base-Base interactions energy: -1088.539
where: short stacking energy: -444.695
Base-Backbone interact. energy: 4.903
local terms energy: -545.599405
where:
bonds (distance) C4'-P energy: -119.686
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -121.468
flat angles P-C4'-P energy: -71.504
tors. eta vs tors. theta energy: -132.879
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: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1459.614561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.614561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.614561 (E_RNA)
where:
Base-Base interactions energy: -935.244
where: short stacking energy: -415.004
Base-Backbone interact. energy: -2.568
local terms energy: -521.802577
where:
bonds (distance) C4'-P energy: -114.042
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -110.678
flat angles P-C4'-P energy: -61.756
tors. eta vs tors. theta energy: -135.714
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: 188
Temperature: 1.200000
Total energy: -1261.471338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.471338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.471338 (E_RNA)
where:
Base-Base interactions energy: -767.169
where: short stacking energy: -366.487
Base-Backbone interact. energy: -1.180
local terms energy: -493.122443
where:
bonds (distance) C4'-P energy: -100.173
bonds (distance) P-C4' energy: -125.833
flat angles C4'-P-C4' energy: -109.147
flat angles P-C4'-P energy: -74.383
tors. eta vs tors. theta energy: -83.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -951.579677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.579677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.579677 (E_RNA)
where:
Base-Base interactions energy: -583.235
where: short stacking energy: -257.316
Base-Backbone interact. energy: -0.176
local terms energy: -368.168900
where:
bonds (distance) C4'-P energy: -113.893
bonds (distance) P-C4' energy: -95.751
flat angles C4'-P-C4' energy: -91.134
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -25.915
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: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -680.812407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.812407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.812407 (E_RNA)
where:
Base-Base interactions energy: -330.495
where: short stacking energy: -195.620
Base-Backbone interact. energy: 1.091
local terms energy: -351.407988
where:
bonds (distance) C4'-P energy: -81.998
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -94.178
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -476.782100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.782100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.782100 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -131.500
Base-Backbone interact. energy: 0.784
local terms energy: -304.631170
where:
bonds (distance) C4'-P energy: -89.615
bonds (distance) P-C4' energy: -99.876
flat angles C4'-P-C4' energy: -80.185
flat angles P-C4'-P energy: -56.359
tors. eta vs tors. theta energy: 21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2047.201687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.201687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.201687 (E_RNA)
where:
Base-Base interactions energy: -1415.159
where: short stacking energy: -593.949
Base-Backbone interact. energy: -0.814
local terms energy: -631.228205
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -106.299
flat angles C4'-P-C4' energy: -134.029
flat angles P-C4'-P energy: -87.229
tors. eta vs tors. theta energy: -181.541
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1989.702765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.702765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.702765 (E_RNA)
where:
Base-Base interactions energy: -1351.111
where: short stacking energy: -562.895
Base-Backbone interact. energy: -4.137
local terms energy: -634.455203
where:
bonds (distance) C4'-P energy: -117.799
bonds (distance) P-C4' energy: -125.555
flat angles C4'-P-C4' energy: -139.122
flat angles P-C4'-P energy: -84.250
tors. eta vs tors. theta energy: -167.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1963.848087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.848087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.848087 (E_RNA)
where:
Base-Base interactions energy: -1336.830
where: short stacking energy: -552.298
Base-Backbone interact. energy: 4.547
local terms energy: -631.565340
where:
bonds (distance) C4'-P energy: -110.598
bonds (distance) P-C4' energy: -131.574
flat angles C4'-P-C4' energy: -139.443
flat angles P-C4'-P energy: -81.931
tors. eta vs tors. theta energy: -168.019
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1841.949299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.949299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.949299 (E_RNA)
where:
Base-Base interactions energy: -1252.705
where: short stacking energy: -531.371
Base-Backbone interact. energy: -0.281
local terms energy: -588.963389
where:
bonds (distance) C4'-P energy: -111.351
bonds (distance) P-C4' energy: -118.379
flat angles C4'-P-C4' energy: -125.989
flat angles P-C4'-P energy: -80.980
tors. eta vs tors. theta energy: -152.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1636.700839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.700839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.700839 (E_RNA)
where:
Base-Base interactions energy: -1069.656
where: short stacking energy: -469.667
Base-Backbone interact. energy: 1.808
local terms energy: -568.852560
where:
bonds (distance) C4'-P energy: -118.170
bonds (distance) P-C4' energy: -115.449
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -83.278
tors. eta vs tors. theta energy: -131.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1458.603615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.603615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.603615 (E_RNA)
where:
Base-Base interactions energy: -930.335
where: short stacking energy: -427.286
Base-Backbone interact. energy: 0.951
local terms energy: -529.220459
where:
bonds (distance) C4'-P energy: -114.754
bonds (distance) P-C4' energy: -106.147
flat angles C4'-P-C4' energy: -116.601
flat angles P-C4'-P energy: -78.657
tors. eta vs tors. theta energy: -113.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1304.451021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.451021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.451021 (E_RNA)
where:
Base-Base interactions energy: -841.151
where: short stacking energy: -382.682
Base-Backbone interact. energy: -2.671
local terms energy: -460.629036
where:
bonds (distance) C4'-P energy: -98.475
bonds (distance) P-C4' energy: -94.239
flat angles C4'-P-C4' energy: -106.046
flat angles P-C4'-P energy: -68.114
tors. eta vs tors. theta energy: -93.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -952.079800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.079800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.079800 (E_RNA)
where:
Base-Base interactions energy: -557.744
where: short stacking energy: -238.089
Base-Backbone interact. energy: 1.982
local terms energy: -396.317472
where:
bonds (distance) C4'-P energy: -109.038
bonds (distance) P-C4' energy: -109.376
flat angles C4'-P-C4' energy: -94.391
flat angles P-C4'-P energy: -55.424
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -682.592135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.592135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.592135 (E_RNA)
where:
Base-Base interactions energy: -313.678
where: short stacking energy: -176.004
Base-Backbone interact. energy: -1.736
local terms energy: -367.178715
where:
bonds (distance) C4'-P energy: -116.618
bonds (distance) P-C4' energy: -87.073
flat angles C4'-P-C4' energy: -96.560
flat angles P-C4'-P energy: -69.292
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -454.673678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.673678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.673678 (E_RNA)
where:
Base-Base interactions energy: -159.533
where: short stacking energy: -128.116
Base-Backbone interact. energy: -0.786
local terms energy: -294.354590
where:
bonds (distance) C4'-P energy: -88.542
bonds (distance) P-C4' energy: -85.576
flat angles C4'-P-C4' energy: -75.556
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: 1.605
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: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2070.018942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.018942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.018942 (E_RNA)
where:
Base-Base interactions energy: -1400.422
where: short stacking energy: -596.693
Base-Backbone interact. energy: -0.984
local terms energy: -668.613197
where:
bonds (distance) C4'-P energy: -111.369
bonds (distance) P-C4' energy: -129.024
flat angles C4'-P-C4' energy: -141.483
flat angles P-C4'-P energy: -102.520
tors. eta vs tors. theta energy: -184.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2006.739538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.739538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.739538 (E_RNA)
where:
Base-Base interactions energy: -1361.546
where: short stacking energy: -569.785
Base-Backbone interact. energy: -2.189
local terms energy: -643.003584
where:
bonds (distance) C4'-P energy: -122.963
bonds (distance) P-C4' energy: -119.671
flat angles C4'-P-C4' energy: -133.583
flat angles P-C4'-P energy: -93.941
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: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1954.183146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.183146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.183146 (E_RNA)
where:
Base-Base interactions energy: -1335.286
where: short stacking energy: -517.645
Base-Backbone interact. energy: -3.112
local terms energy: -615.785831
where:
bonds (distance) C4'-P energy: -130.783
bonds (distance) P-C4' energy: -110.119
flat angles C4'-P-C4' energy: -132.948
flat angles P-C4'-P energy: -85.428
tors. eta vs tors. theta energy: -156.508
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1784.688981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.688981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.688981 (E_RNA)
where:
Base-Base interactions energy: -1206.522
where: short stacking energy: -506.339
Base-Backbone interact. energy: 2.850
local terms energy: -581.016329
where:
bonds (distance) C4'-P energy: -119.262
bonds (distance) P-C4' energy: -119.315
flat angles C4'-P-C4' energy: -120.060
flat angles P-C4'-P energy: -78.520
tors. eta vs tors. theta energy: -143.858
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: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1608.466012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.466012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.466012 (E_RNA)
where:
Base-Base interactions energy: -1071.969
where: short stacking energy: -465.910
Base-Backbone interact. energy: -1.348
local terms energy: -535.149439
where:
bonds (distance) C4'-P energy: -113.388
bonds (distance) P-C4' energy: -101.517
flat angles C4'-P-C4' energy: -116.431
flat angles P-C4'-P energy: -67.502
tors. eta vs tors. theta energy: -136.311
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: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1485.602228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.602228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.602228 (E_RNA)
where:
Base-Base interactions energy: -963.594
where: short stacking energy: -431.373
Base-Backbone interact. energy: -1.242
local terms energy: -520.766166
where:
bonds (distance) C4'-P energy: -95.748
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -120.333
flat angles P-C4'-P energy: -74.983
tors. eta vs tors. theta energy: -116.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1301.882293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.882293 (E_RNA)
where:
Base-Base interactions energy: -834.513
where: short stacking energy: -380.085
Base-Backbone interact. energy: -0.182
local terms energy: -467.187170
where:
bonds (distance) C4'-P energy: -87.428
bonds (distance) P-C4' energy: -108.059
flat angles C4'-P-C4' energy: -107.401
flat angles P-C4'-P energy: -70.884
tors. eta vs tors. theta energy: -93.415
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -960.761429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.761429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.761429 (E_RNA)
where:
Base-Base interactions energy: -561.168
where: short stacking energy: -263.740
Base-Backbone interact. energy: -2.221
local terms energy: -397.372928
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -112.070
flat angles C4'-P-C4' energy: -98.968
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: -25.587
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -744.961235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.961235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.961235 (E_RNA)
where:
Base-Base interactions energy: -417.805
where: short stacking energy: -203.464
Base-Backbone interact. energy: 1.310
local terms energy: -328.465391
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -115.942
flat angles C4'-P-C4' energy: -95.979
flat angles P-C4'-P energy: -46.186
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -453.212698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.212698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.212698 (E_RNA)
where:
Base-Base interactions energy: -169.607
where: short stacking energy: -113.610
Base-Backbone interact. energy: 3.259
local terms energy: -286.865071
where:
bonds (distance) C4'-P energy: -95.913
bonds (distance) P-C4' energy: -105.873
flat angles C4'-P-C4' energy: -78.305
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: 37.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2040.509006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.509006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.509006 (E_RNA)
where:
Base-Base interactions energy: -1387.945
where: short stacking energy: -593.758
Base-Backbone interact. energy: 1.324
local terms energy: -653.888446
where:
bonds (distance) C4'-P energy: -107.635
bonds (distance) P-C4' energy: -131.277
flat angles C4'-P-C4' energy: -137.241
flat angles P-C4'-P energy: -92.813
tors. eta vs tors. theta energy: -184.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2009.416527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.416527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.416527 (E_RNA)
where:
Base-Base interactions energy: -1372.577
where: short stacking energy: -585.924
Base-Backbone interact. energy: -1.670
local terms energy: -635.170132
where:
bonds (distance) C4'-P energy: -110.272
bonds (distance) P-C4' energy: -121.857
flat angles C4'-P-C4' energy: -142.182
flat angles P-C4'-P energy: -92.250
tors. eta vs tors. theta energy: -168.609
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1978.778283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.778283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.778283 (E_RNA)
where:
Base-Base interactions energy: -1348.359
where: short stacking energy: -541.985
Base-Backbone interact. energy: 1.001
local terms energy: -631.419988
where:
bonds (distance) C4'-P energy: -113.930
bonds (distance) P-C4' energy: -117.787
flat angles C4'-P-C4' energy: -143.713
flat angles P-C4'-P energy: -92.191
tors. eta vs tors. theta energy: -163.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1753.119162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.119162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.119162 (E_RNA)
where:
Base-Base interactions energy: -1175.982
where: short stacking energy: -516.309
Base-Backbone interact. energy: -2.350
local terms energy: -574.787637
where:
bonds (distance) C4'-P energy: -127.942
bonds (distance) P-C4' energy: -116.638
flat angles C4'-P-C4' energy: -109.717
flat angles P-C4'-P energy: -87.052
tors. eta vs tors. theta energy: -133.439
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1678.606266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.606266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.606266 (E_RNA)
where:
Base-Base interactions energy: -1135.086
where: short stacking energy: -481.570
Base-Backbone interact. energy: 1.025
local terms energy: -544.545352
where:
bonds (distance) C4'-P energy: -105.986
bonds (distance) P-C4' energy: -112.019
flat angles C4'-P-C4' energy: -119.078
flat angles P-C4'-P energy: -63.687
tors. eta vs tors. theta energy: -143.776
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1439.779871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.779871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.779871 (E_RNA)
where:
Base-Base interactions energy: -906.301
where: short stacking energy: -412.394
Base-Backbone interact. energy: -1.173
local terms energy: -532.305669
where:
bonds (distance) C4'-P energy: -94.117
bonds (distance) P-C4' energy: -122.107
flat angles C4'-P-C4' energy: -117.925
flat angles P-C4'-P energy: -80.325
tors. eta vs tors. theta energy: -117.832
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1289.136640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.136640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.136640 (E_RNA)
where:
Base-Base interactions energy: -810.371
where: short stacking energy: -365.666
Base-Backbone interact. energy: -0.699
local terms energy: -478.066405
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -106.342
flat angles C4'-P-C4' energy: -101.537
flat angles P-C4'-P energy: -78.065
tors. eta vs tors. theta energy: -81.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -967.450185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.450185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.450185 (E_RNA)
where:
Base-Base interactions energy: -587.768
where: short stacking energy: -258.899
Base-Backbone interact. energy: -3.695
local terms energy: -375.986707
where:
bonds (distance) C4'-P energy: -93.746
bonds (distance) P-C4' energy: -100.112
flat angles C4'-P-C4' energy: -100.395
flat angles P-C4'-P energy: -57.500
tors. eta vs tors. theta energy: -24.234
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: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -739.044898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.044898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.044898 (E_RNA)
where:
Base-Base interactions energy: -358.451
where: short stacking energy: -210.966
Base-Backbone interact. energy: 0.427
local terms energy: -381.020369
where:
bonds (distance) C4'-P energy: -99.751
bonds (distance) P-C4' energy: -112.136
flat angles C4'-P-C4' energy: -107.010
flat angles P-C4'-P energy: -56.179
tors. eta vs tors. theta energy: -5.945
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -500.990059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.990059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.990059 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -134.171
Base-Backbone interact. energy: 6.352
local terms energy: -350.644435
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -100.200
flat angles C4'-P-C4' energy: -90.512
flat angles P-C4'-P energy: -64.228
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2083.884540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.884540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.884540 (E_RNA)
where:
Base-Base interactions energy: -1412.983
where: short stacking energy: -577.348
Base-Backbone interact. energy: -3.092
local terms energy: -667.809727
where:
bonds (distance) C4'-P energy: -133.232
bonds (distance) P-C4' energy: -124.083
flat angles C4'-P-C4' energy: -123.627
flat angles P-C4'-P energy: -89.174
tors. eta vs tors. theta energy: -197.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2004.193586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.193586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.193586 (E_RNA)
where:
Base-Base interactions energy: -1365.157
where: short stacking energy: -571.703
Base-Backbone interact. energy: 2.321
local terms energy: -641.358270
where:
bonds (distance) C4'-P energy: -129.725
bonds (distance) P-C4' energy: -124.008
flat angles C4'-P-C4' energy: -137.071
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -157.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1943.613065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.613065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.613065 (E_RNA)
where:
Base-Base interactions energy: -1342.509
where: short stacking energy: -531.223
Base-Backbone interact. energy: -0.560
local terms energy: -600.544613
where:
bonds (distance) C4'-P energy: -128.153
bonds (distance) P-C4' energy: -116.858
flat angles C4'-P-C4' energy: -123.419
flat angles P-C4'-P energy: -79.222
tors. eta vs tors. theta energy: -152.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1767.768728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.768728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.768728 (E_RNA)
where:
Base-Base interactions energy: -1198.078
where: short stacking energy: -504.148
Base-Backbone interact. energy: -0.467
local terms energy: -569.223963
where:
bonds (distance) C4'-P energy: -113.538
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -124.680
flat angles P-C4'-P energy: -72.528
tors. eta vs tors. theta energy: -141.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1704.822195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.822195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.822195 (E_RNA)
where:
Base-Base interactions energy: -1154.592
where: short stacking energy: -497.868
Base-Backbone interact. energy: -2.235
local terms energy: -547.995097
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -113.950
flat angles C4'-P-C4' energy: -129.881
flat angles P-C4'-P energy: -73.272
tors. eta vs tors. theta energy: -137.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1439.713017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.713017 (E_RNA)
where:
Base-Base interactions energy: -938.301
where: short stacking energy: -446.096
Base-Backbone interact. energy: -1.274
local terms energy: -500.137878
where:
bonds (distance) C4'-P energy: -102.779
bonds (distance) P-C4' energy: -94.530
flat angles C4'-P-C4' energy: -101.789
flat angles P-C4'-P energy: -69.476
tors. eta vs tors. theta energy: -131.564
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: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1266.841487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.841487 (E_RNA)
where:
Base-Base interactions energy: -789.925
where: short stacking energy: -350.732
Base-Backbone interact. energy: 0.060
local terms energy: -476.976350
where:
bonds (distance) C4'-P energy: -110.570
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -112.169
flat angles P-C4'-P energy: -56.298
tors. eta vs tors. theta energy: -89.883
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -952.644609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.644609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.644609 (E_RNA)
where:
Base-Base interactions energy: -557.103
where: short stacking energy: -259.905
Base-Backbone interact. energy: 1.755
local terms energy: -397.296370
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -98.147
flat angles C4'-P-C4' energy: -89.769
flat angles P-C4'-P energy: -65.321
tors. eta vs tors. theta energy: -39.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -666.410974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.410974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.410974 (E_RNA)
where:
Base-Base interactions energy: -339.450
where: short stacking energy: -195.373
Base-Backbone interact. energy: 2.871
local terms energy: -329.832412
where:
bonds (distance) C4'-P energy: -90.814
bonds (distance) P-C4' energy: -107.382
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -48.237
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -475.135301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.135301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.135301 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -131.251
Base-Backbone interact. energy: -0.461
local terms energy: -324.414214
where:
bonds (distance) C4'-P energy: -98.188
bonds (distance) P-C4' energy: -116.414
flat angles C4'-P-C4' energy: -104.414
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: 29.103
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: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2083.712373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.712373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.712373 (E_RNA)
where:
Base-Base interactions energy: -1435.415
where: short stacking energy: -598.639
Base-Backbone interact. energy: -2.201
local terms energy: -646.095958
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -128.030
flat angles C4'-P-C4' energy: -134.927
flat angles P-C4'-P energy: -76.042
tors. eta vs tors. theta energy: -183.719
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: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1988.043285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.043285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.043285 (E_RNA)
where:
Base-Base interactions energy: -1377.571
where: short stacking energy: -581.897
Base-Backbone interact. energy: 0.210
local terms energy: -610.682275
where:
bonds (distance) C4'-P energy: -114.725
bonds (distance) P-C4' energy: -112.297
flat angles C4'-P-C4' energy: -121.928
flat angles P-C4'-P energy: -93.776
tors. eta vs tors. theta energy: -167.956
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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1951.267697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.267697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.267697 (E_RNA)
where:
Base-Base interactions energy: -1353.684
where: short stacking energy: -538.235
Base-Backbone interact. energy: -1.257
local terms energy: -596.326988
where:
bonds (distance) C4'-P energy: -103.949
bonds (distance) P-C4' energy: -113.250
flat angles C4'-P-C4' energy: -126.266
flat angles P-C4'-P energy: -89.589
tors. eta vs tors. theta energy: -163.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1793.359308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.359308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.359308 (E_RNA)
where:
Base-Base interactions energy: -1201.258
where: short stacking energy: -529.235
Base-Backbone interact. energy: -2.878
local terms energy: -589.223203
where:
bonds (distance) C4'-P energy: -116.281
bonds (distance) P-C4' energy: -120.540
flat angles C4'-P-C4' energy: -128.965
flat angles P-C4'-P energy: -66.275
tors. eta vs tors. theta energy: -157.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1640.007336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.007336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.007336 (E_RNA)
where:
Base-Base interactions energy: -1089.994
where: short stacking energy: -484.991
Base-Backbone interact. energy: 0.271
local terms energy: -550.284968
where:
bonds (distance) C4'-P energy: -119.592
bonds (distance) P-C4' energy: -99.300
flat angles C4'-P-C4' energy: -117.462
flat angles P-C4'-P energy: -71.050
tors. eta vs tors. theta energy: -142.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1453.280504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.280504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.280504 (E_RNA)
where:
Base-Base interactions energy: -958.950
where: short stacking energy: -429.020
Base-Backbone interact. energy: -1.761
local terms energy: -492.570117
where:
bonds (distance) C4'-P energy: -92.007
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -111.786
flat angles P-C4'-P energy: -73.816
tors. eta vs tors. theta energy: -108.233
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: 193
Temperature: 1.200000
Total energy: -1338.404337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.404337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.404337 (E_RNA)
where:
Base-Base interactions energy: -841.679
where: short stacking energy: -357.857
Base-Backbone interact. energy: 1.228
local terms energy: -497.952915
where:
bonds (distance) C4'-P energy: -100.680
bonds (distance) P-C4' energy: -123.931
flat angles C4'-P-C4' energy: -112.868
flat angles P-C4'-P energy: -63.207
tors. eta vs tors. theta energy: -97.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -921.490543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.490543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.490543 (E_RNA)
where:
Base-Base interactions energy: -532.464
where: short stacking energy: -265.996
Base-Backbone interact. energy: -3.850
local terms energy: -385.176413
where:
bonds (distance) C4'-P energy: -92.640
bonds (distance) P-C4' energy: -87.033
flat angles C4'-P-C4' energy: -109.534
flat angles P-C4'-P energy: -66.014
tors. eta vs tors. theta energy: -29.956
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: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -656.160444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.160444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.160444 (E_RNA)
where:
Base-Base interactions energy: -300.207
where: short stacking energy: -178.024
Base-Backbone interact. energy: 2.921
local terms energy: -358.874711
where:
bonds (distance) C4'-P energy: -102.996
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -81.571
flat angles P-C4'-P energy: -68.204
tors. eta vs tors. theta energy: 4.622
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -452.867940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.867940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.867940 (E_RNA)
where:
Base-Base interactions energy: -155.945
where: short stacking energy: -115.483
Base-Backbone interact. energy: 0.158
local terms energy: -297.080795
where:
bonds (distance) C4'-P energy: -103.938
bonds (distance) P-C4' energy: -104.096
flat angles C4'-P-C4' energy: -78.481
flat angles P-C4'-P energy: -50.214
tors. eta vs tors. theta energy: 39.649
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: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2078.719997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.719997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.719997 (E_RNA)
where:
Base-Base interactions energy: -1416.810
where: short stacking energy: -595.996
Base-Backbone interact. energy: -2.672
local terms energy: -659.237592
where:
bonds (distance) C4'-P energy: -107.382
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -142.100
flat angles P-C4'-P energy: -97.607
tors. eta vs tors. theta energy: -194.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2005.660205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.660205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.660205 (E_RNA)
where:
Base-Base interactions energy: -1374.102
where: short stacking energy: -574.230
Base-Backbone interact. energy: 0.375
local terms energy: -631.932780
where:
bonds (distance) C4'-P energy: -118.645
bonds (distance) P-C4' energy: -124.451
flat angles C4'-P-C4' energy: -135.455
flat angles P-C4'-P energy: -82.598
tors. eta vs tors. theta energy: -170.784
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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1955.692776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.692776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.692776 (E_RNA)
where:
Base-Base interactions energy: -1321.551
where: short stacking energy: -516.779
Base-Backbone interact. energy: 1.454
local terms energy: -635.596163
where:
bonds (distance) C4'-P energy: -132.453
bonds (distance) P-C4' energy: -110.121
flat angles C4'-P-C4' energy: -131.006
flat angles P-C4'-P energy: -92.292
tors. eta vs tors. theta energy: -169.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1742.478050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.478050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.478050 (E_RNA)
where:
Base-Base interactions energy: -1164.988
where: short stacking energy: -524.188
Base-Backbone interact. energy: -1.428
local terms energy: -576.062377
where:
bonds (distance) C4'-P energy: -107.057
bonds (distance) P-C4' energy: -112.243
flat angles C4'-P-C4' energy: -122.925
flat angles P-C4'-P energy: -83.851
tors. eta vs tors. theta energy: -149.986
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: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1512.356070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.356070 (E_RNA)
where:
Base-Base interactions energy: -967.774
where: short stacking energy: -439.043
Base-Backbone interact. energy: -0.952
local terms energy: -543.629920
where:
bonds (distance) C4'-P energy: -122.793
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -110.077
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -117.445
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1477.004690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.004690 (E_RNA)
where:
Base-Base interactions energy: -980.998
where: short stacking energy: -427.591
Base-Backbone interact. energy: -1.288
local terms energy: -494.718341
where:
bonds (distance) C4'-P energy: -104.032
bonds (distance) P-C4' energy: -102.257
flat angles C4'-P-C4' energy: -113.204
flat angles P-C4'-P energy: -71.371
tors. eta vs tors. theta energy: -103.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1356.842760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.842760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.842760 (E_RNA)
where:
Base-Base interactions energy: -869.077
where: short stacking energy: -362.979
Base-Backbone interact. energy: 4.144
local terms energy: -491.909961
where:
bonds (distance) C4'-P energy: -100.729
bonds (distance) P-C4' energy: -118.936
flat angles C4'-P-C4' energy: -104.936
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -110.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -966.256538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.256538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.256538 (E_RNA)
where:
Base-Base interactions energy: -557.368
where: short stacking energy: -261.691
Base-Backbone interact. energy: 2.454
local terms energy: -411.342833
where:
bonds (distance) C4'-P energy: -111.446
bonds (distance) P-C4' energy: -113.937
flat angles C4'-P-C4' energy: -91.378
flat angles P-C4'-P energy: -50.964
tors. eta vs tors. theta energy: -43.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -695.159318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.159318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.159318 (E_RNA)
where:
Base-Base interactions energy: -373.627
where: short stacking energy: -196.606
Base-Backbone interact. energy: -1.558
local terms energy: -319.974484
where:
bonds (distance) C4'-P energy: -88.047
bonds (distance) P-C4' energy: -93.689
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -49.180
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -484.335769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.335769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.335769 (E_RNA)
where:
Base-Base interactions energy: -182.730
where: short stacking energy: -150.231
Base-Backbone interact. energy: 3.885
local terms energy: -305.490734
where:
bonds (distance) C4'-P energy: -103.994
bonds (distance) P-C4' energy: -93.240
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -47.143
tors. eta vs tors. theta energy: 16.801
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2063.170812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.170812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.170812 (E_RNA)
where:
Base-Base interactions energy: -1394.559
where: short stacking energy: -578.083
Base-Backbone interact. energy: -4.579
local terms energy: -664.033358
where:
bonds (distance) C4'-P energy: -123.273
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -137.816
flat angles P-C4'-P energy: -90.831
tors. eta vs tors. theta energy: -182.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1981.568285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.568285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.568285 (E_RNA)
where:
Base-Base interactions energy: -1340.458
where: short stacking energy: -580.492
Base-Backbone interact. energy: -1.772
local terms energy: -639.338168
where:
bonds (distance) C4'-P energy: -119.509
bonds (distance) P-C4' energy: -109.313
flat angles C4'-P-C4' energy: -151.970
flat angles P-C4'-P energy: -95.624
tors. eta vs tors. theta energy: -162.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1960.107968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.107968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.107968 (E_RNA)
where:
Base-Base interactions energy: -1368.437
where: short stacking energy: -564.318
Base-Backbone interact. energy: -0.134
local terms energy: -591.536247
where:
bonds (distance) C4'-P energy: -86.729
bonds (distance) P-C4' energy: -110.246
flat angles C4'-P-C4' energy: -132.647
flat angles P-C4'-P energy: -93.313
tors. eta vs tors. theta energy: -168.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1781.829778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.829778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.829778 (E_RNA)
where:
Base-Base interactions energy: -1200.212
where: short stacking energy: -541.235
Base-Backbone interact. energy: -2.375
local terms energy: -579.242732
where:
bonds (distance) C4'-P energy: -95.817
bonds (distance) P-C4' energy: -116.741
flat angles C4'-P-C4' energy: -126.642
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -150.798
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1545.155020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.155020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.155020 (E_RNA)
where:
Base-Base interactions energy: -971.457
where: short stacking energy: -445.023
Base-Backbone interact. energy: -0.516
local terms energy: -573.181892
where:
bonds (distance) C4'-P energy: -107.910
bonds (distance) P-C4' energy: -123.691
flat angles C4'-P-C4' energy: -126.881
flat angles P-C4'-P energy: -87.227
tors. eta vs tors. theta energy: -127.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1544.920915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.920915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.920915 (E_RNA)
where:
Base-Base interactions energy: -1020.138
where: short stacking energy: -426.743
Base-Backbone interact. energy: 2.046
local terms energy: -526.829207
where:
bonds (distance) C4'-P energy: -110.909
bonds (distance) P-C4' energy: -105.975
flat angles C4'-P-C4' energy: -103.669
flat angles P-C4'-P energy: -81.043
tors. eta vs tors. theta energy: -125.233
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: 195
Temperature: 1.200000
Total energy: -1405.115068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.115068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.115068 (E_RNA)
where:
Base-Base interactions energy: -916.491
where: short stacking energy: -390.833
Base-Backbone interact. energy: -2.089
local terms energy: -486.535400
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -106.784
flat angles C4'-P-C4' energy: -120.319
flat angles P-C4'-P energy: -76.152
tors. eta vs tors. theta energy: -97.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1000.102503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.102503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.102503 (E_RNA)
where:
Base-Base interactions energy: -590.672
where: short stacking energy: -266.055
Base-Backbone interact. energy: -2.465
local terms energy: -406.965069
where:
bonds (distance) C4'-P energy: -104.566
bonds (distance) P-C4' energy: -121.826
flat angles C4'-P-C4' energy: -97.095
flat angles P-C4'-P energy: -54.770
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: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -716.113525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.113525 (E_RNA)
where:
Base-Base interactions energy: -381.042
where: short stacking energy: -222.333
Base-Backbone interact. energy: 0.943
local terms energy: -336.014068
where:
bonds (distance) C4'-P energy: -81.702
bonds (distance) P-C4' energy: -104.823
flat angles C4'-P-C4' energy: -81.795
flat angles P-C4'-P energy: -42.362
tors. eta vs tors. theta energy: -25.333
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: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -476.045575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.045575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.045575 (E_RNA)
where:
Base-Base interactions energy: -168.705
where: short stacking energy: -164.892
Base-Backbone interact. energy: 2.908
local terms energy: -310.248833
where:
bonds (distance) C4'-P energy: -95.770
bonds (distance) P-C4' energy: -110.351
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -40.089
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2095.331146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.331146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.331146 (E_RNA)
where:
Base-Base interactions energy: -1422.786
where: short stacking energy: -582.711
Base-Backbone interact. energy: -0.935
local terms energy: -671.610006
where:
bonds (distance) C4'-P energy: -123.080
bonds (distance) P-C4' energy: -114.702
flat angles C4'-P-C4' energy: -147.257
flat angles P-C4'-P energy: -98.723
tors. eta vs tors. theta energy: -187.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1990.178124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.178124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.178124 (E_RNA)
where:
Base-Base interactions energy: -1360.650
where: short stacking energy: -561.036
Base-Backbone interact. energy: -1.118
local terms energy: -628.410320
where:
bonds (distance) C4'-P energy: -115.274
bonds (distance) P-C4' energy: -126.214
flat angles C4'-P-C4' energy: -134.823
flat angles P-C4'-P energy: -92.747
tors. eta vs tors. theta energy: -159.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1960.952229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.952229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.952229 (E_RNA)
where:
Base-Base interactions energy: -1335.617
where: short stacking energy: -555.403
Base-Backbone interact. energy: 0.276
local terms energy: -625.610678
where:
bonds (distance) C4'-P energy: -119.727
bonds (distance) P-C4' energy: -118.431
flat angles C4'-P-C4' energy: -130.151
flat angles P-C4'-P energy: -83.651
tors. eta vs tors. theta energy: -173.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1831.922135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.922135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.922135 (E_RNA)
where:
Base-Base interactions energy: -1226.451
where: short stacking energy: -518.117
Base-Backbone interact. energy: -5.105
local terms energy: -600.366145
where:
bonds (distance) C4'-P energy: -112.318
bonds (distance) P-C4' energy: -116.158
flat angles C4'-P-C4' energy: -140.778
flat angles P-C4'-P energy: -76.473
tors. eta vs tors. theta energy: -154.639
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: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1611.382672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.382672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.382672 (E_RNA)
where:
Base-Base interactions energy: -1083.415
where: short stacking energy: -460.098
Base-Backbone interact. energy: -2.186
local terms energy: -525.782323
where:
bonds (distance) C4'-P energy: -101.082
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -121.236
flat angles P-C4'-P energy: -76.573
tors. eta vs tors. theta energy: -121.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1527.941840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.941840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.941840 (E_RNA)
where:
Base-Base interactions energy: -972.816
where: short stacking energy: -430.030
Base-Backbone interact. energy: -1.326
local terms energy: -553.800106
where:
bonds (distance) C4'-P energy: -118.027
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -86.035
tors. eta vs tors. theta energy: -124.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1360.731717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.731717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.731717 (E_RNA)
where:
Base-Base interactions energy: -852.572
where: short stacking energy: -389.440
Base-Backbone interact. energy: -2.368
local terms energy: -505.791494
where:
bonds (distance) C4'-P energy: -102.554
bonds (distance) P-C4' energy: -108.017
flat angles C4'-P-C4' energy: -113.938
flat angles P-C4'-P energy: -72.680
tors. eta vs tors. theta energy: -108.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -939.980071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.980071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.980071 (E_RNA)
where:
Base-Base interactions energy: -552.436
where: short stacking energy: -250.758
Base-Backbone interact. energy: -3.238
local terms energy: -384.306844
where:
bonds (distance) C4'-P energy: -106.821
bonds (distance) P-C4' energy: -107.151
flat angles C4'-P-C4' energy: -81.676
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -34.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -717.916275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.916275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.916275 (E_RNA)
where:
Base-Base interactions energy: -363.135
where: short stacking energy: -209.054
Base-Backbone interact. energy: 1.411
local terms energy: -356.192478
where:
bonds (distance) C4'-P energy: -97.908
bonds (distance) P-C4' energy: -98.154
flat angles C4'-P-C4' energy: -95.435
flat angles P-C4'-P energy: -46.424
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -484.531168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.531168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.531168 (E_RNA)
where:
Base-Base interactions energy: -159.748
where: short stacking energy: -125.290
Base-Backbone interact. energy: 1.060
local terms energy: -325.843254
where:
bonds (distance) C4'-P energy: -100.937
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -84.715
flat angles P-C4'-P energy: -43.652
tors. eta vs tors. theta energy: 7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2115.904856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.904856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.904856 (E_RNA)
where:
Base-Base interactions energy: -1433.144
where: short stacking energy: -594.936
Base-Backbone interact. energy: -1.175
local terms energy: -681.585551
where:
bonds (distance) C4'-P energy: -116.507
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -144.663
flat angles P-C4'-P energy: -108.152
tors. eta vs tors. theta energy: -185.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1984.972370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.972370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.972370 (E_RNA)
where:
Base-Base interactions energy: -1365.222
where: short stacking energy: -574.604
Base-Backbone interact. energy: -2.597
local terms energy: -617.152931
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -141.243
flat angles P-C4'-P energy: -85.343
tors. eta vs tors. theta energy: -161.694
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: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1942.128924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.128924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.128924 (E_RNA)
where:
Base-Base interactions energy: -1365.540
where: short stacking energy: -552.677
Base-Backbone interact. energy: 3.077
local terms energy: -579.666144
where:
bonds (distance) C4'-P energy: -106.514
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -124.860
flat angles P-C4'-P energy: -82.304
tors. eta vs tors. theta energy: -155.325
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1822.080563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.080563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.080563 (E_RNA)
where:
Base-Base interactions energy: -1204.516
where: short stacking energy: -497.206
Base-Backbone interact. energy: -2.816
local terms energy: -614.748893
where:
bonds (distance) C4'-P energy: -125.319
bonds (distance) P-C4' energy: -109.484
flat angles C4'-P-C4' energy: -133.384
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -167.225
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: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1618.329342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.329342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.329342 (E_RNA)
where:
Base-Base interactions energy: -1069.162
where: short stacking energy: -443.570
Base-Backbone interact. energy: -0.674
local terms energy: -548.492809
where:
bonds (distance) C4'-P energy: -125.603
bonds (distance) P-C4' energy: -123.442
flat angles C4'-P-C4' energy: -118.404
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: -120.618
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: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1467.069666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.069666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.069666 (E_RNA)
where:
Base-Base interactions energy: -969.079
where: short stacking energy: -430.898
Base-Backbone interact. energy: 1.897
local terms energy: -499.888284
where:
bonds (distance) C4'-P energy: -103.009
bonds (distance) P-C4' energy: -100.118
flat angles C4'-P-C4' energy: -119.866
flat angles P-C4'-P energy: -59.594
tors. eta vs tors. theta energy: -117.300
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: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1373.111467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.111467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.111467 (E_RNA)
where:
Base-Base interactions energy: -877.218
where: short stacking energy: -406.457
Base-Backbone interact. energy: -1.432
local terms energy: -494.462131
where:
bonds (distance) C4'-P energy: -78.682
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -126.451
flat angles P-C4'-P energy: -74.496
tors. eta vs tors. theta energy: -111.116
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: 197
Temperature: 1.250000
Total energy: -951.291182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.291182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.291182 (E_RNA)
where:
Base-Base interactions energy: -508.770
where: short stacking energy: -243.794
Base-Backbone interact. energy: -2.618
local terms energy: -439.903227
where:
bonds (distance) C4'-P energy: -125.017
bonds (distance) P-C4' energy: -109.827
flat angles C4'-P-C4' energy: -102.980
flat angles P-C4'-P energy: -67.259
tors. eta vs tors. theta energy: -34.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -718.509884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.509884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.509884 (E_RNA)
where:
Base-Base interactions energy: -374.172
where: short stacking energy: -188.972
Base-Backbone interact. energy: -2.175
local terms energy: -342.162130
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -482.200317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.200317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.200317 (E_RNA)
where:
Base-Base interactions energy: -139.773
where: short stacking energy: -119.195
Base-Backbone interact. energy: -1.759
local terms energy: -340.668177
where:
bonds (distance) C4'-P energy: -107.985
bonds (distance) P-C4' energy: -95.836
flat angles C4'-P-C4' energy: -101.496
flat angles P-C4'-P energy: -57.051
tors. eta vs tors. theta energy: 21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2126.269723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.269723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.269723 (E_RNA)
where:
Base-Base interactions energy: -1455.598
where: short stacking energy: -623.307
Base-Backbone interact. energy: -1.076
local terms energy: -669.595711
where:
bonds (distance) C4'-P energy: -124.657
bonds (distance) P-C4' energy: -112.927
flat angles C4'-P-C4' energy: -139.596
flat angles P-C4'-P energy: -105.329
tors. eta vs tors. theta energy: -187.087
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: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1952.153165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.153165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.153165 (E_RNA)
where:
Base-Base interactions energy: -1351.885
where: short stacking energy: -559.360
Base-Backbone interact. energy: -1.061
local terms energy: -599.207893
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -130.562
flat angles C4'-P-C4' energy: -125.228
flat angles P-C4'-P energy: -67.379
tors. eta vs tors. theta energy: -159.944
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1976.707157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.707157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.707157 (E_RNA)
where:
Base-Base interactions energy: -1389.173
where: short stacking energy: -563.378
Base-Backbone interact. energy: -2.231
local terms energy: -585.303628
where:
bonds (distance) C4'-P energy: -105.945
bonds (distance) P-C4' energy: -122.048
flat angles C4'-P-C4' energy: -133.516
flat angles P-C4'-P energy: -75.206
tors. eta vs tors. theta energy: -148.588
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1795.470748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.470748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.470748 (E_RNA)
where:
Base-Base interactions energy: -1226.104
where: short stacking energy: -513.502
Base-Backbone interact. energy: -1.489
local terms energy: -567.877742
where:
bonds (distance) C4'-P energy: -113.433
bonds (distance) P-C4' energy: -98.079
flat angles C4'-P-C4' energy: -121.585
flat angles P-C4'-P energy: -79.001
tors. eta vs tors. theta energy: -155.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1626.435673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.435673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.435673 (E_RNA)
where:
Base-Base interactions energy: -1084.168
where: short stacking energy: -460.066
Base-Backbone interact. energy: -2.208
local terms energy: -540.059730
where:
bonds (distance) C4'-P energy: -103.101
bonds (distance) P-C4' energy: -104.102
flat angles C4'-P-C4' energy: -119.938
flat angles P-C4'-P energy: -77.680
tors. eta vs tors. theta energy: -135.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1462.665315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.665315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.665315 (E_RNA)
where:
Base-Base interactions energy: -949.423
where: short stacking energy: -437.625
Base-Backbone interact. energy: -0.810
local terms energy: -512.432586
where:
bonds (distance) C4'-P energy: -117.229
bonds (distance) P-C4' energy: -104.210
flat angles C4'-P-C4' energy: -106.982
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -116.542
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: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1314.110402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.110402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.110402 (E_RNA)
where:
Base-Base interactions energy: -820.376
where: short stacking energy: -347.983
Base-Backbone interact. energy: -2.773
local terms energy: -490.962053
where:
bonds (distance) C4'-P energy: -103.492
bonds (distance) P-C4' energy: -111.458
flat angles C4'-P-C4' energy: -117.983
flat angles P-C4'-P energy: -78.485
tors. eta vs tors. theta energy: -79.544
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: 198
Temperature: 1.250000
Total energy: -1004.477360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.477360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.477360 (E_RNA)
where:
Base-Base interactions energy: -569.699
where: short stacking energy: -291.851
Base-Backbone interact. energy: -1.268
local terms energy: -433.510071
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -116.241
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -73.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -824.875967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.875967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.875967 (E_RNA)
where:
Base-Base interactions energy: -475.563
where: short stacking energy: -225.507
Base-Backbone interact. energy: 6.220
local terms energy: -355.533617
where:
bonds (distance) C4'-P energy: -95.031
bonds (distance) P-C4' energy: -91.925
flat angles C4'-P-C4' energy: -80.488
flat angles P-C4'-P energy: -55.300
tors. eta vs tors. theta energy: -32.789
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: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -478.285146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.285146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.285146 (E_RNA)
where:
Base-Base interactions energy: -165.460
where: short stacking energy: -124.163
Base-Backbone interact. energy: -2.718
local terms energy: -310.107947
where:
bonds (distance) C4'-P energy: -90.914
bonds (distance) P-C4' energy: -115.078
flat angles C4'-P-C4' energy: -89.690
flat angles P-C4'-P energy: -51.109
tors. eta vs tors. theta energy: 36.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2097.897438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.897438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.897438 (E_RNA)
where:
Base-Base interactions energy: -1412.261
where: short stacking energy: -588.801
Base-Backbone interact. energy: -4.586
local terms energy: -681.050206
where:
bonds (distance) C4'-P energy: -129.058
bonds (distance) P-C4' energy: -123.842
flat angles C4'-P-C4' energy: -139.654
flat angles P-C4'-P energy: -96.528
tors. eta vs tors. theta energy: -191.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1972.557265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.557265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.557265 (E_RNA)
where:
Base-Base interactions energy: -1335.825
where: short stacking energy: -545.835
Base-Backbone interact. energy: -1.926
local terms energy: -634.806684
where:
bonds (distance) C4'-P energy: -110.861
bonds (distance) P-C4' energy: -122.652
flat angles C4'-P-C4' energy: -137.073
flat angles P-C4'-P energy: -91.546
tors. eta vs tors. theta energy: -172.675
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: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1938.624811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.624811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.624811 (E_RNA)
where:
Base-Base interactions energy: -1358.685
where: short stacking energy: -548.388
Base-Backbone interact. energy: 0.790
local terms energy: -580.729848
where:
bonds (distance) C4'-P energy: -110.135
bonds (distance) P-C4' energy: -113.160
flat angles C4'-P-C4' energy: -125.421
flat angles P-C4'-P energy: -86.380
tors. eta vs tors. theta energy: -145.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1841.832155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.832155 (E_RNA)
where:
Base-Base interactions energy: -1256.671
where: short stacking energy: -513.092
Base-Backbone interact. energy: 0.493
local terms energy: -585.653966
where:
bonds (distance) C4'-P energy: -104.565
bonds (distance) P-C4' energy: -112.249
flat angles C4'-P-C4' energy: -129.555
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -160.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1629.791313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.791313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.791313 (E_RNA)
where:
Base-Base interactions energy: -1090.944
where: short stacking energy: -479.169
Base-Backbone interact. energy: -0.753
local terms energy: -538.094453
where:
bonds (distance) C4'-P energy: -99.722
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -123.855
flat angles P-C4'-P energy: -85.850
tors. eta vs tors. theta energy: -124.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1462.791744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.791744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.791744 (E_RNA)
where:
Base-Base interactions energy: -948.257
where: short stacking energy: -420.610
Base-Backbone interact. energy: -3.719
local terms energy: -510.815403
where:
bonds (distance) C4'-P energy: -114.568
bonds (distance) P-C4' energy: -115.557
flat angles C4'-P-C4' energy: -102.929
flat angles P-C4'-P energy: -80.797
tors. eta vs tors. theta energy: -96.965
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: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1338.408731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.408731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.408731 (E_RNA)
where:
Base-Base interactions energy: -825.027
where: short stacking energy: -373.566
Base-Backbone interact. energy: 2.329
local terms energy: -515.711353
where:
bonds (distance) C4'-P energy: -103.508
bonds (distance) P-C4' energy: -126.669
flat angles C4'-P-C4' energy: -109.540
flat angles P-C4'-P energy: -68.197
tors. eta vs tors. theta energy: -107.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -936.256659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.256659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.256659 (E_RNA)
where:
Base-Base interactions energy: -536.197
where: short stacking energy: -265.787
Base-Backbone interact. energy: -1.571
local terms energy: -398.488734
where:
bonds (distance) C4'-P energy: -106.656
bonds (distance) P-C4' energy: -114.411
flat angles C4'-P-C4' energy: -94.652
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -780.521562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.521562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.521562 (E_RNA)
where:
Base-Base interactions energy: -441.872
where: short stacking energy: -225.201
Base-Backbone interact. energy: -1.650
local terms energy: -337.000098
where:
bonds (distance) C4'-P energy: -100.357
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -91.843
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -468.539108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.539108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.539108 (E_RNA)
where:
Base-Base interactions energy: -120.285
where: short stacking energy: -106.424
Base-Backbone interact. energy: 2.562
local terms energy: -350.816726
where:
bonds (distance) C4'-P energy: -109.739
bonds (distance) P-C4' energy: -106.212
flat angles C4'-P-C4' energy: -89.085
flat angles P-C4'-P energy: -57.990
tors. eta vs tors. theta energy: 12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2116.623997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.623997 (E_RNA)
where:
Base-Base interactions energy: -1419.623
where: short stacking energy: -592.734
Base-Backbone interact. energy: -1.742
local terms energy: -695.259160
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -131.034
flat angles C4'-P-C4' energy: -146.161
flat angles P-C4'-P energy: -104.873
tors. eta vs tors. theta energy: -185.464
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1967.388374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.388374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.388374 (E_RNA)
where:
Base-Base interactions energy: -1327.799
where: short stacking energy: -536.605
Base-Backbone interact. energy: -1.636
local terms energy: -637.952956
where:
bonds (distance) C4'-P energy: -126.174
bonds (distance) P-C4' energy: -132.810
flat angles C4'-P-C4' energy: -129.385
flat angles P-C4'-P energy: -87.411
tors. eta vs tors. theta energy: -162.173
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: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1897.062070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.062070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.062070 (E_RNA)
where:
Base-Base interactions energy: -1322.910
where: short stacking energy: -513.763
Base-Backbone interact. energy: -3.319
local terms energy: -570.833431
where:
bonds (distance) C4'-P energy: -123.484
bonds (distance) P-C4' energy: -116.022
flat angles C4'-P-C4' energy: -119.353
flat angles P-C4'-P energy: -77.866
tors. eta vs tors. theta energy: -134.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1828.343466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.343466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.343466 (E_RNA)
where:
Base-Base interactions energy: -1240.358
where: short stacking energy: -529.701
Base-Backbone interact. energy: -2.907
local terms energy: -585.078709
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -109.541
flat angles C4'-P-C4' energy: -136.494
flat angles P-C4'-P energy: -83.688
tors. eta vs tors. theta energy: -153.164
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: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1655.780666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.780666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.780666 (E_RNA)
where:
Base-Base interactions energy: -1114.103
where: short stacking energy: -465.597
Base-Backbone interact. energy: -2.999
local terms energy: -538.678297
where:
bonds (distance) C4'-P energy: -106.319
bonds (distance) P-C4' energy: -118.932
flat angles C4'-P-C4' energy: -97.787
flat angles P-C4'-P energy: -85.691
tors. eta vs tors. theta energy: -129.950
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: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1504.841483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.841483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.841483 (E_RNA)
where:
Base-Base interactions energy: -983.437
where: short stacking energy: -409.744
Base-Backbone interact. energy: 0.007
local terms energy: -521.411985
where:
bonds (distance) C4'-P energy: -101.318
bonds (distance) P-C4' energy: -119.893
flat angles C4'-P-C4' energy: -110.886
flat angles P-C4'-P energy: -83.298
tors. eta vs tors. theta energy: -106.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1321.686801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.686801 (E_RNA)
where:
Base-Base interactions energy: -837.264
where: short stacking energy: -390.905
Base-Backbone interact. energy: 0.741
local terms energy: -485.163682
where:
bonds (distance) C4'-P energy: -103.564
bonds (distance) P-C4' energy: -100.716
flat angles C4'-P-C4' energy: -112.293
flat angles P-C4'-P energy: -68.959
tors. eta vs tors. theta energy: -99.632
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: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -992.418705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.418705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.418705 (E_RNA)
where:
Base-Base interactions energy: -577.086
where: short stacking energy: -294.882
Base-Backbone interact. energy: -3.132
local terms energy: -412.201283
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -98.718
flat angles C4'-P-C4' energy: -86.006
flat angles P-C4'-P energy: -60.099
tors. eta vs tors. theta energy: -57.274
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: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -883.349893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.349893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.349893 (E_RNA)
where:
Base-Base interactions energy: -496.013
where: short stacking energy: -260.296
Base-Backbone interact. energy: 4.511
local terms energy: -391.847540
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -99.297
flat angles C4'-P-C4' energy: -79.826
flat angles P-C4'-P energy: -70.344
tors. eta vs tors. theta energy: -50.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -482.552427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.552427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.552427 (E_RNA)
where:
Base-Base interactions energy: -170.640
where: short stacking energy: -147.143
Base-Backbone interact. energy: -0.527
local terms energy: -311.385624
where:
bonds (distance) C4'-P energy: -89.944
bonds (distance) P-C4' energy: -103.372
flat angles C4'-P-C4' energy: -82.654
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: 17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2126.262167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.262167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.262167 (E_RNA)
where:
Base-Base interactions energy: -1434.904
where: short stacking energy: -595.138
Base-Backbone interact. energy: 2.034
local terms energy: -693.391479
where:
bonds (distance) C4'-P energy: -129.498
bonds (distance) P-C4' energy: -118.822
flat angles C4'-P-C4' energy: -147.126
flat angles P-C4'-P energy: -104.252
tors. eta vs tors. theta energy: -193.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1983.416408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.416408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.416408 (E_RNA)
where:
Base-Base interactions energy: -1340.026
where: short stacking energy: -557.655
Base-Backbone interact. energy: 1.689
local terms energy: -645.079841
where:
bonds (distance) C4'-P energy: -127.525
bonds (distance) P-C4' energy: -108.228
flat angles C4'-P-C4' energy: -138.185
flat angles P-C4'-P energy: -99.042
tors. eta vs tors. theta energy: -172.099
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: 201
Temperature: 1.000000
Total energy: -1915.880220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.880220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.880220 (E_RNA)
where:
Base-Base interactions energy: -1324.204
where: short stacking energy: -532.805
Base-Backbone interact. energy: -4.864
local terms energy: -586.812238
where:
bonds (distance) C4'-P energy: -117.479
bonds (distance) P-C4' energy: -115.983
flat angles C4'-P-C4' energy: -125.011
flat angles P-C4'-P energy: -77.124
tors. eta vs tors. theta energy: -151.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1754.388859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.388859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.388859 (E_RNA)
where:
Base-Base interactions energy: -1182.592
where: short stacking energy: -471.935
Base-Backbone interact. energy: -2.172
local terms energy: -569.625489
where:
bonds (distance) C4'-P energy: -98.591
bonds (distance) P-C4' energy: -119.325
flat angles C4'-P-C4' energy: -130.418
flat angles P-C4'-P energy: -83.320
tors. eta vs tors. theta energy: -137.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1695.307807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.307807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.307807 (E_RNA)
where:
Base-Base interactions energy: -1168.573
where: short stacking energy: -511.992
Base-Backbone interact. energy: 0.847
local terms energy: -527.581604
where:
bonds (distance) C4'-P energy: -91.896
bonds (distance) P-C4' energy: -103.866
flat angles C4'-P-C4' energy: -113.400
flat angles P-C4'-P energy: -70.739
tors. eta vs tors. theta energy: -147.681
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: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1473.277329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.277329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.277329 (E_RNA)
where:
Base-Base interactions energy: -952.872
where: short stacking energy: -406.935
Base-Backbone interact. energy: -3.023
local terms energy: -517.382287
where:
bonds (distance) C4'-P energy: -101.739
bonds (distance) P-C4' energy: -116.743
flat angles C4'-P-C4' energy: -103.197
flat angles P-C4'-P energy: -80.511
tors. eta vs tors. theta energy: -115.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1354.123618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.123618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.123618 (E_RNA)
where:
Base-Base interactions energy: -871.505
where: short stacking energy: -406.327
Base-Backbone interact. energy: -0.143
local terms energy: -482.476237
where:
bonds (distance) C4'-P energy: -83.167
bonds (distance) P-C4' energy: -118.604
flat angles C4'-P-C4' energy: -113.913
flat angles P-C4'-P energy: -67.670
tors. eta vs tors. theta energy: -99.123
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: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -946.247622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.247622 (E_RNA)
where:
Base-Base interactions energy: -544.743
where: short stacking energy: -289.318
Base-Backbone interact. energy: 1.228
local terms energy: -402.732254
where:
bonds (distance) C4'-P energy: -96.823
bonds (distance) P-C4' energy: -113.874
flat angles C4'-P-C4' energy: -105.016
flat angles P-C4'-P energy: -58.750
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -772.632590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.632590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.632590 (E_RNA)
where:
Base-Base interactions energy: -392.277
where: short stacking energy: -210.414
Base-Backbone interact. energy: 1.668
local terms energy: -382.023228
where:
bonds (distance) C4'-P energy: -96.483
bonds (distance) P-C4' energy: -108.046
flat angles C4'-P-C4' energy: -88.395
flat angles P-C4'-P energy: -80.324
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -485.641358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.641358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.641358 (E_RNA)
where:
Base-Base interactions energy: -202.375
where: short stacking energy: -139.769
Base-Backbone interact. energy: 9.759
local terms energy: -293.024988
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -106.356
flat angles C4'-P-C4' energy: -68.743
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: 17.687
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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2106.530233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.530233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.530233 (E_RNA)
where:
Base-Base interactions energy: -1457.947
where: short stacking energy: -615.030
Base-Backbone interact. energy: -1.120
local terms energy: -647.463723
where:
bonds (distance) C4'-P energy: -98.115
bonds (distance) P-C4' energy: -131.994
flat angles C4'-P-C4' energy: -139.696
flat angles P-C4'-P energy: -85.109
tors. eta vs tors. theta energy: -192.549
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: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2022.447574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.447574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.447574 (E_RNA)
where:
Base-Base interactions energy: -1387.575
where: short stacking energy: -591.598
Base-Backbone interact. energy: -1.124
local terms energy: -633.748624
where:
bonds (distance) C4'-P energy: -113.185
bonds (distance) P-C4' energy: -116.766
flat angles C4'-P-C4' energy: -139.401
flat angles P-C4'-P energy: -89.759
tors. eta vs tors. theta energy: -174.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1962.934203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.934203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.934203 (E_RNA)
where:
Base-Base interactions energy: -1363.839
where: short stacking energy: -557.591
Base-Backbone interact. energy: -1.382
local terms energy: -597.712989
where:
bonds (distance) C4'-P energy: -115.281
bonds (distance) P-C4' energy: -108.973
flat angles C4'-P-C4' energy: -120.169
flat angles P-C4'-P energy: -90.624
tors. eta vs tors. theta energy: -162.666
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: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1873.017782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.017782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.017782 (E_RNA)
where:
Base-Base interactions energy: -1283.114
where: short stacking energy: -565.337
Base-Backbone interact. energy: -0.626
local terms energy: -589.278478
where:
bonds (distance) C4'-P energy: -115.705
bonds (distance) P-C4' energy: -108.830
flat angles C4'-P-C4' energy: -121.649
flat angles P-C4'-P energy: -80.010
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: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1686.998196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.998196 (E_RNA)
where:
Base-Base interactions energy: -1110.414
where: short stacking energy: -490.213
Base-Backbone interact. energy: -3.257
local terms energy: -573.327360
where:
bonds (distance) C4'-P energy: -99.992
bonds (distance) P-C4' energy: -112.312
flat angles C4'-P-C4' energy: -114.644
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -159.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1521.892170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.892170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.892170 (E_RNA)
where:
Base-Base interactions energy: -986.434
where: short stacking energy: -439.995
Base-Backbone interact. energy: 2.242
local terms energy: -537.699820
where:
bonds (distance) C4'-P energy: -117.036
bonds (distance) P-C4' energy: -120.342
flat angles C4'-P-C4' energy: -92.308
flat angles P-C4'-P energy: -84.125
tors. eta vs tors. theta energy: -123.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1366.864121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.864121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.864121 (E_RNA)
where:
Base-Base interactions energy: -888.198
where: short stacking energy: -393.285
Base-Backbone interact. energy: -2.956
local terms energy: -475.709434
where:
bonds (distance) C4'-P energy: -102.091
bonds (distance) P-C4' energy: -104.266
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -62.822
tors. eta vs tors. theta energy: -102.042
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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -948.575061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.575061 (E_RNA)
where:
Base-Base interactions energy: -528.842
where: short stacking energy: -274.150
Base-Backbone interact. energy: 1.271
local terms energy: -421.003990
where:
bonds (distance) C4'-P energy: -102.323
bonds (distance) P-C4' energy: -125.169
flat angles C4'-P-C4' energy: -85.410
flat angles P-C4'-P energy: -60.104
tors. eta vs tors. theta energy: -47.998
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -706.926317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.926317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.926317 (E_RNA)
where:
Base-Base interactions energy: -374.728
where: short stacking energy: -201.682
Base-Backbone interact. energy: -0.428
local terms energy: -331.769890
where:
bonds (distance) C4'-P energy: -81.525
bonds (distance) P-C4' energy: -102.270
flat angles C4'-P-C4' energy: -86.577
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -495.751446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.751446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.751446 (E_RNA)
where:
Base-Base interactions energy: -184.896
where: short stacking energy: -125.422
Base-Backbone interact. energy: 0.045
local terms energy: -310.899898
where:
bonds (distance) C4'-P energy: -106.324
bonds (distance) P-C4' energy: -97.447
flat angles C4'-P-C4' energy: -70.241
flat angles P-C4'-P energy: -49.968
tors. eta vs tors. theta energy: 13.080
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: 203
Temperature: 0.900000
Total energy: -2114.699933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.699933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.699933 (E_RNA)
where:
Base-Base interactions energy: -1444.598
where: short stacking energy: -592.865
Base-Backbone interact. energy: -1.089
local terms energy: -669.012733
where:
bonds (distance) C4'-P energy: -123.492
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -140.743
flat angles P-C4'-P energy: -86.891
tors. eta vs tors. theta energy: -191.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2034.336010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.336010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.336010 (E_RNA)
where:
Base-Base interactions energy: -1401.470
where: short stacking energy: -563.836
Base-Backbone interact. energy: -3.721
local terms energy: -629.144738
where:
bonds (distance) C4'-P energy: -124.436
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -141.166
flat angles P-C4'-P energy: -95.447
tors. eta vs tors. theta energy: -159.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1970.131402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.131402 (E_RNA)
where:
Base-Base interactions energy: -1337.865
where: short stacking energy: -548.810
Base-Backbone interact. energy: 4.398
local terms energy: -636.664031
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -125.936
flat angles C4'-P-C4' energy: -137.579
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -176.704
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: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1857.056177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.056177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.056177 (E_RNA)
where:
Base-Base interactions energy: -1251.628
where: short stacking energy: -531.309
Base-Backbone interact. energy: -3.846
local terms energy: -601.582937
where:
bonds (distance) C4'-P energy: -104.171
bonds (distance) P-C4' energy: -120.730
flat angles C4'-P-C4' energy: -135.097
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -158.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1652.057123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.057123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.057123 (E_RNA)
where:
Base-Base interactions energy: -1112.536
where: short stacking energy: -468.978
Base-Backbone interact. energy: -2.101
local terms energy: -537.420374
where:
bonds (distance) C4'-P energy: -95.192
bonds (distance) P-C4' energy: -106.735
flat angles C4'-P-C4' energy: -118.355
flat angles P-C4'-P energy: -85.113
tors. eta vs tors. theta energy: -132.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1411.757653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.757653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.757653 (E_RNA)
where:
Base-Base interactions energy: -886.274
where: short stacking energy: -407.041
Base-Backbone interact. energy: -0.700
local terms energy: -524.783920
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -114.921
flat angles C4'-P-C4' energy: -117.147
flat angles P-C4'-P energy: -85.954
tors. eta vs tors. theta energy: -94.407
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1469.703323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.703323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.703323 (E_RNA)
where:
Base-Base interactions energy: -940.458
where: short stacking energy: -401.074
Base-Backbone interact. energy: -2.228
local terms energy: -527.016466
where:
bonds (distance) C4'-P energy: -116.359
bonds (distance) P-C4' energy: -121.465
flat angles C4'-P-C4' energy: -105.974
flat angles P-C4'-P energy: -74.132
tors. eta vs tors. theta energy: -109.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -931.513549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.513549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.513549 (E_RNA)
where:
Base-Base interactions energy: -506.612
where: short stacking energy: -264.944
Base-Backbone interact. energy: -0.765
local terms energy: -424.136378
where:
bonds (distance) C4'-P energy: -102.249
bonds (distance) P-C4' energy: -104.976
flat angles C4'-P-C4' energy: -98.194
flat angles P-C4'-P energy: -70.324
tors. eta vs tors. theta energy: -48.393
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: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -647.956262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.956262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.956262 (E_RNA)
where:
Base-Base interactions energy: -328.816
where: short stacking energy: -183.615
Base-Backbone interact. energy: 1.586
local terms energy: -320.726636
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -97.820
flat angles C4'-P-C4' energy: -92.634
flat angles P-C4'-P energy: -53.297
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -481.284609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.284609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.284609 (E_RNA)
where:
Base-Base interactions energy: -194.742
where: short stacking energy: -131.343
Base-Backbone interact. energy: 10.921
local terms energy: -297.463171
where:
bonds (distance) C4'-P energy: -104.020
bonds (distance) P-C4' energy: -89.069
flat angles C4'-P-C4' energy: -76.083
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: 18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2114.458271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.458271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.458271 (E_RNA)
where:
Base-Base interactions energy: -1440.332
where: short stacking energy: -594.995
Base-Backbone interact. energy: -1.438
local terms energy: -672.688001
where:
bonds (distance) C4'-P energy: -121.826
bonds (distance) P-C4' energy: -127.153
flat angles C4'-P-C4' energy: -143.117
flat angles P-C4'-P energy: -96.998
tors. eta vs tors. theta energy: -183.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2025.790742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.790742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.790742 (E_RNA)
where:
Base-Base interactions energy: -1390.331
where: short stacking energy: -585.503
Base-Backbone interact. energy: -4.188
local terms energy: -631.272338
where:
bonds (distance) C4'-P energy: -122.604
bonds (distance) P-C4' energy: -121.536
flat angles C4'-P-C4' energy: -130.365
flat angles P-C4'-P energy: -82.509
tors. eta vs tors. theta energy: -174.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1943.288258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.288258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.288258 (E_RNA)
where:
Base-Base interactions energy: -1304.317
where: short stacking energy: -522.317
Base-Backbone interact. energy: -1.658
local terms energy: -637.312887
where:
bonds (distance) C4'-P energy: -117.809
bonds (distance) P-C4' energy: -120.217
flat angles C4'-P-C4' energy: -136.333
flat angles P-C4'-P energy: -98.403
tors. eta vs tors. theta energy: -164.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1832.734112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.734112 (E_RNA)
where:
Base-Base interactions energy: -1265.200
where: short stacking energy: -522.177
Base-Backbone interact. energy: -0.404
local terms energy: -567.130060
where:
bonds (distance) C4'-P energy: -101.425
bonds (distance) P-C4' energy: -117.079
flat angles C4'-P-C4' energy: -120.885
flat angles P-C4'-P energy: -77.355
tors. eta vs tors. theta energy: -150.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1679.478861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.478861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.478861 (E_RNA)
where:
Base-Base interactions energy: -1127.156
where: short stacking energy: -471.942
Base-Backbone interact. energy: -0.952
local terms energy: -551.370256
where:
bonds (distance) C4'-P energy: -105.934
bonds (distance) P-C4' energy: -120.555
flat angles C4'-P-C4' energy: -127.653
flat angles P-C4'-P energy: -66.895
tors. eta vs tors. theta energy: -130.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1430.713616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.713616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.713616 (E_RNA)
where:
Base-Base interactions energy: -900.013
where: short stacking energy: -390.065
Base-Backbone interact. energy: -2.852
local terms energy: -527.848772
where:
bonds (distance) C4'-P energy: -105.403
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -116.111
flat angles P-C4'-P energy: -73.325
tors. eta vs tors. theta energy: -116.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1467.333097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.333097 (E_RNA)
where:
Base-Base interactions energy: -978.505
where: short stacking energy: -433.841
Base-Backbone interact. energy: -4.095
local terms energy: -484.733471
where:
bonds (distance) C4'-P energy: -95.345
bonds (distance) P-C4' energy: -109.372
flat angles C4'-P-C4' energy: -95.379
flat angles P-C4'-P energy: -66.833
tors. eta vs tors. theta energy: -117.805
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: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -999.362155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.362155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.362155 (E_RNA)
where:
Base-Base interactions energy: -587.217
where: short stacking energy: -292.135
Base-Backbone interact. energy: -2.711
local terms energy: -409.434929
where:
bonds (distance) C4'-P energy: -104.238
bonds (distance) P-C4' energy: -122.214
flat angles C4'-P-C4' energy: -87.783
flat angles P-C4'-P energy: -64.792
tors. eta vs tors. theta energy: -30.409
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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -665.509566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.509566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.509566 (E_RNA)
where:
Base-Base interactions energy: -328.264
where: short stacking energy: -175.662
Base-Backbone interact. energy: -1.385
local terms energy: -335.859739
where:
bonds (distance) C4'-P energy: -91.100
bonds (distance) P-C4' energy: -105.559
flat angles C4'-P-C4' energy: -99.062
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -481.589771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.589771 (E_RNA)
where:
Base-Base interactions energy: -165.158
where: short stacking energy: -138.534
Base-Backbone interact. energy: 2.672
local terms energy: -319.103572
where:
bonds (distance) C4'-P energy: -97.251
bonds (distance) P-C4' energy: -106.940
flat angles C4'-P-C4' energy: -74.481
flat angles P-C4'-P energy: -55.665
tors. eta vs tors. theta energy: 15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2100.591020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.591020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.591020 (E_RNA)
where:
Base-Base interactions energy: -1453.394
where: short stacking energy: -593.959
Base-Backbone interact. energy: -1.693
local terms energy: -645.504183
where:
bonds (distance) C4'-P energy: -125.786
bonds (distance) P-C4' energy: -109.616
flat angles C4'-P-C4' energy: -145.138
flat angles P-C4'-P energy: -85.970
tors. eta vs tors. theta energy: -178.994
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: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2051.423580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.423580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.423580 (E_RNA)
where:
Base-Base interactions energy: -1397.911
where: short stacking energy: -572.698
Base-Backbone interact. energy: 2.179
local terms energy: -655.691880
where:
bonds (distance) C4'-P energy: -122.855
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -139.139
flat angles P-C4'-P energy: -87.273
tors. eta vs tors. theta energy: -176.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1936.890663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.890663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.890663 (E_RNA)
where:
Base-Base interactions energy: -1319.815
where: short stacking energy: -525.151
Base-Backbone interact. energy: -1.361
local terms energy: -615.714866
where:
bonds (distance) C4'-P energy: -107.429
bonds (distance) P-C4' energy: -129.233
flat angles C4'-P-C4' energy: -125.476
flat angles P-C4'-P energy: -88.012
tors. eta vs tors. theta energy: -165.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1878.479792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.479792 (E_RNA)
where:
Base-Base interactions energy: -1297.348
where: short stacking energy: -528.580
Base-Backbone interact. energy: -1.050
local terms energy: -580.081341
where:
bonds (distance) C4'-P energy: -90.739
bonds (distance) P-C4' energy: -115.436
flat angles C4'-P-C4' energy: -130.026
flat angles P-C4'-P energy: -88.600
tors. eta vs tors. theta energy: -155.281
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: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1704.783394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.783394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.783394 (E_RNA)
where:
Base-Base interactions energy: -1119.954
where: short stacking energy: -472.561
Base-Backbone interact. energy: -0.662
local terms energy: -584.167245
where:
bonds (distance) C4'-P energy: -110.010
bonds (distance) P-C4' energy: -114.348
flat angles C4'-P-C4' energy: -124.790
flat angles P-C4'-P energy: -92.074
tors. eta vs tors. theta energy: -142.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1522.095913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.095913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.095913 (E_RNA)
where:
Base-Base interactions energy: -995.363
where: short stacking energy: -446.875
Base-Backbone interact. energy: 0.089
local terms energy: -526.822025
where:
bonds (distance) C4'-P energy: -110.602
bonds (distance) P-C4' energy: -89.562
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -86.043
tors. eta vs tors. theta energy: -114.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1418.928699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.928699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.928699 (E_RNA)
where:
Base-Base interactions energy: -931.506
where: short stacking energy: -430.861
Base-Backbone interact. energy: -1.244
local terms energy: -486.178711
where:
bonds (distance) C4'-P energy: -90.250
bonds (distance) P-C4' energy: -108.188
flat angles C4'-P-C4' energy: -104.527
flat angles P-C4'-P energy: -66.579
tors. eta vs tors. theta energy: -116.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -926.412496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.412496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.412496 (E_RNA)
where:
Base-Base interactions energy: -519.260
where: short stacking energy: -268.326
Base-Backbone interact. energy: 0.476
local terms energy: -407.627901
where:
bonds (distance) C4'-P energy: -97.863
bonds (distance) P-C4' energy: -118.349
flat angles C4'-P-C4' energy: -95.897
flat angles P-C4'-P energy: -76.755
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -714.311205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.311205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.311205 (E_RNA)
where:
Base-Base interactions energy: -357.958
where: short stacking energy: -204.075
Base-Backbone interact. energy: -1.357
local terms energy: -354.996743
where:
bonds (distance) C4'-P energy: -97.833
bonds (distance) P-C4' energy: -122.405
flat angles C4'-P-C4' energy: -74.769
flat angles P-C4'-P energy: -68.296
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -498.218801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.218801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.218801 (E_RNA)
where:
Base-Base interactions energy: -174.221
where: short stacking energy: -159.100
Base-Backbone interact. energy: 0.409
local terms energy: -324.407064
where:
bonds (distance) C4'-P energy: -75.127
bonds (distance) P-C4' energy: -104.309
flat angles C4'-P-C4' energy: -92.923
flat angles P-C4'-P energy: -59.686
tors. eta vs tors. theta energy: 7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2098.905075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.905075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.905075 (E_RNA)
where:
Base-Base interactions energy: -1450.891
where: short stacking energy: -596.144
Base-Backbone interact. energy: -2.971
local terms energy: -645.043096
where:
bonds (distance) C4'-P energy: -122.804
bonds (distance) P-C4' energy: -124.992
flat angles C4'-P-C4' energy: -128.569
flat angles P-C4'-P energy: -95.383
tors. eta vs tors. theta energy: -173.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2063.325287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.325287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.325287 (E_RNA)
where:
Base-Base interactions energy: -1424.882
where: short stacking energy: -599.054
Base-Backbone interact. energy: 1.237
local terms energy: -639.680473
where:
bonds (distance) C4'-P energy: -102.560
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -140.666
flat angles P-C4'-P energy: -86.697
tors. eta vs tors. theta energy: -189.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1946.543178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.543178 (E_RNA)
where:
Base-Base interactions energy: -1310.834
where: short stacking energy: -534.350
Base-Backbone interact. energy: -1.871
local terms energy: -633.838163
where:
bonds (distance) C4'-P energy: -103.115
bonds (distance) P-C4' energy: -129.820
flat angles C4'-P-C4' energy: -133.977
flat angles P-C4'-P energy: -96.733
tors. eta vs tors. theta energy: -170.192
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: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1849.364201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.364201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.364201 (E_RNA)
where:
Base-Base interactions energy: -1271.368
where: short stacking energy: -509.752
Base-Backbone interact. energy: -1.880
local terms energy: -576.115889
where:
bonds (distance) C4'-P energy: -112.901
bonds (distance) P-C4' energy: -116.242
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -149.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1680.093117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.093117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.093117 (E_RNA)
where:
Base-Base interactions energy: -1109.967
where: short stacking energy: -457.886
Base-Backbone interact. energy: -3.859
local terms energy: -566.267146
where:
bonds (distance) C4'-P energy: -104.941
bonds (distance) P-C4' energy: -122.934
flat angles C4'-P-C4' energy: -115.014
flat angles P-C4'-P energy: -82.434
tors. eta vs tors. theta energy: -140.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1478.004968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.004968 (E_RNA)
where:
Base-Base interactions energy: -941.273
where: short stacking energy: -430.321
Base-Backbone interact. energy: -0.878
local terms energy: -535.853899
where:
bonds (distance) C4'-P energy: -103.615
bonds (distance) P-C4' energy: -112.295
flat angles C4'-P-C4' energy: -123.017
flat angles P-C4'-P energy: -75.138
tors. eta vs tors. theta energy: -121.788
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: 206
Temperature: 1.200000
Total energy: -1362.729135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.729135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.729135 (E_RNA)
where:
Base-Base interactions energy: -871.299
where: short stacking energy: -393.448
Base-Backbone interact. energy: -2.009
local terms energy: -489.420546
where:
bonds (distance) C4'-P energy: -102.830
bonds (distance) P-C4' energy: -95.738
flat angles C4'-P-C4' energy: -116.968
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -97.170
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: 206
Temperature: 1.250000
Total energy: -909.517437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.517437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.517437 (E_RNA)
where:
Base-Base interactions energy: -532.290
where: short stacking energy: -262.502
Base-Backbone interact. energy: -6.713
local terms energy: -370.514148
where:
bonds (distance) C4'-P energy: -85.121
bonds (distance) P-C4' energy: -99.755
flat angles C4'-P-C4' energy: -101.789
flat angles P-C4'-P energy: -60.362
tors. eta vs tors. theta energy: -23.487
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: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -711.086943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.086943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.086943 (E_RNA)
where:
Base-Base interactions energy: -335.116
where: short stacking energy: -168.542
Base-Backbone interact. energy: 5.751
local terms energy: -381.722383
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -119.554
flat angles C4'-P-C4' energy: -101.692
flat angles P-C4'-P energy: -59.068
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -458.854805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.854805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.854805 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -93.233
Base-Backbone interact. energy: -0.961
local terms energy: -323.611813
where:
bonds (distance) C4'-P energy: -95.515
bonds (distance) P-C4' energy: -103.794
flat angles C4'-P-C4' energy: -87.930
flat angles P-C4'-P energy: -48.437
tors. eta vs tors. theta energy: 12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2088.085533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.085533 (E_RNA)
where:
Base-Base interactions energy: -1458.292
where: short stacking energy: -591.708
Base-Backbone interact. energy: 0.088
local terms energy: -629.881506
where:
bonds (distance) C4'-P energy: -107.568
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -128.022
flat angles P-C4'-P energy: -85.796
tors. eta vs tors. theta energy: -180.273
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: 207
Temperature: 0.950000
Total energy: -2013.734231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.734231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.734231 (E_RNA)
where:
Base-Base interactions energy: -1357.963
where: short stacking energy: -548.026
Base-Backbone interact. energy: -3.366
local terms energy: -652.405527
where:
bonds (distance) C4'-P energy: -113.825
bonds (distance) P-C4' energy: -133.519
flat angles C4'-P-C4' energy: -134.321
flat angles P-C4'-P energy: -89.150
tors. eta vs tors. theta energy: -181.591
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: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1922.186408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.186408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.186408 (E_RNA)
where:
Base-Base interactions energy: -1329.348
where: short stacking energy: -564.247
Base-Backbone interact. energy: -0.710
local terms energy: -592.129023
where:
bonds (distance) C4'-P energy: -102.660
bonds (distance) P-C4' energy: -112.095
flat angles C4'-P-C4' energy: -122.946
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -171.890
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: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1883.954541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.954541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.954541 (E_RNA)
where:
Base-Base interactions energy: -1283.491
where: short stacking energy: -550.653
Base-Backbone interact. energy: -2.251
local terms energy: -598.212739
where:
bonds (distance) C4'-P energy: -116.833
bonds (distance) P-C4' energy: -102.463
flat angles C4'-P-C4' energy: -127.605
flat angles P-C4'-P energy: -87.748
tors. eta vs tors. theta energy: -163.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1695.209556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.209556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.209556 (E_RNA)
where:
Base-Base interactions energy: -1128.416
where: short stacking energy: -477.310
Base-Backbone interact. energy: -2.540
local terms energy: -564.253517
where:
bonds (distance) C4'-P energy: -129.024
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -117.149
flat angles P-C4'-P energy: -88.094
tors. eta vs tors. theta energy: -129.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1566.358016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.358016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.358016 (E_RNA)
where:
Base-Base interactions energy: -1012.048
where: short stacking energy: -474.037
Base-Backbone interact. energy: -0.947
local terms energy: -553.362792
where:
bonds (distance) C4'-P energy: -107.741
bonds (distance) P-C4' energy: -111.861
flat angles C4'-P-C4' energy: -111.647
flat angles P-C4'-P energy: -79.077
tors. eta vs tors. theta energy: -143.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1383.685561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.685561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.685561 (E_RNA)
where:
Base-Base interactions energy: -882.956
where: short stacking energy: -404.732
Base-Backbone interact. energy: 3.060
local terms energy: -503.789202
where:
bonds (distance) C4'-P energy: -115.917
bonds (distance) P-C4' energy: -120.485
flat angles C4'-P-C4' energy: -109.795
flat angles P-C4'-P energy: -57.964
tors. eta vs tors. theta energy: -99.626
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: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -939.106176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.106176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.106176 (E_RNA)
where:
Base-Base interactions energy: -530.762
where: short stacking energy: -248.794
Base-Backbone interact. energy: -3.478
local terms energy: -404.866690
where:
bonds (distance) C4'-P energy: -102.531
bonds (distance) P-C4' energy: -99.635
flat angles C4'-P-C4' energy: -104.767
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -713.007663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.007663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.007663 (E_RNA)
where:
Base-Base interactions energy: -387.628
where: short stacking energy: -197.872
Base-Backbone interact. energy: 2.796
local terms energy: -328.175614
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -102.621
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: 6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -471.060111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.060111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.060111 (E_RNA)
where:
Base-Base interactions energy: -173.314
where: short stacking energy: -96.573
Base-Backbone interact. energy: 3.848
local terms energy: -301.594032
where:
bonds (distance) C4'-P energy: -89.014
bonds (distance) P-C4' energy: -97.263
flat angles C4'-P-C4' energy: -112.671
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: 30.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2104.385572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.385572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.385572 (E_RNA)
where:
Base-Base interactions energy: -1467.880
where: short stacking energy: -593.555
Base-Backbone interact. energy: -0.633
local terms energy: -635.872930
where:
bonds (distance) C4'-P energy: -130.325
bonds (distance) P-C4' energy: -115.434
flat angles C4'-P-C4' energy: -121.087
flat angles P-C4'-P energy: -93.594
tors. eta vs tors. theta energy: -175.433
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: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2022.678870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.678870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.678870 (E_RNA)
where:
Base-Base interactions energy: -1394.592
where: short stacking energy: -576.096
Base-Backbone interact. energy: -2.005
local terms energy: -626.081120
where:
bonds (distance) C4'-P energy: -119.512
bonds (distance) P-C4' energy: -117.538
flat angles C4'-P-C4' energy: -128.107
flat angles P-C4'-P energy: -82.945
tors. eta vs tors. theta energy: -177.980
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: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1964.578874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.578874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.578874 (E_RNA)
where:
Base-Base interactions energy: -1334.497
where: short stacking energy: -553.509
Base-Backbone interact. energy: 1.677
local terms energy: -631.758354
where:
bonds (distance) C4'-P energy: -123.287
bonds (distance) P-C4' energy: -118.570
flat angles C4'-P-C4' energy: -137.137
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -173.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1883.569008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.569008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.569008 (E_RNA)
where:
Base-Base interactions energy: -1302.876
where: short stacking energy: -536.846
Base-Backbone interact. energy: -4.807
local terms energy: -575.886219
where:
bonds (distance) C4'-P energy: -112.235
bonds (distance) P-C4' energy: -107.454
flat angles C4'-P-C4' energy: -128.700
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -158.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1660.700035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.700035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.700035 (E_RNA)
where:
Base-Base interactions energy: -1114.393
where: short stacking energy: -462.825
Base-Backbone interact. energy: 0.718
local terms energy: -547.025410
where:
bonds (distance) C4'-P energy: -104.967
bonds (distance) P-C4' energy: -104.939
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -134.723
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: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1554.412396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.412396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.412396 (E_RNA)
where:
Base-Base interactions energy: -1034.937
where: short stacking energy: -462.521
Base-Backbone interact. energy: -2.267
local terms energy: -517.208134
where:
bonds (distance) C4'-P energy: -92.008
bonds (distance) P-C4' energy: -97.333
flat angles C4'-P-C4' energy: -111.710
flat angles P-C4'-P energy: -73.860
tors. eta vs tors. theta energy: -142.296
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: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1333.779885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.779885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.779885 (E_RNA)
where:
Base-Base interactions energy: -866.005
where: short stacking energy: -397.789
Base-Backbone interact. energy: -0.289
local terms energy: -467.485336
where:
bonds (distance) C4'-P energy: -107.852
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -108.776
flat angles P-C4'-P energy: -56.746
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -948.170946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.170946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.170946 (E_RNA)
where:
Base-Base interactions energy: -536.535
where: short stacking energy: -276.617
Base-Backbone interact. energy: -2.916
local terms energy: -408.719636
where:
bonds (distance) C4'-P energy: -85.230
bonds (distance) P-C4' energy: -113.303
flat angles C4'-P-C4' energy: -90.033
flat angles P-C4'-P energy: -83.550
tors. eta vs tors. theta energy: -36.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -698.539370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.539370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.539370 (E_RNA)
where:
Base-Base interactions energy: -358.444
where: short stacking energy: -212.740
Base-Backbone interact. energy: -1.010
local terms energy: -339.085032
where:
bonds (distance) C4'-P energy: -110.930
bonds (distance) P-C4' energy: -89.147
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -458.638869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.638869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.638869 (E_RNA)
where:
Base-Base interactions energy: -153.910
where: short stacking energy: -134.911
Base-Backbone interact. energy: 1.939
local terms energy: -306.667890
where:
bonds (distance) C4'-P energy: -97.933
bonds (distance) P-C4' energy: -97.308
flat angles C4'-P-C4' energy: -84.471
flat angles P-C4'-P energy: -52.037
tors. eta vs tors. theta energy: 25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2112.644179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.644179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.644179 (E_RNA)
where:
Base-Base interactions energy: -1450.115
where: short stacking energy: -594.705
Base-Backbone interact. energy: -1.721
local terms energy: -660.808441
where:
bonds (distance) C4'-P energy: -115.061
bonds (distance) P-C4' energy: -131.490
flat angles C4'-P-C4' energy: -141.844
flat angles P-C4'-P energy: -99.077
tors. eta vs tors. theta energy: -173.336
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2037.003849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.003849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.003849 (E_RNA)
where:
Base-Base interactions energy: -1407.100
where: short stacking energy: -578.774
Base-Backbone interact. energy: -3.648
local terms energy: -626.255557
where:
bonds (distance) C4'-P energy: -114.886
bonds (distance) P-C4' energy: -127.078
flat angles C4'-P-C4' energy: -125.584
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -170.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1929.197361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.197361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.197361 (E_RNA)
where:
Base-Base interactions energy: -1318.052
where: short stacking energy: -550.725
Base-Backbone interact. energy: -2.467
local terms energy: -608.678632
where:
bonds (distance) C4'-P energy: -113.928
bonds (distance) P-C4' energy: -124.176
flat angles C4'-P-C4' energy: -130.179
flat angles P-C4'-P energy: -84.789
tors. eta vs tors. theta energy: -155.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1911.592274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.592274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.592274 (E_RNA)
where:
Base-Base interactions energy: -1320.655
where: short stacking energy: -554.404
Base-Backbone interact. energy: -3.258
local terms energy: -587.679188
where:
bonds (distance) C4'-P energy: -109.238
bonds (distance) P-C4' energy: -125.883
flat angles C4'-P-C4' energy: -124.021
flat angles P-C4'-P energy: -68.422
tors. eta vs tors. theta energy: -160.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1631.956485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.956485 (E_RNA)
where:
Base-Base interactions energy: -1095.707
where: short stacking energy: -459.986
Base-Backbone interact. energy: -0.178
local terms energy: -536.071148
where:
bonds (distance) C4'-P energy: -94.393
bonds (distance) P-C4' energy: -110.968
flat angles C4'-P-C4' energy: -114.574
flat angles P-C4'-P energy: -86.627
tors. eta vs tors. theta energy: -129.509
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: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1537.760393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.760393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.760393 (E_RNA)
where:
Base-Base interactions energy: -1015.918
where: short stacking energy: -448.445
Base-Backbone interact. energy: -1.240
local terms energy: -520.602721
where:
bonds (distance) C4'-P energy: -94.323
bonds (distance) P-C4' energy: -108.314
flat angles C4'-P-C4' energy: -109.782
flat angles P-C4'-P energy: -88.236
tors. eta vs tors. theta energy: -119.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1320.566517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.566517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.566517 (E_RNA)
where:
Base-Base interactions energy: -844.476
where: short stacking energy: -377.249
Base-Backbone interact. energy: -2.149
local terms energy: -473.941614
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -120.134
flat angles P-C4'-P energy: -54.070
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: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -981.242646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.242646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.242646 (E_RNA)
where:
Base-Base interactions energy: -579.684
where: short stacking energy: -270.854
Base-Backbone interact. energy: -3.088
local terms energy: -398.470579
where:
bonds (distance) C4'-P energy: -83.353
bonds (distance) P-C4' energy: -99.142
flat angles C4'-P-C4' energy: -102.991
flat angles P-C4'-P energy: -69.596
tors. eta vs tors. theta energy: -43.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -667.184397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.184397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.184397 (E_RNA)
where:
Base-Base interactions energy: -317.395
where: short stacking energy: -171.823
Base-Backbone interact. energy: -0.290
local terms energy: -349.499481
where:
bonds (distance) C4'-P energy: -95.954
bonds (distance) P-C4' energy: -114.371
flat angles C4'-P-C4' energy: -87.040
flat angles P-C4'-P energy: -51.473
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -466.015920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.015920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.015920 (E_RNA)
where:
Base-Base interactions energy: -173.157
where: short stacking energy: -125.775
Base-Backbone interact. energy: 2.937
local terms energy: -295.796347
where:
bonds (distance) C4'-P energy: -93.805
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -76.834
flat angles P-C4'-P energy: -52.687
tors. eta vs tors. theta energy: 24.765
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2088.469734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.469734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.469734 (E_RNA)
where:
Base-Base interactions energy: -1447.520
where: short stacking energy: -587.743
Base-Backbone interact. energy: 2.367
local terms energy: -643.316581
where:
bonds (distance) C4'-P energy: -114.918
bonds (distance) P-C4' energy: -136.205
flat angles C4'-P-C4' energy: -129.061
flat angles P-C4'-P energy: -91.193
tors. eta vs tors. theta energy: -171.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2062.345935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.345935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.345935 (E_RNA)
where:
Base-Base interactions energy: -1438.555
where: short stacking energy: -586.404
Base-Backbone interact. energy: -4.541
local terms energy: -619.249443
where:
bonds (distance) C4'-P energy: -110.341
bonds (distance) P-C4' energy: -114.706
flat angles C4'-P-C4' energy: -134.767
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -175.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1942.847021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.847021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.847021 (E_RNA)
where:
Base-Base interactions energy: -1312.554
where: short stacking energy: -528.346
Base-Backbone interact. energy: 0.200
local terms energy: -630.492930
where:
bonds (distance) C4'-P energy: -114.813
bonds (distance) P-C4' energy: -128.387
flat angles C4'-P-C4' energy: -134.113
flat angles P-C4'-P energy: -88.823
tors. eta vs tors. theta energy: -164.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1936.704671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.704671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.704671 (E_RNA)
where:
Base-Base interactions energy: -1345.399
where: short stacking energy: -549.937
Base-Backbone interact. energy: -1.362
local terms energy: -589.943316
where:
bonds (distance) C4'-P energy: -113.124
bonds (distance) P-C4' energy: -104.398
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -162.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1581.121711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.121711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.121711 (E_RNA)
where:
Base-Base interactions energy: -1049.137
where: short stacking energy: -457.027
Base-Backbone interact. energy: -2.717
local terms energy: -529.267353
where:
bonds (distance) C4'-P energy: -115.398
bonds (distance) P-C4' energy: -115.729
flat angles C4'-P-C4' energy: -114.253
flat angles P-C4'-P energy: -65.368
tors. eta vs tors. theta energy: -118.520
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: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1540.756289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.756289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.756289 (E_RNA)
where:
Base-Base interactions energy: -1002.586
where: short stacking energy: -458.569
Base-Backbone interact. energy: 1.046
local terms energy: -539.216117
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -110.102
flat angles C4'-P-C4' energy: -122.735
flat angles P-C4'-P energy: -72.188
tors. eta vs tors. theta energy: -134.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1340.934754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.934754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.934754 (E_RNA)
where:
Base-Base interactions energy: -842.576
where: short stacking energy: -399.096
Base-Backbone interact. energy: -1.705
local terms energy: -496.653671
where:
bonds (distance) C4'-P energy: -99.307
bonds (distance) P-C4' energy: -115.833
flat angles C4'-P-C4' energy: -122.244
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -90.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1042.359957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.359957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.359957 (E_RNA)
where:
Base-Base interactions energy: -650.195
where: short stacking energy: -338.847
Base-Backbone interact. energy: -3.158
local terms energy: -389.007405
where:
bonds (distance) C4'-P energy: -82.680
bonds (distance) P-C4' energy: -82.793
flat angles C4'-P-C4' energy: -93.487
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: -62.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -643.622403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.622403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.622403 (E_RNA)
where:
Base-Base interactions energy: -318.822
where: short stacking energy: -176.283
Base-Backbone interact. energy: -1.598
local terms energy: -323.202698
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -89.814
flat angles C4'-P-C4' energy: -107.604
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -449.296441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.296441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.296441 (E_RNA)
where:
Base-Base interactions energy: -139.171
where: short stacking energy: -118.862
Base-Backbone interact. energy: 2.749
local terms energy: -312.874266
where:
bonds (distance) C4'-P energy: -107.142
bonds (distance) P-C4' energy: -102.041
flat angles C4'-P-C4' energy: -87.497
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: 28.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2120.715197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.715197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.715197 (E_RNA)
where:
Base-Base interactions energy: -1472.194
where: short stacking energy: -611.526
Base-Backbone interact. energy: -3.365
local terms energy: -645.155918
where:
bonds (distance) C4'-P energy: -115.917
bonds (distance) P-C4' energy: -130.695
flat angles C4'-P-C4' energy: -134.220
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -179.085
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2032.954358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.954358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.954358 (E_RNA)
where:
Base-Base interactions energy: -1387.481
where: short stacking energy: -588.010
Base-Backbone interact. energy: -0.533
local terms energy: -644.940338
where:
bonds (distance) C4'-P energy: -99.554
bonds (distance) P-C4' energy: -120.844
flat angles C4'-P-C4' energy: -145.653
flat angles P-C4'-P energy: -97.868
tors. eta vs tors. theta energy: -181.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1908.644146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.644146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.644146 (E_RNA)
where:
Base-Base interactions energy: -1265.229
where: short stacking energy: -548.339
Base-Backbone interact. energy: -1.527
local terms energy: -641.888600
where:
bonds (distance) C4'-P energy: -121.043
bonds (distance) P-C4' energy: -120.705
flat angles C4'-P-C4' energy: -137.375
flat angles P-C4'-P energy: -88.665
tors. eta vs tors. theta energy: -174.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1896.075995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.075995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.075995 (E_RNA)
where:
Base-Base interactions energy: -1300.493
where: short stacking energy: -542.905
Base-Backbone interact. energy: 1.037
local terms energy: -596.619306
where:
bonds (distance) C4'-P energy: -102.662
bonds (distance) P-C4' energy: -106.800
flat angles C4'-P-C4' energy: -134.700
flat angles P-C4'-P energy: -88.640
tors. eta vs tors. theta energy: -163.818
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: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1578.833819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.833819 (E_RNA)
where:
Base-Base interactions energy: -1060.001
where: short stacking energy: -441.347
Base-Backbone interact. energy: -5.134
local terms energy: -513.699173
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -115.282
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -119.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1508.961872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.961872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.961872 (E_RNA)
where:
Base-Base interactions energy: -976.324
where: short stacking energy: -427.796
Base-Backbone interact. energy: -0.753
local terms energy: -531.885059
where:
bonds (distance) C4'-P energy: -106.997
bonds (distance) P-C4' energy: -117.164
flat angles C4'-P-C4' energy: -114.041
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -126.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1283.424557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.424557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.424557 (E_RNA)
where:
Base-Base interactions energy: -811.339
where: short stacking energy: -368.429
Base-Backbone interact. energy: -2.011
local terms energy: -470.075307
where:
bonds (distance) C4'-P energy: -98.388
bonds (distance) P-C4' energy: -118.183
flat angles C4'-P-C4' energy: -111.316
flat angles P-C4'-P energy: -63.540
tors. eta vs tors. theta energy: -78.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1032.940137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.940137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.940137 (E_RNA)
where:
Base-Base interactions energy: -618.355
where: short stacking energy: -293.293
Base-Backbone interact. energy: -2.804
local terms energy: -411.780630
where:
bonds (distance) C4'-P energy: -109.168
bonds (distance) P-C4' energy: -108.936
flat angles C4'-P-C4' energy: -103.769
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -44.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -656.608849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.608849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.608849 (E_RNA)
where:
Base-Base interactions energy: -302.355
where: short stacking energy: -161.644
Base-Backbone interact. energy: 1.084
local terms energy: -355.337695
where:
bonds (distance) C4'-P energy: -103.474
bonds (distance) P-C4' energy: -110.877
flat angles C4'-P-C4' energy: -101.558
flat angles P-C4'-P energy: -55.250
tors. eta vs tors. theta energy: 15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -493.148572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.148572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.148572 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -127.964
Base-Backbone interact. energy: 9.249
local terms energy: -305.542821
where:
bonds (distance) C4'-P energy: -102.669
bonds (distance) P-C4' energy: -107.355
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -54.235
tors. eta vs tors. theta energy: 20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2084.022467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.022467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.022467 (E_RNA)
where:
Base-Base interactions energy: -1444.223
where: short stacking energy: -590.262
Base-Backbone interact. energy: 0.228
local terms energy: -640.027779
where:
bonds (distance) C4'-P energy: -118.445
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -139.100
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -171.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2011.899490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.899490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.899490 (E_RNA)
where:
Base-Base interactions energy: -1378.303
where: short stacking energy: -576.836
Base-Backbone interact. energy: -2.473
local terms energy: -631.124126
where:
bonds (distance) C4'-P energy: -124.304
bonds (distance) P-C4' energy: -100.628
flat angles C4'-P-C4' energy: -137.187
flat angles P-C4'-P energy: -91.254
tors. eta vs tors. theta energy: -177.751
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1943.609880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.609880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.609880 (E_RNA)
where:
Base-Base interactions energy: -1318.136
where: short stacking energy: -552.860
Base-Backbone interact. energy: -1.111
local terms energy: -624.363470
where:
bonds (distance) C4'-P energy: -121.217
bonds (distance) P-C4' energy: -115.609
flat angles C4'-P-C4' energy: -132.862
flat angles P-C4'-P energy: -90.036
tors. eta vs tors. theta energy: -164.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1893.570992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.570992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.570992 (E_RNA)
where:
Base-Base interactions energy: -1285.797
where: short stacking energy: -548.226
Base-Backbone interact. energy: -4.640
local terms energy: -603.133642
where:
bonds (distance) C4'-P energy: -102.868
bonds (distance) P-C4' energy: -112.922
flat angles C4'-P-C4' energy: -133.427
flat angles P-C4'-P energy: -80.046
tors. eta vs tors. theta energy: -173.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1583.898568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.898568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.898568 (E_RNA)
where:
Base-Base interactions energy: -1047.824
where: short stacking energy: -455.583
Base-Backbone interact. energy: -5.116
local terms energy: -530.959215
where:
bonds (distance) C4'-P energy: -103.084
bonds (distance) P-C4' energy: -117.634
flat angles C4'-P-C4' energy: -127.263
flat angles P-C4'-P energy: -73.678
tors. eta vs tors. theta energy: -109.299
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1487.787797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.787797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.787797 (E_RNA)
where:
Base-Base interactions energy: -1001.460
where: short stacking energy: -426.816
Base-Backbone interact. energy: 2.273
local terms energy: -488.600899
where:
bonds (distance) C4'-P energy: -92.077
bonds (distance) P-C4' energy: -99.611
flat angles C4'-P-C4' energy: -127.652
flat angles P-C4'-P energy: -61.954
tors. eta vs tors. theta energy: -107.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1269.691105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.691105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.691105 (E_RNA)
where:
Base-Base interactions energy: -800.908
where: short stacking energy: -361.074
Base-Backbone interact. energy: 1.178
local terms energy: -469.961251
where:
bonds (distance) C4'-P energy: -93.248
bonds (distance) P-C4' energy: -95.932
flat angles C4'-P-C4' energy: -103.577
flat angles P-C4'-P energy: -83.842
tors. eta vs tors. theta energy: -93.363
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -950.538793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.538793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.538793 (E_RNA)
where:
Base-Base interactions energy: -562.687
where: short stacking energy: -265.198
Base-Backbone interact. energy: 1.036
local terms energy: -388.887905
where:
bonds (distance) C4'-P energy: -106.394
bonds (distance) P-C4' energy: -89.737
flat angles C4'-P-C4' energy: -80.036
flat angles P-C4'-P energy: -66.156
tors. eta vs tors. theta energy: -46.565
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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -585.060501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.060501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.060501 (E_RNA)
where:
Base-Base interactions energy: -258.989
where: short stacking energy: -135.512
Base-Backbone interact. energy: 5.234
local terms energy: -331.305749
where:
bonds (distance) C4'-P energy: -92.019
bonds (distance) P-C4' energy: -107.519
flat angles C4'-P-C4' energy: -98.446
flat angles P-C4'-P energy: -51.341
tors. eta vs tors. theta energy: 18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -489.553982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.553982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.553982 (E_RNA)
where:
Base-Base interactions energy: -187.603
where: short stacking energy: -141.713
Base-Backbone interact. energy: -2.199
local terms energy: -299.752160
where:
bonds (distance) C4'-P energy: -79.033
bonds (distance) P-C4' energy: -99.114
flat angles C4'-P-C4' energy: -90.749
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: 18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2094.517499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.517499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.517499 (E_RNA)
where:
Base-Base interactions energy: -1427.270
where: short stacking energy: -600.556
Base-Backbone interact. energy: 0.065
local terms energy: -667.312290
where:
bonds (distance) C4'-P energy: -134.124
bonds (distance) P-C4' energy: -123.094
flat angles C4'-P-C4' energy: -142.008
flat angles P-C4'-P energy: -93.110
tors. eta vs tors. theta energy: -174.975
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2071.980194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.980194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.980194 (E_RNA)
where:
Base-Base interactions energy: -1437.691
where: short stacking energy: -567.957
Base-Backbone interact. energy: -2.651
local terms energy: -631.638338
where:
bonds (distance) C4'-P energy: -111.576
bonds (distance) P-C4' energy: -123.512
flat angles C4'-P-C4' energy: -119.062
flat angles P-C4'-P energy: -99.511
tors. eta vs tors. theta energy: -177.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1905.872109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.872109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.872109 (E_RNA)
where:
Base-Base interactions energy: -1302.525
where: short stacking energy: -567.496
Base-Backbone interact. energy: -3.565
local terms energy: -599.782334
where:
bonds (distance) C4'-P energy: -111.032
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -133.639
flat angles P-C4'-P energy: -85.199
tors. eta vs tors. theta energy: -154.432
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1827.266496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.266496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.266496 (E_RNA)
where:
Base-Base interactions energy: -1235.492
where: short stacking energy: -519.580
Base-Backbone interact. energy: 0.426
local terms energy: -592.200779
where:
bonds (distance) C4'-P energy: -111.512
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -119.891
flat angles P-C4'-P energy: -87.538
tors. eta vs tors. theta energy: -158.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1577.322910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.322910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.322910 (E_RNA)
where:
Base-Base interactions energy: -1046.954
where: short stacking energy: -475.437
Base-Backbone interact. energy: -2.936
local terms energy: -527.432201
where:
bonds (distance) C4'-P energy: -102.577
bonds (distance) P-C4' energy: -118.790
flat angles C4'-P-C4' energy: -108.284
flat angles P-C4'-P energy: -85.874
tors. eta vs tors. theta energy: -111.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1489.247830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.247830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.247830 (E_RNA)
where:
Base-Base interactions energy: -970.496
where: short stacking energy: -442.190
Base-Backbone interact. energy: -0.889
local terms energy: -517.863011
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -107.576
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -77.079
tors. eta vs tors. theta energy: -118.401
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: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1316.617954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.617954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.617954 (E_RNA)
where:
Base-Base interactions energy: -846.459
where: short stacking energy: -385.707
Base-Backbone interact. energy: -1.842
local terms energy: -468.317275
where:
bonds (distance) C4'-P energy: -99.951
bonds (distance) P-C4' energy: -114.912
flat angles C4'-P-C4' energy: -98.291
flat angles P-C4'-P energy: -60.505
tors. eta vs tors. theta energy: -94.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -944.979960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.979960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.979960 (E_RNA)
where:
Base-Base interactions energy: -577.686
where: short stacking energy: -251.650
Base-Backbone interact. energy: 3.987
local terms energy: -371.280320
where:
bonds (distance) C4'-P energy: -96.592
bonds (distance) P-C4' energy: -98.310
flat angles C4'-P-C4' energy: -89.554
flat angles P-C4'-P energy: -64.152
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -604.655286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.655286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.655286 (E_RNA)
where:
Base-Base interactions energy: -265.861
where: short stacking energy: -171.137
Base-Backbone interact. energy: 1.446
local terms energy: -340.239680
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -114.870
flat angles C4'-P-C4' energy: -89.522
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -472.046378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.046378 (E_RNA)
where:
Base-Base interactions energy: -153.919
where: short stacking energy: -122.255
Base-Backbone interact. energy: -0.531
local terms energy: -317.596818
where:
bonds (distance) C4'-P energy: -106.736
bonds (distance) P-C4' energy: -99.681
flat angles C4'-P-C4' energy: -85.257
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: 17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2078.840597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.840597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.840597 (E_RNA)
where:
Base-Base interactions energy: -1416.481
where: short stacking energy: -603.267
Base-Backbone interact. energy: -0.775
local terms energy: -661.584810
where:
bonds (distance) C4'-P energy: -120.416
bonds (distance) P-C4' energy: -137.616
flat angles C4'-P-C4' energy: -129.793
flat angles P-C4'-P energy: -98.623
tors. eta vs tors. theta energy: -175.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2037.661715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.661715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.661715 (E_RNA)
where:
Base-Base interactions energy: -1400.231
where: short stacking energy: -592.853
Base-Backbone interact. energy: -1.761
local terms energy: -635.669698
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -124.327
flat angles C4'-P-C4' energy: -134.619
flat angles P-C4'-P energy: -87.703
tors. eta vs tors. theta energy: -181.295
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: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1953.870960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.870960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.870960 (E_RNA)
where:
Base-Base interactions energy: -1334.638
where: short stacking energy: -571.554
Base-Backbone interact. energy: 1.589
local terms energy: -620.821547
where:
bonds (distance) C4'-P energy: -113.026
bonds (distance) P-C4' energy: -120.208
flat angles C4'-P-C4' energy: -131.904
flat angles P-C4'-P energy: -90.411
tors. eta vs tors. theta energy: -165.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1815.965698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.965698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.965698 (E_RNA)
where:
Base-Base interactions energy: -1237.110
where: short stacking energy: -501.018
Base-Backbone interact. energy: -2.387
local terms energy: -576.468063
where:
bonds (distance) C4'-P energy: -114.735
bonds (distance) P-C4' energy: -123.612
flat angles C4'-P-C4' energy: -121.333
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -149.034
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: 214
Temperature: 1.100000
Total energy: -1579.371829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.371829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.371829 (E_RNA)
where:
Base-Base interactions energy: -1055.308
where: short stacking energy: -446.184
Base-Backbone interact. energy: 6.299
local terms energy: -530.362841
where:
bonds (distance) C4'-P energy: -111.470
bonds (distance) P-C4' energy: -94.424
flat angles C4'-P-C4' energy: -122.798
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -121.921
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: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1421.515508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.515508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.515508 (E_RNA)
where:
Base-Base interactions energy: -921.189
where: short stacking energy: -372.938
Base-Backbone interact. energy: 0.850
local terms energy: -501.176221
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -114.556
flat angles C4'-P-C4' energy: -119.130
flat angles P-C4'-P energy: -70.803
tors. eta vs tors. theta energy: -90.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1305.809953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.809953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.809953 (E_RNA)
where:
Base-Base interactions energy: -838.120
where: short stacking energy: -386.165
Base-Backbone interact. energy: 0.995
local terms energy: -468.685173
where:
bonds (distance) C4'-P energy: -81.685
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -109.514
flat angles P-C4'-P energy: -83.910
tors. eta vs tors. theta energy: -97.087
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: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -966.758651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.758651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.758651 (E_RNA)
where:
Base-Base interactions energy: -548.590
where: short stacking energy: -257.583
Base-Backbone interact. energy: 4.162
local terms energy: -422.330351
where:
bonds (distance) C4'-P energy: -105.562
bonds (distance) P-C4' energy: -120.949
flat angles C4'-P-C4' energy: -100.544
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -30.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -640.169688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.169688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.169688 (E_RNA)
where:
Base-Base interactions energy: -279.723
where: short stacking energy: -175.005
Base-Backbone interact. energy: -0.665
local terms energy: -359.782011
where:
bonds (distance) C4'-P energy: -93.587
bonds (distance) P-C4' energy: -109.280
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -51.495
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -483.541763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.541763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.541763 (E_RNA)
where:
Base-Base interactions energy: -173.819
where: short stacking energy: -126.355
Base-Backbone interact. energy: 2.364
local terms energy: -312.086418
where:
bonds (distance) C4'-P energy: -94.699
bonds (distance) P-C4' energy: -107.802
flat angles C4'-P-C4' energy: -83.306
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: 17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2082.446705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.446705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.446705 (E_RNA)
where:
Base-Base interactions energy: -1432.927
where: short stacking energy: -607.621
Base-Backbone interact. energy: 0.672
local terms energy: -650.192034
where:
bonds (distance) C4'-P energy: -119.546
bonds (distance) P-C4' energy: -123.652
flat angles C4'-P-C4' energy: -139.805
flat angles P-C4'-P energy: -89.192
tors. eta vs tors. theta energy: -177.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2046.407507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.407507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.407507 (E_RNA)
where:
Base-Base interactions energy: -1382.988
where: short stacking energy: -570.988
Base-Backbone interact. energy: -0.679
local terms energy: -662.740571
where:
bonds (distance) C4'-P energy: -117.635
bonds (distance) P-C4' energy: -128.095
flat angles C4'-P-C4' energy: -139.005
flat angles P-C4'-P energy: -87.455
tors. eta vs tors. theta energy: -190.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1918.630001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.630001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.630001 (E_RNA)
where:
Base-Base interactions energy: -1311.770
where: short stacking energy: -554.670
Base-Backbone interact. energy: -0.807
local terms energy: -606.052541
where:
bonds (distance) C4'-P energy: -109.752
bonds (distance) P-C4' energy: -100.496
flat angles C4'-P-C4' energy: -145.919
flat angles P-C4'-P energy: -85.417
tors. eta vs tors. theta energy: -164.468
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: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1866.195601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.195601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.195601 (E_RNA)
where:
Base-Base interactions energy: -1268.820
where: short stacking energy: -535.194
Base-Backbone interact. energy: 0.509
local terms energy: -597.884656
where:
bonds (distance) C4'-P energy: -116.636
bonds (distance) P-C4' energy: -126.490
flat angles C4'-P-C4' energy: -125.974
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -162.642
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1549.065029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.065029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.065029 (E_RNA)
where:
Base-Base interactions energy: -984.375
where: short stacking energy: -441.219
Base-Backbone interact. energy: -4.017
local terms energy: -560.673767
where:
bonds (distance) C4'-P energy: -116.172
bonds (distance) P-C4' energy: -112.345
flat angles C4'-P-C4' energy: -124.214
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -126.858
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: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1483.144282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.144282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.144282 (E_RNA)
where:
Base-Base interactions energy: -967.754
where: short stacking energy: -444.094
Base-Backbone interact. energy: -1.786
local terms energy: -513.603958
where:
bonds (distance) C4'-P energy: -105.942
bonds (distance) P-C4' energy: -119.402
flat angles C4'-P-C4' energy: -100.850
flat angles P-C4'-P energy: -71.937
tors. eta vs tors. theta energy: -115.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1300.562208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.562208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.562208 (E_RNA)
where:
Base-Base interactions energy: -804.296
where: short stacking energy: -347.649
Base-Backbone interact. energy: 0.865
local terms energy: -497.131015
where:
bonds (distance) C4'-P energy: -108.186
bonds (distance) P-C4' energy: -120.477
flat angles C4'-P-C4' energy: -108.645
flat angles P-C4'-P energy: -81.737
tors. eta vs tors. theta energy: -78.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -879.594688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.594688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.594688 (E_RNA)
where:
Base-Base interactions energy: -495.432
where: short stacking energy: -252.693
Base-Backbone interact. energy: -0.891
local terms energy: -383.271617
where:
bonds (distance) C4'-P energy: -93.107
bonds (distance) P-C4' energy: -86.865
flat angles C4'-P-C4' energy: -101.105
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -565.392014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.392014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.392014 (E_RNA)
where:
Base-Base interactions energy: -222.404
where: short stacking energy: -151.397
Base-Backbone interact. energy: -0.953
local terms energy: -342.034661
where:
bonds (distance) C4'-P energy: -115.988
bonds (distance) P-C4' energy: -107.810
flat angles C4'-P-C4' energy: -80.464
flat angles P-C4'-P energy: -55.990
tors. eta vs tors. theta energy: 18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -505.767936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.767936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.767936 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -146.619
Base-Backbone interact. energy: -0.780
local terms energy: -347.072207
where:
bonds (distance) C4'-P energy: -113.623
bonds (distance) P-C4' energy: -108.010
flat angles C4'-P-C4' energy: -92.134
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: 6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2117.668671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.668671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.668671 (E_RNA)
where:
Base-Base interactions energy: -1470.683
where: short stacking energy: -615.870
Base-Backbone interact. energy: -1.180
local terms energy: -645.804974
where:
bonds (distance) C4'-P energy: -117.352
bonds (distance) P-C4' energy: -126.737
flat angles C4'-P-C4' energy: -138.021
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -183.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2088.399512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.399512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.399512 (E_RNA)
where:
Base-Base interactions energy: -1447.036
where: short stacking energy: -584.616
Base-Backbone interact. energy: -3.051
local terms energy: -638.312139
where:
bonds (distance) C4'-P energy: -117.226
bonds (distance) P-C4' energy: -111.244
flat angles C4'-P-C4' energy: -128.848
flat angles P-C4'-P energy: -91.375
tors. eta vs tors. theta energy: -189.619
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: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1930.637350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.637350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.637350 (E_RNA)
where:
Base-Base interactions energy: -1333.684
where: short stacking energy: -540.559
Base-Backbone interact. energy: -4.324
local terms energy: -592.629522
where:
bonds (distance) C4'-P energy: -103.600
bonds (distance) P-C4' energy: -104.326
flat angles C4'-P-C4' energy: -124.831
flat angles P-C4'-P energy: -98.331
tors. eta vs tors. theta energy: -161.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1839.729629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.729629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.729629 (E_RNA)
where:
Base-Base interactions energy: -1252.119
where: short stacking energy: -526.044
Base-Backbone interact. energy: 2.053
local terms energy: -589.663842
where:
bonds (distance) C4'-P energy: -113.055
bonds (distance) P-C4' energy: -122.110
flat angles C4'-P-C4' energy: -120.896
flat angles P-C4'-P energy: -84.402
tors. eta vs tors. theta energy: -149.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1574.302125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.302125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.302125 (E_RNA)
where:
Base-Base interactions energy: -1057.293
where: short stacking energy: -476.677
Base-Backbone interact. energy: 0.311
local terms energy: -517.319726
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -110.841
flat angles C4'-P-C4' energy: -109.036
flat angles P-C4'-P energy: -69.465
tors. eta vs tors. theta energy: -114.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1554.241370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.241370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.241370 (E_RNA)
where:
Base-Base interactions energy: -1048.049
where: short stacking energy: -455.592
Base-Backbone interact. energy: 1.599
local terms energy: -507.791072
where:
bonds (distance) C4'-P energy: -100.513
bonds (distance) P-C4' energy: -89.289
flat angles C4'-P-C4' energy: -119.337
flat angles P-C4'-P energy: -77.201
tors. eta vs tors. theta energy: -121.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1298.107099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.107099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.107099 (E_RNA)
where:
Base-Base interactions energy: -817.777
where: short stacking energy: -390.625
Base-Backbone interact. energy: -1.726
local terms energy: -478.604181
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -87.879
flat angles C4'-P-C4' energy: -111.443
flat angles P-C4'-P energy: -68.128
tors. eta vs tors. theta energy: -94.180
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: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -853.569027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.569027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.569027 (E_RNA)
where:
Base-Base interactions energy: -475.041
where: short stacking energy: -245.068
Base-Backbone interact. energy: -1.037
local terms energy: -377.490940
where:
bonds (distance) C4'-P energy: -96.714
bonds (distance) P-C4' energy: -95.263
flat angles C4'-P-C4' energy: -96.205
flat angles P-C4'-P energy: -59.969
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -580.610930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.610930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.610930 (E_RNA)
where:
Base-Base interactions energy: -271.109
where: short stacking energy: -150.221
Base-Backbone interact. energy: 0.717
local terms energy: -310.218721
where:
bonds (distance) C4'-P energy: -99.647
bonds (distance) P-C4' energy: -87.081
flat angles C4'-P-C4' energy: -83.053
flat angles P-C4'-P energy: -59.289
tors. eta vs tors. theta energy: 18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -486.795901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.795901 (E_RNA)
where:
Base-Base interactions energy: -166.954
where: short stacking energy: -121.763
Base-Backbone interact. energy: -0.531
local terms energy: -319.310635
where:
bonds (distance) C4'-P energy: -97.205
bonds (distance) P-C4' energy: -106.083
flat angles C4'-P-C4' energy: -86.555
flat angles P-C4'-P energy: -56.140
tors. eta vs tors. theta energy: 26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2112.745128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.745128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.745128 (E_RNA)
where:
Base-Base interactions energy: -1456.731
where: short stacking energy: -622.371
Base-Backbone interact. energy: -3.526
local terms energy: -652.488891
where:
bonds (distance) C4'-P energy: -122.857
bonds (distance) P-C4' energy: -124.502
flat angles C4'-P-C4' energy: -139.154
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -184.790
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2094.806782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.806782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.806782 (E_RNA)
where:
Base-Base interactions energy: -1449.763
where: short stacking energy: -625.955
Base-Backbone interact. energy: -2.541
local terms energy: -642.503011
where:
bonds (distance) C4'-P energy: -101.791
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -139.697
flat angles P-C4'-P energy: -96.505
tors. eta vs tors. theta energy: -182.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1951.155498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.155498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.155498 (E_RNA)
where:
Base-Base interactions energy: -1342.636
where: short stacking energy: -560.976
Base-Backbone interact. energy: -0.053
local terms energy: -608.466625
where:
bonds (distance) C4'-P energy: -123.094
bonds (distance) P-C4' energy: -112.586
flat angles C4'-P-C4' energy: -138.487
flat angles P-C4'-P energy: -84.964
tors. eta vs tors. theta energy: -149.336
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1874.247861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.247861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.247861 (E_RNA)
where:
Base-Base interactions energy: -1278.816
where: short stacking energy: -512.598
Base-Backbone interact. energy: -2.019
local terms energy: -593.413533
where:
bonds (distance) C4'-P energy: -114.365
bonds (distance) P-C4' energy: -114.097
flat angles C4'-P-C4' energy: -126.118
flat angles P-C4'-P energy: -80.969
tors. eta vs tors. theta energy: -157.864
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: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1620.920135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.920135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.920135 (E_RNA)
where:
Base-Base interactions energy: -1064.232
where: short stacking energy: -458.098
Base-Backbone interact. energy: -2.900
local terms energy: -553.788536
where:
bonds (distance) C4'-P energy: -103.468
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -116.668
flat angles P-C4'-P energy: -80.247
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1517.998105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.998105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.998105 (E_RNA)
where:
Base-Base interactions energy: -994.025
where: short stacking energy: -427.930
Base-Backbone interact. energy: -2.212
local terms energy: -521.761812
where:
bonds (distance) C4'-P energy: -120.301
bonds (distance) P-C4' energy: -110.831
flat angles C4'-P-C4' energy: -103.812
flat angles P-C4'-P energy: -68.137
tors. eta vs tors. theta energy: -118.681
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: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1317.499070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.499070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.499070 (E_RNA)
where:
Base-Base interactions energy: -836.033
where: short stacking energy: -401.289
Base-Backbone interact. energy: 0.515
local terms energy: -481.981402
where:
bonds (distance) C4'-P energy: -90.118
bonds (distance) P-C4' energy: -94.287
flat angles C4'-P-C4' energy: -104.047
flat angles P-C4'-P energy: -79.564
tors. eta vs tors. theta energy: -113.966
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: 217
Temperature: 1.250000
Total energy: -879.575592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.575592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.575592 (E_RNA)
where:
Base-Base interactions energy: -498.949
where: short stacking energy: -236.672
Base-Backbone interact. energy: 0.185
local terms energy: -380.811594
where:
bonds (distance) C4'-P energy: -80.751
bonds (distance) P-C4' energy: -104.803
flat angles C4'-P-C4' energy: -107.239
flat angles P-C4'-P energy: -70.177
tors. eta vs tors. theta energy: -17.841
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: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -559.589926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.589926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.589926 (E_RNA)
where:
Base-Base interactions energy: -196.383
where: short stacking energy: -133.052
Base-Backbone interact. energy: 2.394
local terms energy: -365.601340
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -95.528
flat angles P-C4'-P energy: -60.880
tors. eta vs tors. theta energy: 3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -471.207604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.207604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.207604 (E_RNA)
where:
Base-Base interactions energy: -178.133
where: short stacking energy: -117.604
Base-Backbone interact. energy: -1.174
local terms energy: -291.900541
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -120.532
flat angles C4'-P-C4' energy: -75.950
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: 41.217
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2102.729628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.729628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.729628 (E_RNA)
where:
Base-Base interactions energy: -1453.349
where: short stacking energy: -598.971
Base-Backbone interact. energy: -0.599
local terms energy: -648.781610
where:
bonds (distance) C4'-P energy: -116.405
bonds (distance) P-C4' energy: -121.213
flat angles C4'-P-C4' energy: -141.152
flat angles P-C4'-P energy: -82.727
tors. eta vs tors. theta energy: -187.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2050.068709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.068709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.068709 (E_RNA)
where:
Base-Base interactions energy: -1406.631
where: short stacking energy: -597.990
Base-Backbone interact. energy: -5.734
local terms energy: -637.703991
where:
bonds (distance) C4'-P energy: -115.183
bonds (distance) P-C4' energy: -119.725
flat angles C4'-P-C4' energy: -137.318
flat angles P-C4'-P energy: -91.813
tors. eta vs tors. theta energy: -173.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1991.898644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.898644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.898644 (E_RNA)
where:
Base-Base interactions energy: -1419.306
where: short stacking energy: -574.780
Base-Backbone interact. energy: -2.607
local terms energy: -569.984977
where:
bonds (distance) C4'-P energy: -105.710
bonds (distance) P-C4' energy: -103.696
flat angles C4'-P-C4' energy: -129.806
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -162.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1847.351578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.351578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.351578 (E_RNA)
where:
Base-Base interactions energy: -1259.837
where: short stacking energy: -497.732
Base-Backbone interact. energy: 2.255
local terms energy: -589.769536
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -107.856
flat angles C4'-P-C4' energy: -136.358
flat angles P-C4'-P energy: -70.123
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: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1610.873923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.873923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.873923 (E_RNA)
where:
Base-Base interactions energy: -1034.300
where: short stacking energy: -443.727
Base-Backbone interact. energy: -2.733
local terms energy: -573.840690
where:
bonds (distance) C4'-P energy: -133.330
bonds (distance) P-C4' energy: -112.673
flat angles C4'-P-C4' energy: -112.617
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -140.352
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1475.195555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.195555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.195555 (E_RNA)
where:
Base-Base interactions energy: -974.063
where: short stacking energy: -418.086
Base-Backbone interact. energy: 2.282
local terms energy: -503.414954
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -92.730
flat angles C4'-P-C4' energy: -112.380
flat angles P-C4'-P energy: -84.219
tors. eta vs tors. theta energy: -122.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1353.990166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.990166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.990166 (E_RNA)
where:
Base-Base interactions energy: -855.073
where: short stacking energy: -399.427
Base-Backbone interact. energy: -1.375
local terms energy: -497.542951
where:
bonds (distance) C4'-P energy: -109.633
bonds (distance) P-C4' energy: -104.201
flat angles C4'-P-C4' energy: -116.284
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -102.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -803.302404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.302404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.302404 (E_RNA)
where:
Base-Base interactions energy: -457.985
where: short stacking energy: -203.813
Base-Backbone interact. energy: 0.478
local terms energy: -345.795188
where:
bonds (distance) C4'-P energy: -84.532
bonds (distance) P-C4' energy: -93.193
flat angles C4'-P-C4' energy: -110.736
flat angles P-C4'-P energy: -51.828
tors. eta vs tors. theta energy: -5.506
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -585.816341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.816341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.816341 (E_RNA)
where:
Base-Base interactions energy: -261.412
where: short stacking energy: -162.037
Base-Backbone interact. energy: 2.833
local terms energy: -327.237527
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -108.969
flat angles C4'-P-C4' energy: -64.492
flat angles P-C4'-P energy: -63.084
tors. eta vs tors. theta energy: 2.649
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -456.137762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.137762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.137762 (E_RNA)
where:
Base-Base interactions energy: -149.336
where: short stacking energy: -125.472
Base-Backbone interact. energy: -2.384
local terms energy: -304.418344
where:
bonds (distance) C4'-P energy: -79.419
bonds (distance) P-C4' energy: -106.085
flat angles C4'-P-C4' energy: -80.016
flat angles P-C4'-P energy: -62.067
tors. eta vs tors. theta energy: 23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2094.645844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.645844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.645844 (E_RNA)
where:
Base-Base interactions energy: -1426.048
where: short stacking energy: -590.841
Base-Backbone interact. energy: -1.672
local terms energy: -666.926224
where:
bonds (distance) C4'-P energy: -123.998
bonds (distance) P-C4' energy: -120.971
flat angles C4'-P-C4' energy: -144.459
flat angles P-C4'-P energy: -94.376
tors. eta vs tors. theta energy: -183.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2044.246170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.246170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.246170 (E_RNA)
where:
Base-Base interactions energy: -1404.783
where: short stacking energy: -602.423
Base-Backbone interact. energy: -0.656
local terms energy: -638.807013
where:
bonds (distance) C4'-P energy: -111.881
bonds (distance) P-C4' energy: -122.835
flat angles C4'-P-C4' energy: -127.605
flat angles P-C4'-P energy: -104.794
tors. eta vs tors. theta energy: -171.692
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1984.890768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.890768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.890768 (E_RNA)
where:
Base-Base interactions energy: -1360.932
where: short stacking energy: -557.106
Base-Backbone interact. energy: -3.340
local terms energy: -620.618778
where:
bonds (distance) C4'-P energy: -121.673
bonds (distance) P-C4' energy: -105.237
flat angles C4'-P-C4' energy: -129.880
flat angles P-C4'-P energy: -98.846
tors. eta vs tors. theta energy: -164.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1872.448820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.448820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.448820 (E_RNA)
where:
Base-Base interactions energy: -1268.437
where: short stacking energy: -511.706
Base-Backbone interact. energy: -3.784
local terms energy: -600.227632
where:
bonds (distance) C4'-P energy: -96.055
bonds (distance) P-C4' energy: -111.671
flat angles C4'-P-C4' energy: -142.211
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -171.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1608.960210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.960210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.960210 (E_RNA)
where:
Base-Base interactions energy: -1075.304
where: short stacking energy: -492.039
Base-Backbone interact. energy: -0.678
local terms energy: -532.978838
where:
bonds (distance) C4'-P energy: -72.837
bonds (distance) P-C4' energy: -126.422
flat angles C4'-P-C4' energy: -126.395
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -129.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1477.103310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.103310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.103310 (E_RNA)
where:
Base-Base interactions energy: -975.782
where: short stacking energy: -423.666
Base-Backbone interact. energy: 1.796
local terms energy: -503.117446
where:
bonds (distance) C4'-P energy: -92.614
bonds (distance) P-C4' energy: -119.729
flat angles C4'-P-C4' energy: -118.726
flat angles P-C4'-P energy: -63.600
tors. eta vs tors. theta energy: -108.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1338.878350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.878350 (E_RNA)
where:
Base-Base interactions energy: -862.645
where: short stacking energy: -374.407
Base-Backbone interact. energy: -0.437
local terms energy: -475.796056
where:
bonds (distance) C4'-P energy: -96.593
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -116.611
flat angles P-C4'-P energy: -65.482
tors. eta vs tors. theta energy: -92.344
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: 219
Temperature: 1.250000
Total energy: -894.932235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.932235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.932235 (E_RNA)
where:
Base-Base interactions energy: -509.445
where: short stacking energy: -221.687
Base-Backbone interact. energy: 0.545
local terms energy: -386.032534
where:
bonds (distance) C4'-P energy: -104.647
bonds (distance) P-C4' energy: -103.739
flat angles C4'-P-C4' energy: -100.155
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: -13.466
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -604.923340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.923340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.923340 (E_RNA)
where:
Base-Base interactions energy: -250.295
where: short stacking energy: -167.795
Base-Backbone interact. energy: -2.255
local terms energy: -352.373072
where:
bonds (distance) C4'-P energy: -89.405
bonds (distance) P-C4' energy: -107.397
flat angles C4'-P-C4' energy: -96.786
flat angles P-C4'-P energy: -65.382
tors. eta vs tors. theta energy: 6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -465.277513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.277513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.277513 (E_RNA)
where:
Base-Base interactions energy: -179.632
where: short stacking energy: -133.099
Base-Backbone interact. energy: -0.675
local terms energy: -284.970323
where:
bonds (distance) C4'-P energy: -83.771
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -28.033
tors. eta vs tors. theta energy: 0.901
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2086.310131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.310131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.310131 (E_RNA)
where:
Base-Base interactions energy: -1421.963
where: short stacking energy: -588.699
Base-Backbone interact. energy: -3.269
local terms energy: -661.078054
where:
bonds (distance) C4'-P energy: -123.722
bonds (distance) P-C4' energy: -124.604
flat angles C4'-P-C4' energy: -143.329
flat angles P-C4'-P energy: -94.369
tors. eta vs tors. theta energy: -175.054
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2056.832707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.832707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.832707 (E_RNA)
where:
Base-Base interactions energy: -1408.430
where: short stacking energy: -602.355
Base-Backbone interact. energy: -0.284
local terms energy: -648.119089
where:
bonds (distance) C4'-P energy: -115.190
bonds (distance) P-C4' energy: -127.413
flat angles C4'-P-C4' energy: -127.909
flat angles P-C4'-P energy: -99.306
tors. eta vs tors. theta energy: -178.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1960.453074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.453074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.453074 (E_RNA)
where:
Base-Base interactions energy: -1360.218
where: short stacking energy: -567.146
Base-Backbone interact. energy: 1.111
local terms energy: -601.345897
where:
bonds (distance) C4'-P energy: -111.694
bonds (distance) P-C4' energy: -108.243
flat angles C4'-P-C4' energy: -127.268
flat angles P-C4'-P energy: -88.725
tors. eta vs tors. theta energy: -165.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1810.004242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.004242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.004242 (E_RNA)
where:
Base-Base interactions energy: -1209.622
where: short stacking energy: -503.107
Base-Backbone interact. energy: -5.177
local terms energy: -595.205315
where:
bonds (distance) C4'-P energy: -108.684
bonds (distance) P-C4' energy: -118.826
flat angles C4'-P-C4' energy: -141.343
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -148.407
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: 220
Temperature: 1.100000
Total energy: -1583.373692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.373692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.373692 (E_RNA)
where:
Base-Base interactions energy: -1030.604
where: short stacking energy: -454.450
Base-Backbone interact. energy: -1.389
local terms energy: -551.380335
where:
bonds (distance) C4'-P energy: -109.330
bonds (distance) P-C4' energy: -114.487
flat angles C4'-P-C4' energy: -124.577
flat angles P-C4'-P energy: -81.524
tors. eta vs tors. theta energy: -121.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1503.812561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.812561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.812561 (E_RNA)
where:
Base-Base interactions energy: -973.035
where: short stacking energy: -417.269
Base-Backbone interact. energy: -0.472
local terms energy: -530.304916
where:
bonds (distance) C4'-P energy: -93.986
bonds (distance) P-C4' energy: -120.089
flat angles C4'-P-C4' energy: -114.537
flat angles P-C4'-P energy: -91.647
tors. eta vs tors. theta energy: -110.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1368.727137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.727137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.727137 (E_RNA)
where:
Base-Base interactions energy: -868.379
where: short stacking energy: -412.368
Base-Backbone interact. energy: -1.695
local terms energy: -498.653205
where:
bonds (distance) C4'-P energy: -108.917
bonds (distance) P-C4' energy: -110.885
flat angles C4'-P-C4' energy: -111.723
flat angles P-C4'-P energy: -71.479
tors. eta vs tors. theta energy: -95.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -812.584199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.584199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.584199 (E_RNA)
where:
Base-Base interactions energy: -455.167
where: short stacking energy: -212.082
Base-Backbone interact. energy: -0.358
local terms energy: -357.059139
where:
bonds (distance) C4'-P energy: -89.858
bonds (distance) P-C4' energy: -105.006
flat angles C4'-P-C4' energy: -104.307
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -15.011
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: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -582.867571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.867571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.867571 (E_RNA)
where:
Base-Base interactions energy: -252.459
where: short stacking energy: -153.727
Base-Backbone interact. energy: -0.113
local terms energy: -330.295661
where:
bonds (distance) C4'-P energy: -92.829
bonds (distance) P-C4' energy: -114.399
flat angles C4'-P-C4' energy: -90.942
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: 7.278
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: 220
Temperature: 1.350000
Total energy: -472.679625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.679625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.679625 (E_RNA)
where:
Base-Base interactions energy: -157.175
where: short stacking energy: -136.493
Base-Backbone interact. energy: -1.219
local terms energy: -314.284706
where:
bonds (distance) C4'-P energy: -92.988
bonds (distance) P-C4' energy: -80.624
flat angles C4'-P-C4' energy: -93.426
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: 6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2096.366946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.366946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.366946 (E_RNA)
where:
Base-Base interactions energy: -1436.490
where: short stacking energy: -593.695
Base-Backbone interact. energy: 1.272
local terms energy: -661.149038
where:
bonds (distance) C4'-P energy: -120.357
bonds (distance) P-C4' energy: -127.569
flat angles C4'-P-C4' energy: -127.646
flat angles P-C4'-P energy: -97.087
tors. eta vs tors. theta energy: -188.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2039.878381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.878381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.878381 (E_RNA)
where:
Base-Base interactions energy: -1376.914
where: short stacking energy: -573.888
Base-Backbone interact. energy: -4.991
local terms energy: -657.973622
where:
bonds (distance) C4'-P energy: -117.978
bonds (distance) P-C4' energy: -125.125
flat angles C4'-P-C4' energy: -135.123
flat angles P-C4'-P energy: -104.234
tors. eta vs tors. theta energy: -175.514
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1949.474556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.474556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.474556 (E_RNA)
where:
Base-Base interactions energy: -1366.643
where: short stacking energy: -551.825
Base-Backbone interact. energy: -1.208
local terms energy: -581.623507
where:
bonds (distance) C4'-P energy: -92.478
bonds (distance) P-C4' energy: -106.350
flat angles C4'-P-C4' energy: -137.664
flat angles P-C4'-P energy: -79.545
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1768.114662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.114662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.114662 (E_RNA)
where:
Base-Base interactions energy: -1188.574
where: short stacking energy: -503.134
Base-Backbone interact. energy: 0.349
local terms energy: -579.889396
where:
bonds (distance) C4'-P energy: -108.552
bonds (distance) P-C4' energy: -112.744
flat angles C4'-P-C4' energy: -126.366
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -149.002
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: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1613.281854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.281854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.281854 (E_RNA)
where:
Base-Base interactions energy: -1070.231
where: short stacking energy: -489.817
Base-Backbone interact. energy: -3.915
local terms energy: -539.136405
where:
bonds (distance) C4'-P energy: -94.319
bonds (distance) P-C4' energy: -122.006
flat angles C4'-P-C4' energy: -122.681
flat angles P-C4'-P energy: -67.363
tors. eta vs tors. theta energy: -132.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1460.581927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.581927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.581927 (E_RNA)
where:
Base-Base interactions energy: -991.050
where: short stacking energy: -415.212
Base-Backbone interact. energy: 1.241
local terms energy: -470.772475
where:
bonds (distance) C4'-P energy: -108.534
bonds (distance) P-C4' energy: -99.528
flat angles C4'-P-C4' energy: -88.732
flat angles P-C4'-P energy: -73.642
tors. eta vs tors. theta energy: -100.337
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: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1353.031362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.031362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.031362 (E_RNA)
where:
Base-Base interactions energy: -869.606
where: short stacking energy: -409.549
Base-Backbone interact. energy: 5.650
local terms energy: -489.075074
where:
bonds (distance) C4'-P energy: -93.823
bonds (distance) P-C4' energy: -101.433
flat angles C4'-P-C4' energy: -108.263
flat angles P-C4'-P energy: -78.589
tors. eta vs tors. theta energy: -106.967
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -852.158434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.158434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.158434 (E_RNA)
where:
Base-Base interactions energy: -485.966
where: short stacking energy: -246.034
Base-Backbone interact. energy: 0.327
local terms energy: -366.519260
where:
bonds (distance) C4'-P energy: -99.549
bonds (distance) P-C4' energy: -112.025
flat angles C4'-P-C4' energy: -80.415
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -29.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -636.054312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.054312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.054312 (E_RNA)
where:
Base-Base interactions energy: -286.290
where: short stacking energy: -163.964
Base-Backbone interact. energy: 2.082
local terms energy: -351.846605
where:
bonds (distance) C4'-P energy: -112.537
bonds (distance) P-C4' energy: -94.651
flat angles C4'-P-C4' energy: -77.177
flat angles P-C4'-P energy: -62.789
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -464.291730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.291730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.291730 (E_RNA)
where:
Base-Base interactions energy: -170.038
where: short stacking energy: -142.168
Base-Backbone interact. energy: -0.310
local terms energy: -293.943653
where:
bonds (distance) C4'-P energy: -89.954
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2085.281405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.281405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.281405 (E_RNA)
where:
Base-Base interactions energy: -1448.673
where: short stacking energy: -597.797
Base-Backbone interact. energy: -1.637
local terms energy: -634.971419
where:
bonds (distance) C4'-P energy: -118.349
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -134.634
flat angles P-C4'-P energy: -95.262
tors. eta vs tors. theta energy: -172.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2032.719411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.719411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.719411 (E_RNA)
where:
Base-Base interactions energy: -1389.714
where: short stacking energy: -596.804
Base-Backbone interact. energy: -0.569
local terms energy: -642.436661
where:
bonds (distance) C4'-P energy: -106.197
bonds (distance) P-C4' energy: -121.502
flat angles C4'-P-C4' energy: -141.869
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -178.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1954.401172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.401172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.401172 (E_RNA)
where:
Base-Base interactions energy: -1314.630
where: short stacking energy: -550.706
Base-Backbone interact. energy: -0.389
local terms energy: -639.381446
where:
bonds (distance) C4'-P energy: -131.665
bonds (distance) P-C4' energy: -126.924
flat angles C4'-P-C4' energy: -131.051
flat angles P-C4'-P energy: -83.642
tors. eta vs tors. theta energy: -166.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1787.843507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.843507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.843507 (E_RNA)
where:
Base-Base interactions energy: -1205.782
where: short stacking energy: -522.100
Base-Backbone interact. energy: 1.522
local terms energy: -583.583499
where:
bonds (distance) C4'-P energy: -99.327
bonds (distance) P-C4' energy: -123.503
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -157.478
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: 222
Temperature: 1.100000
Total energy: -1605.309881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.309881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.309881 (E_RNA)
where:
Base-Base interactions energy: -1052.854
where: short stacking energy: -455.775
Base-Backbone interact. energy: 3.576
local terms energy: -556.031526
where:
bonds (distance) C4'-P energy: -105.247
bonds (distance) P-C4' energy: -127.371
flat angles C4'-P-C4' energy: -122.099
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -120.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1472.659437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.659437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.659437 (E_RNA)
where:
Base-Base interactions energy: -968.451
where: short stacking energy: -397.091
Base-Backbone interact. energy: -2.104
local terms energy: -502.104555
where:
bonds (distance) C4'-P energy: -95.046
bonds (distance) P-C4' energy: -104.065
flat angles C4'-P-C4' energy: -108.929
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: -120.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1347.556049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.556049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.556049 (E_RNA)
where:
Base-Base interactions energy: -877.827
where: short stacking energy: -368.834
Base-Backbone interact. energy: -0.940
local terms energy: -468.788649
where:
bonds (distance) C4'-P energy: -99.587
bonds (distance) P-C4' energy: -114.248
flat angles C4'-P-C4' energy: -102.165
flat angles P-C4'-P energy: -59.614
tors. eta vs tors. theta energy: -93.176
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: 222
Temperature: 1.250000
Total energy: -838.014171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.014171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.014171 (E_RNA)
where:
Base-Base interactions energy: -463.528
where: short stacking energy: -245.291
Base-Backbone interact. energy: -0.260
local terms energy: -374.226898
where:
bonds (distance) C4'-P energy: -98.210
bonds (distance) P-C4' energy: -104.475
flat angles C4'-P-C4' energy: -105.831
flat angles P-C4'-P energy: -40.250
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -612.619270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.619270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.619270 (E_RNA)
where:
Base-Base interactions energy: -293.200
where: short stacking energy: -190.168
Base-Backbone interact. energy: -1.760
local terms energy: -317.659880
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -107.209
flat angles C4'-P-C4' energy: -86.388
flat angles P-C4'-P energy: -50.649
tors. eta vs tors. theta energy: 1.270
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -549.236260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.236260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.236260 (E_RNA)
where:
Base-Base interactions energy: -231.922
where: short stacking energy: -164.875
Base-Backbone interact. energy: 2.429
local terms energy: -319.743027
where:
bonds (distance) C4'-P energy: -82.949
bonds (distance) P-C4' energy: -89.402
flat angles C4'-P-C4' energy: -91.358
flat angles P-C4'-P energy: -59.254
tors. eta vs tors. theta energy: 3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2120.107086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.107086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.107086 (E_RNA)
where:
Base-Base interactions energy: -1456.878
where: short stacking energy: -616.920
Base-Backbone interact. energy: -1.169
local terms energy: -662.060292
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -126.606
flat angles C4'-P-C4' energy: -140.473
flat angles P-C4'-P energy: -94.507
tors. eta vs tors. theta energy: -190.463
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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1999.776935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.776935 (E_RNA)
where:
Base-Base interactions energy: -1382.487
where: short stacking energy: -563.280
Base-Backbone interact. energy: -1.167
local terms energy: -616.123152
where:
bonds (distance) C4'-P energy: -103.420
bonds (distance) P-C4' energy: -123.272
flat angles C4'-P-C4' energy: -134.698
flat angles P-C4'-P energy: -86.708
tors. eta vs tors. theta energy: -168.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2038.079834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.079834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.079834 (E_RNA)
where:
Base-Base interactions energy: -1397.730
where: short stacking energy: -583.368
Base-Backbone interact. energy: -0.777
local terms energy: -639.572734
where:
bonds (distance) C4'-P energy: -114.150
bonds (distance) P-C4' energy: -120.373
flat angles C4'-P-C4' energy: -137.987
flat angles P-C4'-P energy: -87.391
tors. eta vs tors. theta energy: -179.671
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: 223
Temperature: 1.050000
Total energy: -1786.730789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.730789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.730789 (E_RNA)
where:
Base-Base interactions energy: -1211.211
where: short stacking energy: -521.236
Base-Backbone interact. energy: -0.493
local terms energy: -575.026306
where:
bonds (distance) C4'-P energy: -86.733
bonds (distance) P-C4' energy: -106.349
flat angles C4'-P-C4' energy: -136.235
flat angles P-C4'-P energy: -88.655
tors. eta vs tors. theta energy: -157.055
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: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1590.836660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.836660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.836660 (E_RNA)
where:
Base-Base interactions energy: -1021.603
where: short stacking energy: -445.432
Base-Backbone interact. energy: 2.226
local terms energy: -571.459919
where:
bonds (distance) C4'-P energy: -120.038
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -116.168
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -131.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1487.715142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.715142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.715142 (E_RNA)
where:
Base-Base interactions energy: -966.414
where: short stacking energy: -415.738
Base-Backbone interact. energy: -0.446
local terms energy: -520.854881
where:
bonds (distance) C4'-P energy: -103.421
bonds (distance) P-C4' energy: -117.214
flat angles C4'-P-C4' energy: -116.329
flat angles P-C4'-P energy: -84.592
tors. eta vs tors. theta energy: -99.299
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: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1378.345464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.345464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.345464 (E_RNA)
where:
Base-Base interactions energy: -899.203
where: short stacking energy: -388.316
Base-Backbone interact. energy: -3.341
local terms energy: -475.801727
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -101.696
flat angles C4'-P-C4' energy: -116.846
flat angles P-C4'-P energy: -62.771
tors. eta vs tors. theta energy: -88.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -882.028931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.028931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.028931 (E_RNA)
where:
Base-Base interactions energy: -503.757
where: short stacking energy: -256.423
Base-Backbone interact. energy: -2.869
local terms energy: -375.402610
where:
bonds (distance) C4'-P energy: -104.452
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -105.157
flat angles P-C4'-P energy: -53.404
tors. eta vs tors. theta energy: -16.982
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: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -649.523189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.523189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.523189 (E_RNA)
where:
Base-Base interactions energy: -298.575
where: short stacking energy: -178.698
Base-Backbone interact. energy: 2.336
local terms energy: -353.283979
where:
bonds (distance) C4'-P energy: -97.607
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -82.139
flat angles P-C4'-P energy: -58.330
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: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -451.569925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.569925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.569925 (E_RNA)
where:
Base-Base interactions energy: -146.778
where: short stacking energy: -106.015
Base-Backbone interact. energy: 0.116
local terms energy: -304.908313
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -75.304
flat angles P-C4'-P energy: -57.625
tors. eta vs tors. theta energy: 32.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2127.146841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.146841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.146841 (E_RNA)
where:
Base-Base interactions energy: -1473.096
where: short stacking energy: -622.388
Base-Backbone interact. energy: -1.345
local terms energy: -652.706111
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -120.431
flat angles C4'-P-C4' energy: -136.107
flat angles P-C4'-P energy: -90.265
tors. eta vs tors. theta energy: -191.295
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: 224
Temperature: 0.950000
Total energy: -2035.908728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.908728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.908728 (E_RNA)
where:
Base-Base interactions energy: -1405.910
where: short stacking energy: -591.042
Base-Backbone interact. energy: -4.465
local terms energy: -625.533171
where:
bonds (distance) C4'-P energy: -108.153
bonds (distance) P-C4' energy: -113.861
flat angles C4'-P-C4' energy: -142.138
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -170.105
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2003.618034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.618034 (E_RNA)
where:
Base-Base interactions energy: -1388.308
where: short stacking energy: -577.726
Base-Backbone interact. energy: -2.510
local terms energy: -612.799735
where:
bonds (distance) C4'-P energy: -113.651
bonds (distance) P-C4' energy: -98.586
flat angles C4'-P-C4' energy: -135.320
flat angles P-C4'-P energy: -93.785
tors. eta vs tors. theta energy: -171.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1802.113606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.113606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.113606 (E_RNA)
where:
Base-Base interactions energy: -1221.870
where: short stacking energy: -487.806
Base-Backbone interact. energy: -3.169
local terms energy: -577.074793
where:
bonds (distance) C4'-P energy: -102.315
bonds (distance) P-C4' energy: -117.617
flat angles C4'-P-C4' energy: -128.188
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -145.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1612.227146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.227146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.227146 (E_RNA)
where:
Base-Base interactions energy: -1055.453
where: short stacking energy: -475.488
Base-Backbone interact. energy: -1.981
local terms energy: -554.793355
where:
bonds (distance) C4'-P energy: -113.624
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -110.035
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -135.141
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: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1446.616467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.616467 (E_RNA)
where:
Base-Base interactions energy: -947.254
where: short stacking energy: -397.873
Base-Backbone interact. energy: -1.441
local terms energy: -497.921185
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -111.364
flat angles C4'-P-C4' energy: -120.235
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -103.943
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: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1372.550099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.550099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.550099 (E_RNA)
where:
Base-Base interactions energy: -901.048
where: short stacking energy: -399.280
Base-Backbone interact. energy: -3.848
local terms energy: -467.653684
where:
bonds (distance) C4'-P energy: -82.652
bonds (distance) P-C4' energy: -102.403
flat angles C4'-P-C4' energy: -118.154
flat angles P-C4'-P energy: -62.602
tors. eta vs tors. theta energy: -101.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -887.351601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.351601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.351601 (E_RNA)
where:
Base-Base interactions energy: -471.545
where: short stacking energy: -235.310
Base-Backbone interact. energy: 0.470
local terms energy: -416.276401
where:
bonds (distance) C4'-P energy: -96.429
bonds (distance) P-C4' energy: -96.363
flat angles C4'-P-C4' energy: -105.631
flat angles P-C4'-P energy: -71.680
tors. eta vs tors. theta energy: -46.173
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: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -737.011885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.011885 (E_RNA)
where:
Base-Base interactions energy: -377.662
where: short stacking energy: -202.864
Base-Backbone interact. energy: -1.234
local terms energy: -358.116058
where:
bonds (distance) C4'-P energy: -82.832
bonds (distance) P-C4' energy: -111.958
flat angles C4'-P-C4' energy: -98.469
flat angles P-C4'-P energy: -51.087
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -467.807117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.807117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.807117 (E_RNA)
where:
Base-Base interactions energy: -164.009
where: short stacking energy: -133.171
Base-Backbone interact. energy: 6.579
local terms energy: -310.377048
where:
bonds (distance) C4'-P energy: -86.072
bonds (distance) P-C4' energy: -119.138
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: 20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2132.102196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.102196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.102196 (E_RNA)
where:
Base-Base interactions energy: -1464.410
where: short stacking energy: -617.921
Base-Backbone interact. energy: -3.720
local terms energy: -663.972470
where:
bonds (distance) C4'-P energy: -120.982
bonds (distance) P-C4' energy: -111.695
flat angles C4'-P-C4' energy: -139.468
flat angles P-C4'-P energy: -102.012
tors. eta vs tors. theta energy: -189.816
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2083.160182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.160182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.160182 (E_RNA)
where:
Base-Base interactions energy: -1454.252
where: short stacking energy: -590.499
Base-Backbone interact. energy: -1.918
local terms energy: -626.990491
where:
bonds (distance) C4'-P energy: -118.066
bonds (distance) P-C4' energy: -106.779
flat angles C4'-P-C4' energy: -131.937
flat angles P-C4'-P energy: -89.902
tors. eta vs tors. theta energy: -180.307
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: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1974.574661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.574661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.574661 (E_RNA)
where:
Base-Base interactions energy: -1348.208
where: short stacking energy: -554.527
Base-Backbone interact. energy: 1.286
local terms energy: -627.652809
where:
bonds (distance) C4'-P energy: -118.511
bonds (distance) P-C4' energy: -115.450
flat angles C4'-P-C4' energy: -131.533
flat angles P-C4'-P energy: -98.020
tors. eta vs tors. theta energy: -164.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1828.740778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.740778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.740778 (E_RNA)
where:
Base-Base interactions energy: -1215.694
where: short stacking energy: -490.970
Base-Backbone interact. energy: -4.392
local terms energy: -608.655389
where:
bonds (distance) C4'-P energy: -113.099
bonds (distance) P-C4' energy: -100.555
flat angles C4'-P-C4' energy: -133.784
flat angles P-C4'-P energy: -97.729
tors. eta vs tors. theta energy: -163.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1633.156898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.156898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.156898 (E_RNA)
where:
Base-Base interactions energy: -1047.368
where: short stacking energy: -464.155
Base-Backbone interact. energy: -0.065
local terms energy: -585.724280
where:
bonds (distance) C4'-P energy: -123.471
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -131.182
flat angles P-C4'-P energy: -85.517
tors. eta vs tors. theta energy: -144.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1367.352577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.352577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.352577 (E_RNA)
where:
Base-Base interactions energy: -878.710
where: short stacking energy: -375.675
Base-Backbone interact. energy: -3.484
local terms energy: -485.158752
where:
bonds (distance) C4'-P energy: -103.223
bonds (distance) P-C4' energy: -98.908
flat angles C4'-P-C4' energy: -113.687
flat angles P-C4'-P energy: -79.868
tors. eta vs tors. theta energy: -89.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1375.470400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.470400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.470400 (E_RNA)
where:
Base-Base interactions energy: -868.547
where: short stacking energy: -388.662
Base-Backbone interact. energy: -1.257
local terms energy: -505.666211
where:
bonds (distance) C4'-P energy: -111.841
bonds (distance) P-C4' energy: -123.653
flat angles C4'-P-C4' energy: -107.773
flat angles P-C4'-P energy: -76.208
tors. eta vs tors. theta energy: -86.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -877.673574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.673574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.673574 (E_RNA)
where:
Base-Base interactions energy: -487.159
where: short stacking energy: -238.042
Base-Backbone interact. energy: 6.500
local terms energy: -397.015226
where:
bonds (distance) C4'-P energy: -106.352
bonds (distance) P-C4' energy: -114.066
flat angles C4'-P-C4' energy: -112.487
flat angles P-C4'-P energy: -56.082
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -781.237270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.237270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.237270 (E_RNA)
where:
Base-Base interactions energy: -364.685
where: short stacking energy: -189.127
Base-Backbone interact. energy: -1.863
local terms energy: -414.688709
where:
bonds (distance) C4'-P energy: -97.098
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -112.428
flat angles P-C4'-P energy: -66.233
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -494.946241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.946241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.946241 (E_RNA)
where:
Base-Base interactions energy: -161.529
where: short stacking energy: -140.144
Base-Backbone interact. energy: -1.511
local terms energy: -331.906068
where:
bonds (distance) C4'-P energy: -101.767
bonds (distance) P-C4' energy: -122.240
flat angles C4'-P-C4' energy: -91.821
flat angles P-C4'-P energy: -52.008
tors. eta vs tors. theta energy: 35.929
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: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2115.009348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.009348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.009348 (E_RNA)
where:
Base-Base interactions energy: -1451.020
where: short stacking energy: -601.982
Base-Backbone interact. energy: -3.825
local terms energy: -660.164257
where:
bonds (distance) C4'-P energy: -130.457
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -153.016
flat angles P-C4'-P energy: -75.363
tors. eta vs tors. theta energy: -179.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2107.586655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.586655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.586655 (E_RNA)
where:
Base-Base interactions energy: -1467.462
where: short stacking energy: -600.965
Base-Backbone interact. energy: 2.392
local terms energy: -642.516952
where:
bonds (distance) C4'-P energy: -115.736
bonds (distance) P-C4' energy: -125.113
flat angles C4'-P-C4' energy: -138.602
flat angles P-C4'-P energy: -80.638
tors. eta vs tors. theta energy: -182.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1973.974860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.974860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.974860 (E_RNA)
where:
Base-Base interactions energy: -1367.578
where: short stacking energy: -550.327
Base-Backbone interact. energy: -2.332
local terms energy: -604.065029
where:
bonds (distance) C4'-P energy: -105.032
bonds (distance) P-C4' energy: -117.914
flat angles C4'-P-C4' energy: -136.469
flat angles P-C4'-P energy: -89.301
tors. eta vs tors. theta energy: -155.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1815.262842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.262842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.262842 (E_RNA)
where:
Base-Base interactions energy: -1215.687
where: short stacking energy: -502.570
Base-Backbone interact. energy: -2.753
local terms energy: -596.822621
where:
bonds (distance) C4'-P energy: -112.211
bonds (distance) P-C4' energy: -121.413
flat angles C4'-P-C4' energy: -128.463
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -150.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1599.754234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.754234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.754234 (E_RNA)
where:
Base-Base interactions energy: -1034.104
where: short stacking energy: -466.131
Base-Backbone interact. energy: -2.335
local terms energy: -563.315283
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -106.182
flat angles C4'-P-C4' energy: -129.304
flat angles P-C4'-P energy: -79.447
tors. eta vs tors. theta energy: -132.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1400.063595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.063595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.063595 (E_RNA)
where:
Base-Base interactions energy: -888.685
where: short stacking energy: -401.985
Base-Backbone interact. energy: -3.853
local terms energy: -507.525368
where:
bonds (distance) C4'-P energy: -106.131
bonds (distance) P-C4' energy: -118.096
flat angles C4'-P-C4' energy: -109.077
flat angles P-C4'-P energy: -66.462
tors. eta vs tors. theta energy: -107.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1328.872154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.872154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.872154 (E_RNA)
where:
Base-Base interactions energy: -836.065
where: short stacking energy: -371.994
Base-Backbone interact. energy: -2.263
local terms energy: -490.544179
where:
bonds (distance) C4'-P energy: -107.983
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -111.581
flat angles P-C4'-P energy: -66.284
tors. eta vs tors. theta energy: -102.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -787.798507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.798507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.798507 (E_RNA)
where:
Base-Base interactions energy: -406.762
where: short stacking energy: -215.448
Base-Backbone interact. energy: 3.753
local terms energy: -384.790137
where:
bonds (distance) C4'-P energy: -102.454
bonds (distance) P-C4' energy: -93.448
flat angles C4'-P-C4' energy: -105.223
flat angles P-C4'-P energy: -79.011
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -646.898770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.898770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.898770 (E_RNA)
where:
Base-Base interactions energy: -311.073
where: short stacking energy: -174.309
Base-Backbone interact. energy: 9.357
local terms energy: -345.182755
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -94.573
flat angles C4'-P-C4' energy: -100.568
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: 4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -462.005243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.005243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.005243 (E_RNA)
where:
Base-Base interactions energy: -159.543
where: short stacking energy: -134.616
Base-Backbone interact. energy: -1.767
local terms energy: -300.695866
where:
bonds (distance) C4'-P energy: -78.565
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -98.677
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: 22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2118.717039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.717039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.717039 (E_RNA)
where:
Base-Base interactions energy: -1457.070
where: short stacking energy: -612.998
Base-Backbone interact. energy: -0.999
local terms energy: -660.648106
where:
bonds (distance) C4'-P energy: -125.305
bonds (distance) P-C4' energy: -126.457
flat angles C4'-P-C4' energy: -131.353
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -188.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2093.755535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.755535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.755535 (E_RNA)
where:
Base-Base interactions energy: -1437.780
where: short stacking energy: -589.984
Base-Backbone interact. energy: -2.321
local terms energy: -653.654994
where:
bonds (distance) C4'-P energy: -119.492
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -132.560
flat angles P-C4'-P energy: -97.660
tors. eta vs tors. theta energy: -173.752
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: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1979.466054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.466054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.466054 (E_RNA)
where:
Base-Base interactions energy: -1372.792
where: short stacking energy: -543.695
Base-Backbone interact. energy: -1.226
local terms energy: -605.448252
where:
bonds (distance) C4'-P energy: -115.802
bonds (distance) P-C4' energy: -122.308
flat angles C4'-P-C4' energy: -128.323
flat angles P-C4'-P energy: -71.987
tors. eta vs tors. theta energy: -167.029
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: 227
Temperature: 1.050000
Total energy: -1826.444433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.444433 (E_RNA)
where:
Base-Base interactions energy: -1236.604
where: short stacking energy: -507.806
Base-Backbone interact. energy: 0.208
local terms energy: -590.048744
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -139.602
flat angles P-C4'-P energy: -75.008
tors. eta vs tors. theta energy: -152.092
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: 227
Temperature: 1.100000
Total energy: -1616.933058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.933058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.933058 (E_RNA)
where:
Base-Base interactions energy: -1029.976
where: short stacking energy: -455.429
Base-Backbone interact. energy: -3.040
local terms energy: -583.917366
where:
bonds (distance) C4'-P energy: -116.559
bonds (distance) P-C4' energy: -120.213
flat angles C4'-P-C4' energy: -126.180
flat angles P-C4'-P energy: -82.680
tors. eta vs tors. theta energy: -138.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1337.782287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.782287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.782287 (E_RNA)
where:
Base-Base interactions energy: -859.426
where: short stacking energy: -368.495
Base-Backbone interact. energy: -3.271
local terms energy: -475.084650
where:
bonds (distance) C4'-P energy: -88.128
bonds (distance) P-C4' energy: -93.599
flat angles C4'-P-C4' energy: -126.385
flat angles P-C4'-P energy: -77.328
tors. eta vs tors. theta energy: -89.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1380.262433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.262433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.262433 (E_RNA)
where:
Base-Base interactions energy: -886.610
where: short stacking energy: -402.553
Base-Backbone interact. energy: -0.038
local terms energy: -493.614308
where:
bonds (distance) C4'-P energy: -97.643
bonds (distance) P-C4' energy: -101.985
flat angles C4'-P-C4' energy: -114.049
flat angles P-C4'-P energy: -75.089
tors. eta vs tors. theta energy: -104.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -830.998438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.998438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.998438 (E_RNA)
where:
Base-Base interactions energy: -458.808
where: short stacking energy: -245.629
Base-Backbone interact. energy: 2.476
local terms energy: -374.666345
where:
bonds (distance) C4'-P energy: -104.279
bonds (distance) P-C4' energy: -99.879
flat angles C4'-P-C4' energy: -95.547
flat angles P-C4'-P energy: -47.872
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -702.554553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.554553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.554553 (E_RNA)
where:
Base-Base interactions energy: -359.164
where: short stacking energy: -191.091
Base-Backbone interact. energy: -0.756
local terms energy: -342.633750
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -100.093
flat angles C4'-P-C4' energy: -89.492
flat angles P-C4'-P energy: -65.106
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: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -481.602731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.602731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.602731 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -126.694
Base-Backbone interact. energy: -0.627
local terms energy: -339.508881
where:
bonds (distance) C4'-P energy: -85.650
bonds (distance) P-C4' energy: -122.007
flat angles C4'-P-C4' energy: -91.362
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: 22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2115.425678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.425678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.425678 (E_RNA)
where:
Base-Base interactions energy: -1449.483
where: short stacking energy: -623.749
Base-Backbone interact. energy: -2.886
local terms energy: -663.057562
where:
bonds (distance) C4'-P energy: -123.618
bonds (distance) P-C4' energy: -122.191
flat angles C4'-P-C4' energy: -134.978
flat angles P-C4'-P energy: -100.007
tors. eta vs tors. theta energy: -182.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2058.756240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.756240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.756240 (E_RNA)
where:
Base-Base interactions energy: -1453.627
where: short stacking energy: -572.212
Base-Backbone interact. energy: -0.030
local terms energy: -605.099208
where:
bonds (distance) C4'-P energy: -103.997
bonds (distance) P-C4' energy: -113.568
flat angles C4'-P-C4' energy: -133.667
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -165.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1964.231605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.231605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.231605 (E_RNA)
where:
Base-Base interactions energy: -1346.889
where: short stacking energy: -579.612
Base-Backbone interact. energy: -2.377
local terms energy: -614.965490
where:
bonds (distance) C4'-P energy: -119.832
bonds (distance) P-C4' energy: -108.639
flat angles C4'-P-C4' energy: -133.082
flat angles P-C4'-P energy: -89.109
tors. eta vs tors. theta energy: -164.303
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: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1780.549786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.549786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.549786 (E_RNA)
where:
Base-Base interactions energy: -1201.219
where: short stacking energy: -500.919
Base-Backbone interact. energy: -3.392
local terms energy: -575.938474
where:
bonds (distance) C4'-P energy: -95.300
bonds (distance) P-C4' energy: -125.588
flat angles C4'-P-C4' energy: -117.678
flat angles P-C4'-P energy: -78.063
tors. eta vs tors. theta energy: -159.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1626.478630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.478630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.478630 (E_RNA)
where:
Base-Base interactions energy: -1071.147
where: short stacking energy: -482.154
Base-Backbone interact. energy: -3.025
local terms energy: -552.306177
where:
bonds (distance) C4'-P energy: -95.853
bonds (distance) P-C4' energy: -105.872
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -85.499
tors. eta vs tors. theta energy: -145.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1287.829966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.829966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.829966 (E_RNA)
where:
Base-Base interactions energy: -816.516
where: short stacking energy: -386.995
Base-Backbone interact. energy: -0.181
local terms energy: -471.132667
where:
bonds (distance) C4'-P energy: -82.007
bonds (distance) P-C4' energy: -100.965
flat angles C4'-P-C4' energy: -122.388
flat angles P-C4'-P energy: -77.112
tors. eta vs tors. theta energy: -88.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1379.685883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.685883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.685883 (E_RNA)
where:
Base-Base interactions energy: -879.616
where: short stacking energy: -406.702
Base-Backbone interact. energy: -1.624
local terms energy: -498.446417
where:
bonds (distance) C4'-P energy: -116.061
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -125.931
flat angles P-C4'-P energy: -78.377
tors. eta vs tors. theta energy: -94.175
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -817.426253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.426253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.426253 (E_RNA)
where:
Base-Base interactions energy: -462.545
where: short stacking energy: -222.996
Base-Backbone interact. energy: -1.506
local terms energy: -353.374946
where:
bonds (distance) C4'-P energy: -106.960
bonds (distance) P-C4' energy: -99.499
flat angles C4'-P-C4' energy: -75.572
flat angles P-C4'-P energy: -61.836
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -716.987647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.987647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.987647 (E_RNA)
where:
Base-Base interactions energy: -380.750
where: short stacking energy: -205.110
Base-Backbone interact. energy: 4.851
local terms energy: -341.088954
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -92.687
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -57.556
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -458.288084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.288084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.288084 (E_RNA)
where:
Base-Base interactions energy: -148.240
where: short stacking energy: -120.521
Base-Backbone interact. energy: -1.042
local terms energy: -309.006798
where:
bonds (distance) C4'-P energy: -92.599
bonds (distance) P-C4' energy: -99.151
flat angles C4'-P-C4' energy: -94.491
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: 20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2128.741842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.741842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.741842 (E_RNA)
where:
Base-Base interactions energy: -1493.659
where: short stacking energy: -622.281
Base-Backbone interact. energy: -4.023
local terms energy: -631.059120
where:
bonds (distance) C4'-P energy: -120.915
bonds (distance) P-C4' energy: -107.577
flat angles C4'-P-C4' energy: -128.436
flat angles P-C4'-P energy: -92.400
tors. eta vs tors. theta energy: -181.731
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: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2096.860040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.860040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.860040 (E_RNA)
where:
Base-Base interactions energy: -1462.445
where: short stacking energy: -591.991
Base-Backbone interact. energy: 0.534
local terms energy: -634.948499
where:
bonds (distance) C4'-P energy: -115.232
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -131.186
flat angles P-C4'-P energy: -94.412
tors. eta vs tors. theta energy: -172.201
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1935.743984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.743984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.743984 (E_RNA)
where:
Base-Base interactions energy: -1333.990
where: short stacking energy: -564.782
Base-Backbone interact. energy: -0.360
local terms energy: -601.394370
where:
bonds (distance) C4'-P energy: -105.636
bonds (distance) P-C4' energy: -117.917
flat angles C4'-P-C4' energy: -129.663
flat angles P-C4'-P energy: -80.176
tors. eta vs tors. theta energy: -168.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1767.678230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.678230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.678230 (E_RNA)
where:
Base-Base interactions energy: -1188.649
where: short stacking energy: -489.698
Base-Backbone interact. energy: 2.110
local terms energy: -581.139541
where:
bonds (distance) C4'-P energy: -118.427
bonds (distance) P-C4' energy: -123.792
flat angles C4'-P-C4' energy: -120.740
flat angles P-C4'-P energy: -74.407
tors. eta vs tors. theta energy: -143.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1589.263175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.263175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.263175 (E_RNA)
where:
Base-Base interactions energy: -1047.542
where: short stacking energy: -459.019
Base-Backbone interact. energy: 0.447
local terms energy: -542.168700
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -111.053
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -122.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1423.232180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.232180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.232180 (E_RNA)
where:
Base-Base interactions energy: -916.456
where: short stacking energy: -402.134
Base-Backbone interact. energy: -1.060
local terms energy: -505.716047
where:
bonds (distance) C4'-P energy: -109.308
bonds (distance) P-C4' energy: -105.199
flat angles C4'-P-C4' energy: -120.191
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -96.113
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: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1167.337984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.337984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.337984 (E_RNA)
where:
Base-Base interactions energy: -708.692
where: short stacking energy: -328.319
Base-Backbone interact. energy: -1.882
local terms energy: -456.764725
where:
bonds (distance) C4'-P energy: -108.551
bonds (distance) P-C4' energy: -120.763
flat angles C4'-P-C4' energy: -113.177
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: -65.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -880.132426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.132426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.132426 (E_RNA)
where:
Base-Base interactions energy: -475.103
where: short stacking energy: -276.222
Base-Backbone interact. energy: -2.521
local terms energy: -402.508660
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -114.775
flat angles C4'-P-C4' energy: -87.906
flat angles P-C4'-P energy: -63.813
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -659.427421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.427421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.427421 (E_RNA)
where:
Base-Base interactions energy: -331.610
where: short stacking energy: -178.987
Base-Backbone interact. energy: 3.079
local terms energy: -330.896209
where:
bonds (distance) C4'-P energy: -101.659
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -78.478
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: 14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -499.260974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.260974 (E_RNA)
where:
Base-Base interactions energy: -192.950
where: short stacking energy: -146.761
Base-Backbone interact. energy: 0.972
local terms energy: -307.283130
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -112.977
flat angles C4'-P-C4' energy: -77.439
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: 11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2112.210401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.210401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.210401 (E_RNA)
where:
Base-Base interactions energy: -1462.022
where: short stacking energy: -573.737
Base-Backbone interact. energy: -3.518
local terms energy: -646.670487
where:
bonds (distance) C4'-P energy: -116.440
bonds (distance) P-C4' energy: -122.456
flat angles C4'-P-C4' energy: -143.562
flat angles P-C4'-P energy: -83.628
tors. eta vs tors. theta energy: -180.584
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2094.044953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.044953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.044953 (E_RNA)
where:
Base-Base interactions energy: -1453.219
where: short stacking energy: -603.868
Base-Backbone interact. energy: -3.326
local terms energy: -637.500670
where:
bonds (distance) C4'-P energy: -121.260
bonds (distance) P-C4' energy: -130.129
flat angles C4'-P-C4' energy: -131.644
flat angles P-C4'-P energy: -88.904
tors. eta vs tors. theta energy: -165.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1956.218931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.218931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.218931 (E_RNA)
where:
Base-Base interactions energy: -1345.538
where: short stacking energy: -553.159
Base-Backbone interact. energy: -2.942
local terms energy: -607.738472
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -118.672
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -86.691
tors. eta vs tors. theta energy: -167.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1792.371115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.371115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.371115 (E_RNA)
where:
Base-Base interactions energy: -1219.282
where: short stacking energy: -503.712
Base-Backbone interact. energy: -2.165
local terms energy: -570.924524
where:
bonds (distance) C4'-P energy: -109.103
bonds (distance) P-C4' energy: -121.100
flat angles C4'-P-C4' energy: -117.683
flat angles P-C4'-P energy: -72.030
tors. eta vs tors. theta energy: -151.009
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1624.285430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.285430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.285430 (E_RNA)
where:
Base-Base interactions energy: -1059.219
where: short stacking energy: -452.231
Base-Backbone interact. energy: -3.559
local terms energy: -561.506750
where:
bonds (distance) C4'-P energy: -118.703
bonds (distance) P-C4' energy: -115.776
flat angles C4'-P-C4' energy: -119.354
flat angles P-C4'-P energy: -74.831
tors. eta vs tors. theta energy: -132.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1411.576436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.576436 (E_RNA)
where:
Base-Base interactions energy: -906.719
where: short stacking energy: -416.010
Base-Backbone interact. energy: 2.853
local terms energy: -507.709654
where:
bonds (distance) C4'-P energy: -99.094
bonds (distance) P-C4' energy: -112.463
flat angles C4'-P-C4' energy: -103.617
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: -119.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1129.879363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.879363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.879363 (E_RNA)
where:
Base-Base interactions energy: -659.003
where: short stacking energy: -329.383
Base-Backbone interact. energy: -2.263
local terms energy: -468.613386
where:
bonds (distance) C4'-P energy: -103.565
bonds (distance) P-C4' energy: -115.566
flat angles C4'-P-C4' energy: -104.307
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -77.782
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: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -919.634541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.634541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.634541 (E_RNA)
where:
Base-Base interactions energy: -535.697
where: short stacking energy: -260.155
Base-Backbone interact. energy: -2.475
local terms energy: -381.462034
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -98.063
flat angles C4'-P-C4' energy: -88.717
flat angles P-C4'-P energy: -65.520
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -620.349120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.349120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.349120 (E_RNA)
where:
Base-Base interactions energy: -289.274
where: short stacking energy: -184.940
Base-Backbone interact. energy: 2.747
local terms energy: -333.821957
where:
bonds (distance) C4'-P energy: -106.457
bonds (distance) P-C4' energy: -90.103
flat angles C4'-P-C4' energy: -79.584
flat angles P-C4'-P energy: -50.838
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -467.610712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.610712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.610712 (E_RNA)
where:
Base-Base interactions energy: -147.694
where: short stacking energy: -126.151
Base-Backbone interact. energy: 6.013
local terms energy: -325.929592
where:
bonds (distance) C4'-P energy: -106.090
bonds (distance) P-C4' energy: -110.549
flat angles C4'-P-C4' energy: -94.423
flat angles P-C4'-P energy: -35.954
tors. eta vs tors. theta energy: 21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2104.809605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.809605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.809605 (E_RNA)
where:
Base-Base interactions energy: -1443.544
where: short stacking energy: -586.558
Base-Backbone interact. energy: -1.462
local terms energy: -659.804553
where:
bonds (distance) C4'-P energy: -116.509
bonds (distance) P-C4' energy: -126.451
flat angles C4'-P-C4' energy: -133.232
flat angles P-C4'-P energy: -89.203
tors. eta vs tors. theta energy: -194.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2072.591130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.591130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.591130 (E_RNA)
where:
Base-Base interactions energy: -1417.284
where: short stacking energy: -593.806
Base-Backbone interact. energy: -0.484
local terms energy: -654.823093
where:
bonds (distance) C4'-P energy: -112.997
bonds (distance) P-C4' energy: -125.546
flat angles C4'-P-C4' energy: -142.846
flat angles P-C4'-P energy: -93.381
tors. eta vs tors. theta energy: -180.053
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: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1937.154927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.154927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.154927 (E_RNA)
where:
Base-Base interactions energy: -1314.034
where: short stacking energy: -556.257
Base-Backbone interact. energy: -6.746
local terms energy: -616.375038
where:
bonds (distance) C4'-P energy: -113.135
bonds (distance) P-C4' energy: -112.093
flat angles C4'-P-C4' energy: -126.106
flat angles P-C4'-P energy: -90.332
tors. eta vs tors. theta energy: -174.709
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1785.913565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.913565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.913565 (E_RNA)
where:
Base-Base interactions energy: -1207.972
where: short stacking energy: -508.039
Base-Backbone interact. energy: -1.528
local terms energy: -576.413378
where:
bonds (distance) C4'-P energy: -101.614
bonds (distance) P-C4' energy: -111.206
flat angles C4'-P-C4' energy: -137.337
flat angles P-C4'-P energy: -76.142
tors. eta vs tors. theta energy: -150.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1598.350378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.350378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.350378 (E_RNA)
where:
Base-Base interactions energy: -1055.414
where: short stacking energy: -476.208
Base-Backbone interact. energy: 3.658
local terms energy: -546.594339
where:
bonds (distance) C4'-P energy: -95.851
bonds (distance) P-C4' energy: -127.381
flat angles C4'-P-C4' energy: -111.032
flat angles P-C4'-P energy: -81.677
tors. eta vs tors. theta energy: -130.654
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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1369.028413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.028413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.028413 (E_RNA)
where:
Base-Base interactions energy: -841.858
where: short stacking energy: -382.384
Base-Backbone interact. energy: -1.142
local terms energy: -526.028813
where:
bonds (distance) C4'-P energy: -122.991
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -126.031
flat angles P-C4'-P energy: -71.932
tors. eta vs tors. theta energy: -100.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1182.323795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.323795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.323795 (E_RNA)
where:
Base-Base interactions energy: -711.656
where: short stacking energy: -322.662
Base-Backbone interact. energy: 7.421
local terms energy: -478.088289
where:
bonds (distance) C4'-P energy: -91.631
bonds (distance) P-C4' energy: -115.222
flat angles C4'-P-C4' energy: -117.190
flat angles P-C4'-P energy: -68.427
tors. eta vs tors. theta energy: -85.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -910.040977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.040977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.040977 (E_RNA)
where:
Base-Base interactions energy: -532.599
where: short stacking energy: -269.945
Base-Backbone interact. energy: 7.994
local terms energy: -385.436386
where:
bonds (distance) C4'-P energy: -87.689
bonds (distance) P-C4' energy: -87.694
flat angles C4'-P-C4' energy: -105.220
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -36.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -642.738124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.738124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.738124 (E_RNA)
where:
Base-Base interactions energy: -273.329
where: short stacking energy: -173.102
Base-Backbone interact. energy: 4.144
local terms energy: -373.553266
where:
bonds (distance) C4'-P energy: -100.908
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -105.551
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -493.405596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.405596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.405596 (E_RNA)
where:
Base-Base interactions energy: -175.533
where: short stacking energy: -117.091
Base-Backbone interact. energy: 0.857
local terms energy: -318.729032
where:
bonds (distance) C4'-P energy: -81.403
bonds (distance) P-C4' energy: -107.365
flat angles C4'-P-C4' energy: -87.980
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: 12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2106.193904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.193904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.193904 (E_RNA)
where:
Base-Base interactions energy: -1445.593
where: short stacking energy: -595.841
Base-Backbone interact. energy: -3.216
local terms energy: -657.385241
where:
bonds (distance) C4'-P energy: -129.546
bonds (distance) P-C4' energy: -127.396
flat angles C4'-P-C4' energy: -125.424
flat angles P-C4'-P energy: -105.491
tors. eta vs tors. theta energy: -169.528
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: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2090.710205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.710205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.710205 (E_RNA)
where:
Base-Base interactions energy: -1467.513
where: short stacking energy: -588.224
Base-Backbone interact. energy: -1.919
local terms energy: -621.278575
where:
bonds (distance) C4'-P energy: -118.623
bonds (distance) P-C4' energy: -105.259
flat angles C4'-P-C4' energy: -130.140
flat angles P-C4'-P energy: -82.233
tors. eta vs tors. theta energy: -185.024
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: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1963.025037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.025037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.025037 (E_RNA)
where:
Base-Base interactions energy: -1353.781
where: short stacking energy: -563.992
Base-Backbone interact. energy: -0.633
local terms energy: -608.611723
where:
bonds (distance) C4'-P energy: -111.127
bonds (distance) P-C4' energy: -118.531
flat angles C4'-P-C4' energy: -137.401
flat angles P-C4'-P energy: -86.852
tors. eta vs tors. theta energy: -154.700
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: 232
Temperature: 1.050000
Total energy: -1789.682345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.682345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.682345 (E_RNA)
where:
Base-Base interactions energy: -1197.983
where: short stacking energy: -511.954
Base-Backbone interact. energy: -3.053
local terms energy: -588.646793
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -114.985
flat angles C4'-P-C4' energy: -118.647
flat angles P-C4'-P energy: -78.352
tors. eta vs tors. theta energy: -158.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1584.547782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.547782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.547782 (E_RNA)
where:
Base-Base interactions energy: -1039.874
where: short stacking energy: -461.903
Base-Backbone interact. energy: -1.883
local terms energy: -542.791058
where:
bonds (distance) C4'-P energy: -100.381
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -122.846
flat angles P-C4'-P energy: -71.795
tors. eta vs tors. theta energy: -138.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1379.075562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.075562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.075562 (E_RNA)
where:
Base-Base interactions energy: -845.620
where: short stacking energy: -393.442
Base-Backbone interact. energy: -3.653
local terms energy: -529.802848
where:
bonds (distance) C4'-P energy: -117.719
bonds (distance) P-C4' energy: -117.101
flat angles C4'-P-C4' energy: -122.866
flat angles P-C4'-P energy: -74.274
tors. eta vs tors. theta energy: -97.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1162.952387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.952387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.952387 (E_RNA)
where:
Base-Base interactions energy: -719.526
where: short stacking energy: -318.038
Base-Backbone interact. energy: -2.057
local terms energy: -441.369890
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -116.861
flat angles C4'-P-C4' energy: -99.917
flat angles P-C4'-P energy: -63.991
tors. eta vs tors. theta energy: -62.063
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -897.721858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.721858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.721858 (E_RNA)
where:
Base-Base interactions energy: -489.170
where: short stacking energy: -259.540
Base-Backbone interact. energy: 0.730
local terms energy: -409.281733
where:
bonds (distance) C4'-P energy: -103.591
bonds (distance) P-C4' energy: -109.943
flat angles C4'-P-C4' energy: -98.600
flat angles P-C4'-P energy: -54.139
tors. eta vs tors. theta energy: -43.008
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: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -625.407853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.407853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.407853 (E_RNA)
where:
Base-Base interactions energy: -304.906
where: short stacking energy: -213.053
Base-Backbone interact. energy: -1.316
local terms energy: -319.185658
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -97.218
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: 3.708
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: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -533.006709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.006709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.006709 (E_RNA)
where:
Base-Base interactions energy: -220.817
where: short stacking energy: -155.542
Base-Backbone interact. energy: 8.828
local terms energy: -321.018355
where:
bonds (distance) C4'-P energy: -99.539
bonds (distance) P-C4' energy: -108.206
flat angles C4'-P-C4' energy: -76.486
flat angles P-C4'-P energy: -66.224
tors. eta vs tors. theta energy: 29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2095.062847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.062847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.062847 (E_RNA)
where:
Base-Base interactions energy: -1465.046
where: short stacking energy: -595.003
Base-Backbone interact. energy: -3.419
local terms energy: -626.597929
where:
bonds (distance) C4'-P energy: -99.682
bonds (distance) P-C4' energy: -121.354
flat angles C4'-P-C4' energy: -138.735
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -183.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2030.598982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.598982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.598982 (E_RNA)
where:
Base-Base interactions energy: -1403.793
where: short stacking energy: -567.060
Base-Backbone interact. energy: -2.543
local terms energy: -624.262574
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -123.363
flat angles C4'-P-C4' energy: -123.561
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -174.616
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: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1956.001793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.001793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.001793 (E_RNA)
where:
Base-Base interactions energy: -1335.011
where: short stacking energy: -553.008
Base-Backbone interact. energy: -1.686
local terms energy: -619.305529
where:
bonds (distance) C4'-P energy: -103.368
bonds (distance) P-C4' energy: -131.346
flat angles C4'-P-C4' energy: -132.133
flat angles P-C4'-P energy: -88.532
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: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1838.032788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.032788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.032788 (E_RNA)
where:
Base-Base interactions energy: -1235.060
where: short stacking energy: -500.112
Base-Backbone interact. energy: -5.020
local terms energy: -597.952510
where:
bonds (distance) C4'-P energy: -116.199
bonds (distance) P-C4' energy: -121.139
flat angles C4'-P-C4' energy: -121.070
flat angles P-C4'-P energy: -88.701
tors. eta vs tors. theta energy: -150.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1559.318483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.318483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.318483 (E_RNA)
where:
Base-Base interactions energy: -998.943
where: short stacking energy: -466.458
Base-Backbone interact. energy: 0.035
local terms energy: -560.410990
where:
bonds (distance) C4'-P energy: -112.793
bonds (distance) P-C4' energy: -129.826
flat angles C4'-P-C4' energy: -120.383
flat angles P-C4'-P energy: -64.281
tors. eta vs tors. theta energy: -133.128
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: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1404.348094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.348094 (E_RNA)
where:
Base-Base interactions energy: -895.499
where: short stacking energy: -402.452
Base-Backbone interact. energy: -0.966
local terms energy: -507.883263
where:
bonds (distance) C4'-P energy: -100.279
bonds (distance) P-C4' energy: -100.972
flat angles C4'-P-C4' energy: -119.774
flat angles P-C4'-P energy: -75.128
tors. eta vs tors. theta energy: -111.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1143.416693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.416693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.416693 (E_RNA)
where:
Base-Base interactions energy: -720.845
where: short stacking energy: -328.868
Base-Backbone interact. energy: 1.007
local terms energy: -423.578430
where:
bonds (distance) C4'-P energy: -96.702
bonds (distance) P-C4' energy: -91.427
flat angles C4'-P-C4' energy: -109.878
flat angles P-C4'-P energy: -57.900
tors. eta vs tors. theta energy: -67.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -828.752035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.752035 (E_RNA)
where:
Base-Base interactions energy: -416.476
where: short stacking energy: -208.817
Base-Backbone interact. energy: 0.098
local terms energy: -412.374147
where:
bonds (distance) C4'-P energy: -109.802
bonds (distance) P-C4' energy: -107.621
flat angles C4'-P-C4' energy: -115.692
flat angles P-C4'-P energy: -59.276
tors. eta vs tors. theta energy: -19.983
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: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -625.493371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.493371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.493371 (E_RNA)
where:
Base-Base interactions energy: -300.117
where: short stacking energy: -159.067
Base-Backbone interact. energy: 0.875
local terms energy: -326.251291
where:
bonds (distance) C4'-P energy: -111.673
bonds (distance) P-C4' energy: -99.535
flat angles C4'-P-C4' energy: -79.763
flat angles P-C4'-P energy: -46.113
tors. eta vs tors. theta energy: 10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -474.700048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.700048 (E_RNA)
where:
Base-Base interactions energy: -165.264
where: short stacking energy: -126.871
Base-Backbone interact. energy: -2.550
local terms energy: -306.886689
where:
bonds (distance) C4'-P energy: -95.707
bonds (distance) P-C4' energy: -83.499
flat angles C4'-P-C4' energy: -90.554
flat angles P-C4'-P energy: -39.236
tors. eta vs tors. theta energy: 2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2145.586767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.586767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.586767 (E_RNA)
where:
Base-Base interactions energy: -1498.513
where: short stacking energy: -600.610
Base-Backbone interact. energy: -3.376
local terms energy: -643.698372
where:
bonds (distance) C4'-P energy: -135.052
bonds (distance) P-C4' energy: -100.806
flat angles C4'-P-C4' energy: -132.050
flat angles P-C4'-P energy: -93.698
tors. eta vs tors. theta energy: -182.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2065.780289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.780289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.780289 (E_RNA)
where:
Base-Base interactions energy: -1420.133
where: short stacking energy: -590.977
Base-Backbone interact. energy: -1.798
local terms energy: -643.849714
where:
bonds (distance) C4'-P energy: -129.457
bonds (distance) P-C4' energy: -120.400
flat angles C4'-P-C4' energy: -126.431
flat angles P-C4'-P energy: -89.878
tors. eta vs tors. theta energy: -177.685
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1976.729698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.729698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.729698 (E_RNA)
where:
Base-Base interactions energy: -1356.424
where: short stacking energy: -585.355
Base-Backbone interact. energy: -0.669
local terms energy: -619.636397
where:
bonds (distance) C4'-P energy: -107.358
bonds (distance) P-C4' energy: -121.522
flat angles C4'-P-C4' energy: -139.172
flat angles P-C4'-P energy: -86.281
tors. eta vs tors. theta energy: -165.304
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: 234
Temperature: 1.050000
Total energy: -1848.530454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.530454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.530454 (E_RNA)
where:
Base-Base interactions energy: -1243.186
where: short stacking energy: -528.890
Base-Backbone interact. energy: -2.710
local terms energy: -602.635315
where:
bonds (distance) C4'-P energy: -116.757
bonds (distance) P-C4' energy: -108.754
flat angles C4'-P-C4' energy: -127.530
flat angles P-C4'-P energy: -91.504
tors. eta vs tors. theta energy: -158.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1606.316107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.316107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.316107 (E_RNA)
where:
Base-Base interactions energy: -1064.027
where: short stacking energy: -479.302
Base-Backbone interact. energy: -0.899
local terms energy: -541.389540
where:
bonds (distance) C4'-P energy: -98.883
bonds (distance) P-C4' energy: -106.767
flat angles C4'-P-C4' energy: -111.072
flat angles P-C4'-P energy: -82.786
tors. eta vs tors. theta energy: -141.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1422.342456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.342456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.342456 (E_RNA)
where:
Base-Base interactions energy: -942.693
where: short stacking energy: -403.547
Base-Backbone interact. energy: 6.294
local terms energy: -485.942852
where:
bonds (distance) C4'-P energy: -105.289
bonds (distance) P-C4' energy: -89.849
flat angles C4'-P-C4' energy: -108.449
flat angles P-C4'-P energy: -75.992
tors. eta vs tors. theta energy: -106.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1124.422287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.422287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.422287 (E_RNA)
where:
Base-Base interactions energy: -704.714
where: short stacking energy: -310.588
Base-Backbone interact. energy: -0.677
local terms energy: -419.031109
where:
bonds (distance) C4'-P energy: -94.692
bonds (distance) P-C4' energy: -102.201
flat angles C4'-P-C4' energy: -101.454
flat angles P-C4'-P energy: -65.194
tors. eta vs tors. theta energy: -55.489
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: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -828.959614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.959614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.959614 (E_RNA)
where:
Base-Base interactions energy: -445.240
where: short stacking energy: -227.753
Base-Backbone interact. energy: 2.359
local terms energy: -386.078032
where:
bonds (distance) C4'-P energy: -103.446
bonds (distance) P-C4' energy: -100.341
flat angles C4'-P-C4' energy: -89.005
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -32.020
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: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -597.912401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.912401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.912401 (E_RNA)
where:
Base-Base interactions energy: -250.918
where: short stacking energy: -166.485
Base-Backbone interact. energy: -2.493
local terms energy: -344.500930
where:
bonds (distance) C4'-P energy: -109.795
bonds (distance) P-C4' energy: -111.616
flat angles C4'-P-C4' energy: -99.401
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: 13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -497.587204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.587204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.587204 (E_RNA)
where:
Base-Base interactions energy: -147.386
where: short stacking energy: -125.712
Base-Backbone interact. energy: -0.471
local terms energy: -349.729837
where:
bonds (distance) C4'-P energy: -92.722
bonds (distance) P-C4' energy: -115.249
flat angles C4'-P-C4' energy: -98.915
flat angles P-C4'-P energy: -57.069
tors. eta vs tors. theta energy: 14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2153.013889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.013889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.013889 (E_RNA)
where:
Base-Base interactions energy: -1478.133
where: short stacking energy: -605.901
Base-Backbone interact. energy: -4.185
local terms energy: -670.696347
where:
bonds (distance) C4'-P energy: -125.827
bonds (distance) P-C4' energy: -120.930
flat angles C4'-P-C4' energy: -144.888
flat angles P-C4'-P energy: -95.640
tors. eta vs tors. theta energy: -183.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2057.047422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.047422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.047422 (E_RNA)
where:
Base-Base interactions energy: -1396.170
where: short stacking energy: -577.471
Base-Backbone interact. energy: -0.809
local terms energy: -660.068618
where:
bonds (distance) C4'-P energy: -121.675
bonds (distance) P-C4' energy: -127.574
flat angles C4'-P-C4' energy: -137.827
flat angles P-C4'-P energy: -94.362
tors. eta vs tors. theta energy: -178.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1944.513806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.513806 (E_RNA)
where:
Base-Base interactions energy: -1325.075
where: short stacking energy: -576.307
Base-Backbone interact. energy: -0.973
local terms energy: -618.465904
where:
bonds (distance) C4'-P energy: -123.464
bonds (distance) P-C4' energy: -113.110
flat angles C4'-P-C4' energy: -131.230
flat angles P-C4'-P energy: -78.681
tors. eta vs tors. theta energy: -171.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1771.299764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.299764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.299764 (E_RNA)
where:
Base-Base interactions energy: -1186.942
where: short stacking energy: -505.351
Base-Backbone interact. energy: -1.067
local terms energy: -583.290626
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -127.975
flat angles C4'-P-C4' energy: -118.496
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -150.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1567.564464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.564464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.564464 (E_RNA)
where:
Base-Base interactions energy: -1016.009
where: short stacking energy: -454.695
Base-Backbone interact. energy: -2.902
local terms energy: -548.653676
where:
bonds (distance) C4'-P energy: -114.641
bonds (distance) P-C4' energy: -117.750
flat angles C4'-P-C4' energy: -108.922
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: -138.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1384.645616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.645616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.645616 (E_RNA)
where:
Base-Base interactions energy: -868.461
where: short stacking energy: -409.436
Base-Backbone interact. energy: -2.019
local terms energy: -514.165712
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -123.505
flat angles C4'-P-C4' energy: -131.031
flat angles P-C4'-P energy: -56.399
tors. eta vs tors. theta energy: -100.927
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: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1175.025453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.025453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.025453 (E_RNA)
where:
Base-Base interactions energy: -732.566
where: short stacking energy: -331.226
Base-Backbone interact. energy: 1.915
local terms energy: -444.373778
where:
bonds (distance) C4'-P energy: -101.215
bonds (distance) P-C4' energy: -110.373
flat angles C4'-P-C4' energy: -104.084
flat angles P-C4'-P energy: -62.867
tors. eta vs tors. theta energy: -65.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -820.916303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.916303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.916303 (E_RNA)
where:
Base-Base interactions energy: -444.210
where: short stacking energy: -242.509
Base-Backbone interact. energy: 0.757
local terms energy: -377.463024
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -96.256
flat angles C4'-P-C4' energy: -104.113
flat angles P-C4'-P energy: -59.460
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -636.106376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.106376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.106376 (E_RNA)
where:
Base-Base interactions energy: -306.895
where: short stacking energy: -178.646
Base-Backbone interact. energy: 0.116
local terms energy: -329.327351
where:
bonds (distance) C4'-P energy: -80.331
bonds (distance) P-C4' energy: -111.258
flat angles C4'-P-C4' energy: -83.106
flat angles P-C4'-P energy: -66.772
tors. eta vs tors. theta energy: 12.140
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: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -478.155537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.155537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.155537 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -120.542
Base-Backbone interact. energy: 0.891
local terms energy: -303.075084
where:
bonds (distance) C4'-P energy: -97.090
bonds (distance) P-C4' energy: -87.281
flat angles C4'-P-C4' energy: -89.221
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: 23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2129.974490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.974490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.974490 (E_RNA)
where:
Base-Base interactions energy: -1467.373
where: short stacking energy: -593.881
Base-Backbone interact. energy: -4.336
local terms energy: -658.266186
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -131.553
flat angles C4'-P-C4' energy: -132.027
flat angles P-C4'-P energy: -99.956
tors. eta vs tors. theta energy: -175.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2055.504831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.504831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.504831 (E_RNA)
where:
Base-Base interactions energy: -1410.580
where: short stacking energy: -605.007
Base-Backbone interact. energy: -4.613
local terms energy: -640.311308
where:
bonds (distance) C4'-P energy: -110.409
bonds (distance) P-C4' energy: -134.268
flat angles C4'-P-C4' energy: -135.977
flat angles P-C4'-P energy: -85.873
tors. eta vs tors. theta energy: -173.784
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: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1926.694671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.694671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.694671 (E_RNA)
where:
Base-Base interactions energy: -1335.971
where: short stacking energy: -523.684
Base-Backbone interact. energy: -0.466
local terms energy: -590.257758
where:
bonds (distance) C4'-P energy: -99.923
bonds (distance) P-C4' energy: -117.915
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -93.214
tors. eta vs tors. theta energy: -138.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1811.315747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.315747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.315747 (E_RNA)
where:
Base-Base interactions energy: -1199.389
where: short stacking energy: -545.316
Base-Backbone interact. energy: 0.067
local terms energy: -611.993902
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -134.260
flat angles C4'-P-C4' energy: -126.332
flat angles P-C4'-P energy: -78.629
tors. eta vs tors. theta energy: -165.235
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: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1596.419510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.419510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.419510 (E_RNA)
where:
Base-Base interactions energy: -1048.645
where: short stacking energy: -468.310
Base-Backbone interact. energy: -2.838
local terms energy: -544.935926
where:
bonds (distance) C4'-P energy: -103.762
bonds (distance) P-C4' energy: -102.554
flat angles C4'-P-C4' energy: -126.206
flat angles P-C4'-P energy: -72.335
tors. eta vs tors. theta energy: -140.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1382.583344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.583344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.583344 (E_RNA)
where:
Base-Base interactions energy: -884.884
where: short stacking energy: -404.145
Base-Backbone interact. energy: -0.703
local terms energy: -496.996216
where:
bonds (distance) C4'-P energy: -99.808
bonds (distance) P-C4' energy: -111.703
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -68.120
tors. eta vs tors. theta energy: -104.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1183.581870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.581870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.581870 (E_RNA)
where:
Base-Base interactions energy: -755.442
where: short stacking energy: -337.563
Base-Backbone interact. energy: 0.752
local terms energy: -428.891970
where:
bonds (distance) C4'-P energy: -91.264
bonds (distance) P-C4' energy: -116.562
flat angles C4'-P-C4' energy: -90.735
flat angles P-C4'-P energy: -62.736
tors. eta vs tors. theta energy: -67.595
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: 236
Temperature: 1.250000
Total energy: -897.897804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.897804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.897804 (E_RNA)
where:
Base-Base interactions energy: -494.331
where: short stacking energy: -247.898
Base-Backbone interact. energy: 1.057
local terms energy: -404.623561
where:
bonds (distance) C4'-P energy: -97.107
bonds (distance) P-C4' energy: -95.199
flat angles C4'-P-C4' energy: -120.824
flat angles P-C4'-P energy: -60.744
tors. eta vs tors. theta energy: -30.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -630.521215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.521215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.521215 (E_RNA)
where:
Base-Base interactions energy: -303.503
where: short stacking energy: -213.114
Base-Backbone interact. energy: 3.938
local terms energy: -330.955958
where:
bonds (distance) C4'-P energy: -96.592
bonds (distance) P-C4' energy: -79.075
flat angles C4'-P-C4' energy: -92.497
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -479.125749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.125749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.125749 (E_RNA)
where:
Base-Base interactions energy: -179.169
where: short stacking energy: -141.474
Base-Backbone interact. energy: 4.882
local terms energy: -304.838663
where:
bonds (distance) C4'-P energy: -99.186
bonds (distance) P-C4' energy: -90.408
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -51.714
tors. eta vs tors. theta energy: 30.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2133.775480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.775480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.775480 (E_RNA)
where:
Base-Base interactions energy: -1468.363
where: short stacking energy: -612.050
Base-Backbone interact. energy: 0.238
local terms energy: -665.651302
where:
bonds (distance) C4'-P energy: -118.646
bonds (distance) P-C4' energy: -126.851
flat angles C4'-P-C4' energy: -137.834
flat angles P-C4'-P energy: -99.436
tors. eta vs tors. theta energy: -182.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2084.265990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.265990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.265990 (E_RNA)
where:
Base-Base interactions energy: -1419.541
where: short stacking energy: -596.353
Base-Backbone interact. energy: -4.173
local terms energy: -660.552145
where:
bonds (distance) C4'-P energy: -126.211
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -141.036
flat angles P-C4'-P energy: -90.207
tors. eta vs tors. theta energy: -186.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1920.633206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.633206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.633206 (E_RNA)
where:
Base-Base interactions energy: -1291.684
where: short stacking energy: -546.394
Base-Backbone interact. energy: -1.911
local terms energy: -627.039084
where:
bonds (distance) C4'-P energy: -126.518
bonds (distance) P-C4' energy: -101.338
flat angles C4'-P-C4' energy: -135.513
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -170.322
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1788.232920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.232920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.232920 (E_RNA)
where:
Base-Base interactions energy: -1155.070
where: short stacking energy: -520.545
Base-Backbone interact. energy: -0.627
local terms energy: -632.535926
where:
bonds (distance) C4'-P energy: -106.550
bonds (distance) P-C4' energy: -121.904
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -96.884
tors. eta vs tors. theta energy: -168.628
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: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1613.638266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.638266 (E_RNA)
where:
Base-Base interactions energy: -1031.570
where: short stacking energy: -467.866
Base-Backbone interact. energy: 1.223
local terms energy: -583.290887
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -100.203
flat angles C4'-P-C4' energy: -127.640
flat angles P-C4'-P energy: -94.766
tors. eta vs tors. theta energy: -149.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1462.144096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.144096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.144096 (E_RNA)
where:
Base-Base interactions energy: -969.333
where: short stacking energy: -428.329
Base-Backbone interact. energy: -1.164
local terms energy: -491.646702
where:
bonds (distance) C4'-P energy: -94.862
bonds (distance) P-C4' energy: -109.989
flat angles C4'-P-C4' energy: -112.198
flat angles P-C4'-P energy: -59.643
tors. eta vs tors. theta energy: -114.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1216.955990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.955990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.955990 (E_RNA)
where:
Base-Base interactions energy: -776.602
where: short stacking energy: -335.108
Base-Backbone interact. energy: -1.231
local terms energy: -439.122530
where:
bonds (distance) C4'-P energy: -89.561
bonds (distance) P-C4' energy: -96.834
flat angles C4'-P-C4' energy: -111.610
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -74.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -980.672202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.672202 (E_RNA)
where:
Base-Base interactions energy: -559.226
where: short stacking energy: -298.154
Base-Backbone interact. energy: 2.147
local terms energy: -423.593676
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -118.610
flat angles C4'-P-C4' energy: -89.906
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -48.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -586.996869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.996869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.996869 (E_RNA)
where:
Base-Base interactions energy: -265.581
where: short stacking energy: -138.076
Base-Backbone interact. energy: 4.411
local terms energy: -325.826486
where:
bonds (distance) C4'-P energy: -102.055
bonds (distance) P-C4' energy: -105.905
flat angles C4'-P-C4' energy: -89.532
flat angles P-C4'-P energy: -62.430
tors. eta vs tors. theta energy: 34.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -475.648849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.648849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.648849 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -119.718
Base-Backbone interact. energy: 8.381
local terms energy: -335.022472
where:
bonds (distance) C4'-P energy: -104.491
bonds (distance) P-C4' energy: -127.158
flat angles C4'-P-C4' energy: -70.255
flat angles P-C4'-P energy: -53.650
tors. eta vs tors. theta energy: 20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2149.136745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.136745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.136745 (E_RNA)
where:
Base-Base interactions energy: -1486.683
where: short stacking energy: -596.920
Base-Backbone interact. energy: -4.302
local terms energy: -658.151458
where:
bonds (distance) C4'-P energy: -122.895
bonds (distance) P-C4' energy: -110.337
flat angles C4'-P-C4' energy: -143.519
flat angles P-C4'-P energy: -98.931
tors. eta vs tors. theta energy: -182.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2051.041171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.041171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.041171 (E_RNA)
where:
Base-Base interactions energy: -1409.241
where: short stacking energy: -569.583
Base-Backbone interact. energy: -2.163
local terms energy: -639.637601
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -113.728
flat angles C4'-P-C4' energy: -147.119
flat angles P-C4'-P energy: -95.073
tors. eta vs tors. theta energy: -177.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1908.900739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.900739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.900739 (E_RNA)
where:
Base-Base interactions energy: -1293.902
where: short stacking energy: -534.112
Base-Backbone interact. energy: -3.076
local terms energy: -611.922956
where:
bonds (distance) C4'-P energy: -124.445
bonds (distance) P-C4' energy: -121.631
flat angles C4'-P-C4' energy: -129.106
flat angles P-C4'-P energy: -68.206
tors. eta vs tors. theta energy: -168.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1782.986630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.986630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.986630 (E_RNA)
where:
Base-Base interactions energy: -1207.582
where: short stacking energy: -531.832
Base-Backbone interact. energy: -0.412
local terms energy: -574.992321
where:
bonds (distance) C4'-P energy: -110.481
bonds (distance) P-C4' energy: -114.344
flat angles C4'-P-C4' energy: -116.456
flat angles P-C4'-P energy: -84.952
tors. eta vs tors. theta energy: -148.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1639.034675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.034675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.034675 (E_RNA)
where:
Base-Base interactions energy: -1085.729
where: short stacking energy: -499.346
Base-Backbone interact. energy: -1.079
local terms energy: -552.225900
where:
bonds (distance) C4'-P energy: -96.147
bonds (distance) P-C4' energy: -107.606
flat angles C4'-P-C4' energy: -119.990
flat angles P-C4'-P energy: -72.952
tors. eta vs tors. theta energy: -155.531
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: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1536.296089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.296089 (E_RNA)
where:
Base-Base interactions energy: -1002.566
where: short stacking energy: -442.194
Base-Backbone interact. energy: 1.351
local terms energy: -535.081254
where:
bonds (distance) C4'-P energy: -113.146
bonds (distance) P-C4' energy: -100.674
flat angles C4'-P-C4' energy: -110.485
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -135.624
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1242.115956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.115956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.115956 (E_RNA)
where:
Base-Base interactions energy: -802.352
where: short stacking energy: -359.265
Base-Backbone interact. energy: -1.894
local terms energy: -437.869794
where:
bonds (distance) C4'-P energy: -89.280
bonds (distance) P-C4' energy: -92.446
flat angles C4'-P-C4' energy: -107.975
flat angles P-C4'-P energy: -76.626
tors. eta vs tors. theta energy: -71.543
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: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -957.076493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.076493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.076493 (E_RNA)
where:
Base-Base interactions energy: -574.271
where: short stacking energy: -270.870
Base-Backbone interact. energy: -2.894
local terms energy: -379.912177
where:
bonds (distance) C4'-P energy: -94.407
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -104.893
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -31.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -582.440197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.440197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.440197 (E_RNA)
where:
Base-Base interactions energy: -251.231
where: short stacking energy: -148.912
Base-Backbone interact. energy: 1.146
local terms energy: -332.355298
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -98.244
flat angles C4'-P-C4' energy: -96.894
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: 9.184
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: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -462.488108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.488108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.488108 (E_RNA)
where:
Base-Base interactions energy: -171.738
where: short stacking energy: -149.990
Base-Backbone interact. energy: 2.543
local terms energy: -293.293646
where:
bonds (distance) C4'-P energy: -85.567
bonds (distance) P-C4' energy: -94.061
flat angles C4'-P-C4' energy: -83.500
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: 22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2145.375373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.375373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.375373 (E_RNA)
where:
Base-Base interactions energy: -1479.531
where: short stacking energy: -597.173
Base-Backbone interact. energy: -1.561
local terms energy: -664.283953
where:
bonds (distance) C4'-P energy: -126.207
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -139.101
flat angles P-C4'-P energy: -95.397
tors. eta vs tors. theta energy: -180.343
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: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2065.098409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.098409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.098409 (E_RNA)
where:
Base-Base interactions energy: -1418.641
where: short stacking energy: -602.312
Base-Backbone interact. energy: -4.668
local terms energy: -641.789557
where:
bonds (distance) C4'-P energy: -103.789
bonds (distance) P-C4' energy: -114.009
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -91.592
tors. eta vs tors. theta energy: -191.917
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: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1896.277535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.277535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.277535 (E_RNA)
where:
Base-Base interactions energy: -1282.110
where: short stacking energy: -550.028
Base-Backbone interact. energy: -2.398
local terms energy: -611.768905
where:
bonds (distance) C4'-P energy: -109.659
bonds (distance) P-C4' energy: -120.651
flat angles C4'-P-C4' energy: -125.436
flat angles P-C4'-P energy: -85.017
tors. eta vs tors. theta energy: -171.006
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: 239
Temperature: 1.050000
Total energy: -1816.313215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.313215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.313215 (E_RNA)
where:
Base-Base interactions energy: -1240.182
where: short stacking energy: -524.274
Base-Backbone interact. energy: 0.468
local terms energy: -576.599801
where:
bonds (distance) C4'-P energy: -87.041
bonds (distance) P-C4' energy: -116.085
flat angles C4'-P-C4' energy: -132.095
flat angles P-C4'-P energy: -83.675
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: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1649.416189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.416189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.416189 (E_RNA)
where:
Base-Base interactions energy: -1061.121
where: short stacking energy: -507.132
Base-Backbone interact. energy: 1.916
local terms energy: -590.211411
where:
bonds (distance) C4'-P energy: -100.100
bonds (distance) P-C4' energy: -113.228
flat angles C4'-P-C4' energy: -128.334
flat angles P-C4'-P energy: -90.646
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: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1494.151315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.151315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.151315 (E_RNA)
where:
Base-Base interactions energy: -952.096
where: short stacking energy: -456.195
Base-Backbone interact. energy: -4.281
local terms energy: -537.774472
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -104.742
flat angles C4'-P-C4' energy: -114.587
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -123.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1190.638785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.638785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.638785 (E_RNA)
where:
Base-Base interactions energy: -744.992
where: short stacking energy: -353.778
Base-Backbone interact. energy: -2.987
local terms energy: -442.660270
where:
bonds (distance) C4'-P energy: -91.284
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -100.765
flat angles P-C4'-P energy: -63.528
tors. eta vs tors. theta energy: -81.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -861.886390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.886390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.886390 (E_RNA)
where:
Base-Base interactions energy: -478.590
where: short stacking energy: -226.587
Base-Backbone interact. energy: 2.451
local terms energy: -385.746838
where:
bonds (distance) C4'-P energy: -91.067
bonds (distance) P-C4' energy: -111.519
flat angles C4'-P-C4' energy: -104.624
flat angles P-C4'-P energy: -54.947
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -574.502357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.502357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.502357 (E_RNA)
where:
Base-Base interactions energy: -246.435
where: short stacking energy: -156.872
Base-Backbone interact. energy: -0.737
local terms energy: -327.330258
where:
bonds (distance) C4'-P energy: -92.900
bonds (distance) P-C4' energy: -92.302
flat angles C4'-P-C4' energy: -93.155
flat angles P-C4'-P energy: -50.364
tors. eta vs tors. theta energy: 1.391
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -484.791288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.791288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.791288 (E_RNA)
where:
Base-Base interactions energy: -153.629
where: short stacking energy: -109.133
Base-Backbone interact. energy: -0.242
local terms energy: -330.921219
where:
bonds (distance) C4'-P energy: -98.168
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -79.175
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: 14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2131.853366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.853366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.853366 (E_RNA)
where:
Base-Base interactions energy: -1495.354
where: short stacking energy: -597.799
Base-Backbone interact. energy: -1.336
local terms energy: -635.162918
where:
bonds (distance) C4'-P energy: -129.089
bonds (distance) P-C4' energy: -112.140
flat angles C4'-P-C4' energy: -130.034
flat angles P-C4'-P energy: -81.041
tors. eta vs tors. theta energy: -182.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2054.410802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.410802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.410802 (E_RNA)
where:
Base-Base interactions energy: -1423.733
where: short stacking energy: -601.488
Base-Backbone interact. energy: -2.370
local terms energy: -628.307890
where:
bonds (distance) C4'-P energy: -112.268
bonds (distance) P-C4' energy: -113.756
flat angles C4'-P-C4' energy: -138.520
flat angles P-C4'-P energy: -74.868
tors. eta vs tors. theta energy: -188.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1931.031527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.031527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.031527 (E_RNA)
where:
Base-Base interactions energy: -1307.201
where: short stacking energy: -549.058
Base-Backbone interact. energy: -1.953
local terms energy: -621.877949
where:
bonds (distance) C4'-P energy: -129.077
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -125.756
flat angles P-C4'-P energy: -83.567
tors. eta vs tors. theta energy: -170.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1839.376366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.376366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.376366 (E_RNA)
where:
Base-Base interactions energy: -1262.499
where: short stacking energy: -513.661
Base-Backbone interact. energy: 0.219
local terms energy: -577.096746
where:
bonds (distance) C4'-P energy: -119.228
bonds (distance) P-C4' energy: -112.450
flat angles C4'-P-C4' energy: -121.253
flat angles P-C4'-P energy: -74.380
tors. eta vs tors. theta energy: -149.785
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: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1620.099615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.099615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.099615 (E_RNA)
where:
Base-Base interactions energy: -1049.692
where: short stacking energy: -455.652
Base-Backbone interact. energy: -0.969
local terms energy: -569.438797
where:
bonds (distance) C4'-P energy: -99.837
bonds (distance) P-C4' energy: -116.372
flat angles C4'-P-C4' energy: -135.372
flat angles P-C4'-P energy: -74.622
tors. eta vs tors. theta energy: -143.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1489.385851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.385851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.385851 (E_RNA)
where:
Base-Base interactions energy: -960.361
where: short stacking energy: -454.158
Base-Backbone interact. energy: -1.857
local terms energy: -527.168265
where:
bonds (distance) C4'-P energy: -91.844
bonds (distance) P-C4' energy: -99.733
flat angles C4'-P-C4' energy: -121.310
flat angles P-C4'-P energy: -78.791
tors. eta vs tors. theta energy: -135.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1143.201869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.201869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.201869 (E_RNA)
where:
Base-Base interactions energy: -696.800
where: short stacking energy: -334.277
Base-Backbone interact. energy: -1.489
local terms energy: -444.913134
where:
bonds (distance) C4'-P energy: -89.719
bonds (distance) P-C4' energy: -98.533
flat angles C4'-P-C4' energy: -106.383
flat angles P-C4'-P energy: -69.475
tors. eta vs tors. theta energy: -80.803
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: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -884.186573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.186573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.186573 (E_RNA)
where:
Base-Base interactions energy: -493.872
where: short stacking energy: -244.670
Base-Backbone interact. energy: 2.985
local terms energy: -393.299952
where:
bonds (distance) C4'-P energy: -85.307
bonds (distance) P-C4' energy: -112.841
flat angles C4'-P-C4' energy: -109.785
flat angles P-C4'-P energy: -67.470
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -578.815752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.815752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.815752 (E_RNA)
where:
Base-Base interactions energy: -253.282
where: short stacking energy: -153.254
Base-Backbone interact. energy: 4.473
local terms energy: -330.006215
where:
bonds (distance) C4'-P energy: -90.627
bonds (distance) P-C4' energy: -111.214
flat angles C4'-P-C4' energy: -102.170
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: 26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -475.871576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.871576 (E_RNA)
where:
Base-Base interactions energy: -158.939
where: short stacking energy: -147.655
Base-Backbone interact. energy: 1.362
local terms energy: -318.294259
where:
bonds (distance) C4'-P energy: -101.235
bonds (distance) P-C4' energy: -107.669
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: 5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2137.318462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.318462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.318462 (E_RNA)
where:
Base-Base interactions energy: -1483.685
where: short stacking energy: -624.559
Base-Backbone interact. energy: -1.767
local terms energy: -651.866740
where:
bonds (distance) C4'-P energy: -118.432
bonds (distance) P-C4' energy: -108.540
flat angles C4'-P-C4' energy: -144.587
flat angles P-C4'-P energy: -96.588
tors. eta vs tors. theta energy: -183.720
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: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2065.053167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.053167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.053167 (E_RNA)
where:
Base-Base interactions energy: -1422.883
where: short stacking energy: -619.173
Base-Backbone interact. energy: -0.446
local terms energy: -641.724478
where:
bonds (distance) C4'-P energy: -120.148
bonds (distance) P-C4' energy: -109.380
flat angles C4'-P-C4' energy: -134.119
flat angles P-C4'-P energy: -89.328
tors. eta vs tors. theta energy: -188.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1937.542577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.542577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.542577 (E_RNA)
where:
Base-Base interactions energy: -1330.152
where: short stacking energy: -563.827
Base-Backbone interact. energy: -0.487
local terms energy: -606.904057
where:
bonds (distance) C4'-P energy: -115.356
bonds (distance) P-C4' energy: -126.292
flat angles C4'-P-C4' energy: -138.442
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -152.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1834.944321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.944321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.944321 (E_RNA)
where:
Base-Base interactions energy: -1220.943
where: short stacking energy: -521.333
Base-Backbone interact. energy: -2.720
local terms energy: -611.280713
where:
bonds (distance) C4'-P energy: -109.175
bonds (distance) P-C4' energy: -131.093
flat angles C4'-P-C4' energy: -125.994
flat angles P-C4'-P energy: -85.371
tors. eta vs tors. theta energy: -159.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1613.147192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.147192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.147192 (E_RNA)
where:
Base-Base interactions energy: -1039.594
where: short stacking energy: -478.360
Base-Backbone interact. energy: -3.439
local terms energy: -570.114208
where:
bonds (distance) C4'-P energy: -97.943
bonds (distance) P-C4' energy: -115.534
flat angles C4'-P-C4' energy: -129.779
flat angles P-C4'-P energy: -82.162
tors. eta vs tors. theta energy: -144.696
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: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1473.833992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.833992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.833992 (E_RNA)
where:
Base-Base interactions energy: -956.104
where: short stacking energy: -411.074
Base-Backbone interact. energy: -0.273
local terms energy: -517.456941
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -126.600
flat angles C4'-P-C4' energy: -101.797
flat angles P-C4'-P energy: -66.849
tors. eta vs tors. theta energy: -114.103
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1088.014210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.014210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.014210 (E_RNA)
where:
Base-Base interactions energy: -625.347
where: short stacking energy: -308.827
Base-Backbone interact. energy: -1.510
local terms energy: -461.157261
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -68.416
tors. eta vs tors. theta energy: -75.951
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: 241
Temperature: 1.250000
Total energy: -801.822287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.822287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.822287 (E_RNA)
where:
Base-Base interactions energy: -428.728
where: short stacking energy: -243.927
Base-Backbone interact. energy: -0.306
local terms energy: -372.787748
where:
bonds (distance) C4'-P energy: -88.136
bonds (distance) P-C4' energy: -106.774
flat angles C4'-P-C4' energy: -89.624
flat angles P-C4'-P energy: -62.551
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -635.287511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.287511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.287511 (E_RNA)
where:
Base-Base interactions energy: -291.022
where: short stacking energy: -205.762
Base-Backbone interact. energy: -0.262
local terms energy: -344.003700
where:
bonds (distance) C4'-P energy: -102.338
bonds (distance) P-C4' energy: -84.360
flat angles C4'-P-C4' energy: -85.452
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -462.996734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.996734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.996734 (E_RNA)
where:
Base-Base interactions energy: -188.762
where: short stacking energy: -140.601
Base-Backbone interact. energy: 5.771
local terms energy: -280.005927
where:
bonds (distance) C4'-P energy: -99.567
bonds (distance) P-C4' energy: -90.844
flat angles C4'-P-C4' energy: -80.525
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: 32.296
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: 242
Temperature: 0.900000
Total energy: -2122.342929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.342929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.342929 (E_RNA)
where:
Base-Base interactions energy: -1466.647
where: short stacking energy: -596.361
Base-Backbone interact. energy: -1.456
local terms energy: -654.239483
where:
bonds (distance) C4'-P energy: -114.086
bonds (distance) P-C4' energy: -126.574
flat angles C4'-P-C4' energy: -141.090
flat angles P-C4'-P energy: -97.179
tors. eta vs tors. theta energy: -175.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2044.688905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.688905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.688905 (E_RNA)
where:
Base-Base interactions energy: -1415.543
where: short stacking energy: -595.934
Base-Backbone interact. energy: -3.039
local terms energy: -626.106090
where:
bonds (distance) C4'-P energy: -118.036
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -127.311
flat angles P-C4'-P energy: -90.468
tors. eta vs tors. theta energy: -174.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1911.613737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.613737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.613737 (E_RNA)
where:
Base-Base interactions energy: -1308.408
where: short stacking energy: -561.290
Base-Backbone interact. energy: -1.221
local terms energy: -601.984719
where:
bonds (distance) C4'-P energy: -114.863
bonds (distance) P-C4' energy: -115.225
flat angles C4'-P-C4' energy: -127.045
flat angles P-C4'-P energy: -82.102
tors. eta vs tors. theta energy: -162.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1835.257610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.257610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.257610 (E_RNA)
where:
Base-Base interactions energy: -1202.242
where: short stacking energy: -533.305
Base-Backbone interact. energy: -2.810
local terms energy: -630.205599
where:
bonds (distance) C4'-P energy: -120.714
bonds (distance) P-C4' energy: -133.358
flat angles C4'-P-C4' energy: -126.986
flat angles P-C4'-P energy: -90.554
tors. eta vs tors. theta energy: -158.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1612.877873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.877873 (E_RNA)
where:
Base-Base interactions energy: -1049.697
where: short stacking energy: -476.069
Base-Backbone interact. energy: 2.816
local terms energy: -565.996935
where:
bonds (distance) C4'-P energy: -110.823
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -129.609
flat angles P-C4'-P energy: -76.898
tors. eta vs tors. theta energy: -152.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1471.673240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.673240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.673240 (E_RNA)
where:
Base-Base interactions energy: -957.961
where: short stacking energy: -441.071
Base-Backbone interact. energy: 0.321
local terms energy: -514.033134
where:
bonds (distance) C4'-P energy: -93.048
bonds (distance) P-C4' energy: -84.914
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -77.262
tors. eta vs tors. theta energy: -138.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1051.063699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.063699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.063699 (E_RNA)
where:
Base-Base interactions energy: -636.809
where: short stacking energy: -295.315
Base-Backbone interact. energy: -4.328
local terms energy: -409.926640
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -107.802
flat angles C4'-P-C4' energy: -115.556
flat angles P-C4'-P energy: -59.310
tors. eta vs tors. theta energy: -35.559
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -777.353526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.353526 (E_RNA)
where:
Base-Base interactions energy: -404.488
where: short stacking energy: -233.479
Base-Backbone interact. energy: 2.619
local terms energy: -375.485267
where:
bonds (distance) C4'-P energy: -112.314
bonds (distance) P-C4' energy: -93.284
flat angles C4'-P-C4' energy: -83.548
flat angles P-C4'-P energy: -67.398
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -630.748062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.748062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.748062 (E_RNA)
where:
Base-Base interactions energy: -277.416
where: short stacking energy: -167.895
Base-Backbone interact. energy: 1.381
local terms energy: -354.713142
where:
bonds (distance) C4'-P energy: -102.882
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -96.890
flat angles P-C4'-P energy: -53.493
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -472.637602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.637602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.637602 (E_RNA)
where:
Base-Base interactions energy: -168.630
where: short stacking energy: -152.043
Base-Backbone interact. energy: 8.688
local terms energy: -312.696347
where:
bonds (distance) C4'-P energy: -98.955
bonds (distance) P-C4' energy: -102.620
flat angles C4'-P-C4' energy: -89.404
flat angles P-C4'-P energy: -28.946
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: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2116.196140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.196140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.196140 (E_RNA)
where:
Base-Base interactions energy: -1463.405
where: short stacking energy: -580.628
Base-Backbone interact. energy: -2.916
local terms energy: -649.875671
where:
bonds (distance) C4'-P energy: -129.596
bonds (distance) P-C4' energy: -112.156
flat angles C4'-P-C4' energy: -136.197
flat angles P-C4'-P energy: -98.594
tors. eta vs tors. theta energy: -173.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2077.650375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.650375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.650375 (E_RNA)
where:
Base-Base interactions energy: -1447.430
where: short stacking energy: -584.846
Base-Backbone interact. energy: -1.084
local terms energy: -629.135647
where:
bonds (distance) C4'-P energy: -115.244
bonds (distance) P-C4' energy: -115.889
flat angles C4'-P-C4' energy: -131.983
flat angles P-C4'-P energy: -92.295
tors. eta vs tors. theta energy: -173.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1933.169665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.169665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.169665 (E_RNA)
where:
Base-Base interactions energy: -1351.785
where: short stacking energy: -556.437
Base-Backbone interact. energy: 0.855
local terms energy: -582.240441
where:
bonds (distance) C4'-P energy: -106.818
bonds (distance) P-C4' energy: -93.382
flat angles C4'-P-C4' energy: -129.644
flat angles P-C4'-P energy: -83.835
tors. eta vs tors. theta energy: -168.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1805.188056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.188056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.188056 (E_RNA)
where:
Base-Base interactions energy: -1192.757
where: short stacking energy: -510.650
Base-Backbone interact. energy: -2.899
local terms energy: -609.531781
where:
bonds (distance) C4'-P energy: -108.554
bonds (distance) P-C4' energy: -108.867
flat angles C4'-P-C4' energy: -131.583
flat angles P-C4'-P energy: -99.295
tors. eta vs tors. theta energy: -161.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1606.354372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.354372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.354372 (E_RNA)
where:
Base-Base interactions energy: -1047.963
where: short stacking energy: -476.319
Base-Backbone interact. energy: 3.288
local terms energy: -561.679415
where:
bonds (distance) C4'-P energy: -105.774
bonds (distance) P-C4' energy: -104.176
flat angles C4'-P-C4' energy: -129.587
flat angles P-C4'-P energy: -71.931
tors. eta vs tors. theta energy: -150.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1513.783636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.783636 (E_RNA)
where:
Base-Base interactions energy: -983.670
where: short stacking energy: -463.114
Base-Backbone interact. energy: 1.410
local terms energy: -531.523705
where:
bonds (distance) C4'-P energy: -83.689
bonds (distance) P-C4' energy: -124.259
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -83.260
tors. eta vs tors. theta energy: -119.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -991.607460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.607460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.607460 (E_RNA)
where:
Base-Base interactions energy: -567.040
where: short stacking energy: -283.689
Base-Backbone interact. energy: -0.742
local terms energy: -423.825029
where:
bonds (distance) C4'-P energy: -108.342
bonds (distance) P-C4' energy: -98.607
flat angles C4'-P-C4' energy: -94.839
flat angles P-C4'-P energy: -70.667
tors. eta vs tors. theta energy: -51.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -778.590880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.590880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.590880 (E_RNA)
where:
Base-Base interactions energy: -413.712
where: short stacking energy: -227.581
Base-Backbone interact. energy: 0.473
local terms energy: -365.351555
where:
bonds (distance) C4'-P energy: -100.810
bonds (distance) P-C4' energy: -96.115
flat angles C4'-P-C4' energy: -99.894
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -606.420852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.420852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.420852 (E_RNA)
where:
Base-Base interactions energy: -266.491
where: short stacking energy: -192.808
Base-Backbone interact. energy: 0.249
local terms energy: -340.179040
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -107.561
flat angles C4'-P-C4' energy: -79.471
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -462.087147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.087147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.087147 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -117.142
Base-Backbone interact. energy: -2.102
local terms energy: -321.211017
where:
bonds (distance) C4'-P energy: -107.644
bonds (distance) P-C4' energy: -105.639
flat angles C4'-P-C4' energy: -82.217
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: 25.348
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: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2134.881708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.881708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.881708 (E_RNA)
where:
Base-Base interactions energy: -1492.216
where: short stacking energy: -604.766
Base-Backbone interact. energy: -1.647
local terms energy: -641.018169
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -115.128
flat angles C4'-P-C4' energy: -132.395
flat angles P-C4'-P energy: -90.778
tors. eta vs tors. theta energy: -189.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2054.531311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.531311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.531311 (E_RNA)
where:
Base-Base interactions energy: -1411.200
where: short stacking energy: -581.165
Base-Backbone interact. energy: -4.011
local terms energy: -639.320469
where:
bonds (distance) C4'-P energy: -108.429
bonds (distance) P-C4' energy: -124.326
flat angles C4'-P-C4' energy: -139.071
flat angles P-C4'-P energy: -91.997
tors. eta vs tors. theta energy: -175.496
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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1929.743136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.743136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.743136 (E_RNA)
where:
Base-Base interactions energy: -1305.235
where: short stacking energy: -555.963
Base-Backbone interact. energy: 2.202
local terms energy: -626.710146
where:
bonds (distance) C4'-P energy: -131.987
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -136.647
flat angles P-C4'-P energy: -93.240
tors. eta vs tors. theta energy: -154.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1823.130230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.130230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.130230 (E_RNA)
where:
Base-Base interactions energy: -1230.156
where: short stacking energy: -504.649
Base-Backbone interact. energy: -3.498
local terms energy: -589.476399
where:
bonds (distance) C4'-P energy: -120.553
bonds (distance) P-C4' energy: -104.485
flat angles C4'-P-C4' energy: -126.906
flat angles P-C4'-P energy: -75.757
tors. eta vs tors. theta energy: -161.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1600.590745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.590745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.590745 (E_RNA)
where:
Base-Base interactions energy: -1044.934
where: short stacking energy: -480.770
Base-Backbone interact. energy: 4.769
local terms energy: -560.426252
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -111.506
flat angles C4'-P-C4' energy: -134.274
flat angles P-C4'-P energy: -72.877
tors. eta vs tors. theta energy: -137.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1492.333308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.333308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.333308 (E_RNA)
where:
Base-Base interactions energy: -971.803
where: short stacking energy: -426.556
Base-Backbone interact. energy: 0.619
local terms energy: -521.149419
where:
bonds (distance) C4'-P energy: -108.422
bonds (distance) P-C4' energy: -91.964
flat angles C4'-P-C4' energy: -117.051
flat angles P-C4'-P energy: -78.332
tors. eta vs tors. theta energy: -125.380
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -992.754813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.754813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.754813 (E_RNA)
where:
Base-Base interactions energy: -576.848
where: short stacking energy: -287.329
Base-Backbone interact. energy: -2.762
local terms energy: -413.145127
where:
bonds (distance) C4'-P energy: -112.959
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -106.413
flat angles P-C4'-P energy: -52.002
tors. eta vs tors. theta energy: -43.060
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: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -799.310303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.310303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.310303 (E_RNA)
where:
Base-Base interactions energy: -392.178
where: short stacking energy: -234.936
Base-Backbone interact. energy: -1.697
local terms energy: -405.434696
where:
bonds (distance) C4'-P energy: -108.763
bonds (distance) P-C4' energy: -111.207
flat angles C4'-P-C4' energy: -85.566
flat angles P-C4'-P energy: -74.137
tors. eta vs tors. theta energy: -25.763
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -577.991907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.991907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.991907 (E_RNA)
where:
Base-Base interactions energy: -264.858
where: short stacking energy: -149.914
Base-Backbone interact. energy: -2.376
local terms energy: -310.757599
where:
bonds (distance) C4'-P energy: -81.202
bonds (distance) P-C4' energy: -99.353
flat angles C4'-P-C4' energy: -89.290
flat angles P-C4'-P energy: -49.311
tors. eta vs tors. theta energy: 8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -450.540566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.540566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.540566 (E_RNA)
where:
Base-Base interactions energy: -133.134
where: short stacking energy: -108.709
Base-Backbone interact. energy: 4.840
local terms energy: -322.247053
where:
bonds (distance) C4'-P energy: -101.020
bonds (distance) P-C4' energy: -110.418
flat angles C4'-P-C4' energy: -84.253
flat angles P-C4'-P energy: -51.142
tors. eta vs tors. theta energy: 24.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2123.823751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.823751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.823751 (E_RNA)
where:
Base-Base interactions energy: -1441.241
where: short stacking energy: -598.331
Base-Backbone interact. energy: -5.915
local terms energy: -676.667244
where:
bonds (distance) C4'-P energy: -130.278
bonds (distance) P-C4' energy: -122.316
flat angles C4'-P-C4' energy: -147.821
flat angles P-C4'-P energy: -98.797
tors. eta vs tors. theta energy: -177.456
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: 245
Temperature: 0.950000
Total energy: -2074.428557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.428557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.428557 (E_RNA)
where:
Base-Base interactions energy: -1450.212
where: short stacking energy: -580.119
Base-Backbone interact. energy: -3.617
local terms energy: -620.599741
where:
bonds (distance) C4'-P energy: -102.343
bonds (distance) P-C4' energy: -113.494
flat angles C4'-P-C4' energy: -136.721
flat angles P-C4'-P energy: -93.041
tors. eta vs tors. theta energy: -175.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1923.404046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.404046 (E_RNA)
where:
Base-Base interactions energy: -1286.046
where: short stacking energy: -551.653
Base-Backbone interact. energy: -0.653
local terms energy: -636.705121
where:
bonds (distance) C4'-P energy: -125.369
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -131.804
flat angles P-C4'-P energy: -100.444
tors. eta vs tors. theta energy: -161.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1817.857025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.857025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.857025 (E_RNA)
where:
Base-Base interactions energy: -1245.909
where: short stacking energy: -516.039
Base-Backbone interact. energy: 1.788
local terms energy: -573.735766
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -115.751
flat angles C4'-P-C4' energy: -124.871
flat angles P-C4'-P energy: -70.647
tors. eta vs tors. theta energy: -153.804
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1613.698929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.698929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.698929 (E_RNA)
where:
Base-Base interactions energy: -1055.240
where: short stacking energy: -470.490
Base-Backbone interact. energy: -0.337
local terms energy: -558.121802
where:
bonds (distance) C4'-P energy: -112.747
bonds (distance) P-C4' energy: -98.507
flat angles C4'-P-C4' energy: -127.701
flat angles P-C4'-P energy: -80.467
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: 245
Temperature: 1.150000
Total energy: -1493.804847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.804847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.804847 (E_RNA)
where:
Base-Base interactions energy: -1005.508
where: short stacking energy: -459.596
Base-Backbone interact. energy: 2.385
local terms energy: -490.682017
where:
bonds (distance) C4'-P energy: -88.018
bonds (distance) P-C4' energy: -97.215
flat angles C4'-P-C4' energy: -117.698
flat angles P-C4'-P energy: -62.872
tors. eta vs tors. theta energy: -124.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1005.030131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.030131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.030131 (E_RNA)
where:
Base-Base interactions energy: -623.398
where: short stacking energy: -267.147
Base-Backbone interact. energy: -0.211
local terms energy: -381.421156
where:
bonds (distance) C4'-P energy: -104.717
bonds (distance) P-C4' energy: -101.265
flat angles C4'-P-C4' energy: -70.156
flat angles P-C4'-P energy: -64.148
tors. eta vs tors. theta energy: -41.136
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: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -732.633238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.633238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.633238 (E_RNA)
where:
Base-Base interactions energy: -360.957
where: short stacking energy: -240.250
Base-Backbone interact. energy: -0.082
local terms energy: -371.594422
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -109.220
flat angles C4'-P-C4' energy: -83.971
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -604.051459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.051459 (E_RNA)
where:
Base-Base interactions energy: -239.589
where: short stacking energy: -151.621
Base-Backbone interact. energy: -0.007
local terms energy: -364.455361
where:
bonds (distance) C4'-P energy: -104.953
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -99.988
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: 4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -485.568382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.568382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.568382 (E_RNA)
where:
Base-Base interactions energy: -167.157
where: short stacking energy: -142.973
Base-Backbone interact. energy: -1.836
local terms energy: -316.575537
where:
bonds (distance) C4'-P energy: -96.056
bonds (distance) P-C4' energy: -103.722
flat angles C4'-P-C4' energy: -86.319
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: 9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2114.647994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.647994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.647994 (E_RNA)
where:
Base-Base interactions energy: -1455.604
where: short stacking energy: -618.448
Base-Backbone interact. energy: -3.067
local terms energy: -655.976841
where:
bonds (distance) C4'-P energy: -119.396
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -143.053
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -186.695
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2082.108218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.108218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.108218 (E_RNA)
where:
Base-Base interactions energy: -1435.230
where: short stacking energy: -584.074
Base-Backbone interact. energy: -0.348
local terms energy: -646.530092
where:
bonds (distance) C4'-P energy: -117.420
bonds (distance) P-C4' energy: -128.298
flat angles C4'-P-C4' energy: -132.430
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -180.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1918.784023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.784023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.784023 (E_RNA)
where:
Base-Base interactions energy: -1282.043
where: short stacking energy: -572.167
Base-Backbone interact. energy: 2.448
local terms energy: -639.188869
where:
bonds (distance) C4'-P energy: -112.832
bonds (distance) P-C4' energy: -119.905
flat angles C4'-P-C4' energy: -139.422
flat angles P-C4'-P energy: -96.057
tors. eta vs tors. theta energy: -170.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1778.256086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.256086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.256086 (E_RNA)
where:
Base-Base interactions energy: -1195.673
where: short stacking energy: -498.744
Base-Backbone interact. energy: 0.695
local terms energy: -583.278579
where:
bonds (distance) C4'-P energy: -116.093
bonds (distance) P-C4' energy: -121.268
flat angles C4'-P-C4' energy: -123.958
flat angles P-C4'-P energy: -72.216
tors. eta vs tors. theta energy: -149.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1606.939172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.939172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.939172 (E_RNA)
where:
Base-Base interactions energy: -1026.670
where: short stacking energy: -468.395
Base-Backbone interact. energy: -1.602
local terms energy: -578.667539
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -115.165
flat angles C4'-P-C4' energy: -138.422
flat angles P-C4'-P energy: -68.685
tors. eta vs tors. theta energy: -141.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1400.900069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.900069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.900069 (E_RNA)
where:
Base-Base interactions energy: -900.482
where: short stacking energy: -405.243
Base-Backbone interact. energy: 5.312
local terms energy: -505.729948
where:
bonds (distance) C4'-P energy: -110.356
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -116.551
flat angles P-C4'-P energy: -62.476
tors. eta vs tors. theta energy: -91.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1042.665520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.665520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.665520 (E_RNA)
where:
Base-Base interactions energy: -619.156
where: short stacking energy: -298.857
Base-Backbone interact. energy: -3.412
local terms energy: -420.097970
where:
bonds (distance) C4'-P energy: -99.544
bonds (distance) P-C4' energy: -123.549
flat angles C4'-P-C4' energy: -92.180
flat angles P-C4'-P energy: -60.461
tors. eta vs tors. theta energy: -44.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -816.013591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.013591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.013591 (E_RNA)
where:
Base-Base interactions energy: -403.531
where: short stacking energy: -207.056
Base-Backbone interact. energy: 0.197
local terms energy: -412.679345
where:
bonds (distance) C4'-P energy: -98.456
bonds (distance) P-C4' energy: -101.495
flat angles C4'-P-C4' energy: -124.912
flat angles P-C4'-P energy: -67.543
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -637.617974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.617974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.617974 (E_RNA)
where:
Base-Base interactions energy: -314.574
where: short stacking energy: -194.534
Base-Backbone interact. energy: -0.054
local terms energy: -322.990085
where:
bonds (distance) C4'-P energy: -100.514
bonds (distance) P-C4' energy: -91.297
flat angles C4'-P-C4' energy: -65.629
flat angles P-C4'-P energy: -54.943
tors. eta vs tors. theta energy: -10.607
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: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -526.589602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.589602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.589602 (E_RNA)
where:
Base-Base interactions energy: -178.079
where: short stacking energy: -164.553
Base-Backbone interact. energy: -1.522
local terms energy: -346.988906
where:
bonds (distance) C4'-P energy: -100.466
bonds (distance) P-C4' energy: -118.549
flat angles C4'-P-C4' energy: -90.411
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: 9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2117.665827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.665827 (E_RNA)
where:
Base-Base interactions energy: -1440.637
where: short stacking energy: -607.342
Base-Backbone interact. energy: -2.730
local terms energy: -674.298435
where:
bonds (distance) C4'-P energy: -126.596
bonds (distance) P-C4' energy: -131.563
flat angles C4'-P-C4' energy: -141.837
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -187.135
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: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2085.536829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.536829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.536829 (E_RNA)
where:
Base-Base interactions energy: -1430.991
where: short stacking energy: -572.929
Base-Backbone interact. energy: -1.791
local terms energy: -652.755675
where:
bonds (distance) C4'-P energy: -124.051
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -137.667
flat angles P-C4'-P energy: -89.524
tors. eta vs tors. theta energy: -179.816
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: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1921.847742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.847742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.847742 (E_RNA)
where:
Base-Base interactions energy: -1304.332
where: short stacking energy: -561.118
Base-Backbone interact. energy: -2.008
local terms energy: -615.507387
where:
bonds (distance) C4'-P energy: -102.365
bonds (distance) P-C4' energy: -110.682
flat angles C4'-P-C4' energy: -134.480
flat angles P-C4'-P energy: -96.283
tors. eta vs tors. theta energy: -171.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1809.829633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.829633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.829633 (E_RNA)
where:
Base-Base interactions energy: -1198.012
where: short stacking energy: -510.555
Base-Backbone interact. energy: -1.757
local terms energy: -610.059908
where:
bonds (distance) C4'-P energy: -114.066
bonds (distance) P-C4' energy: -113.544
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: -158.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1610.452972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.452972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.452972 (E_RNA)
where:
Base-Base interactions energy: -1050.729
where: short stacking energy: -472.440
Base-Backbone interact. energy: 0.590
local terms energy: -560.314072
where:
bonds (distance) C4'-P energy: -108.594
bonds (distance) P-C4' energy: -109.260
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -78.744
tors. eta vs tors. theta energy: -137.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1419.880496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.880496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.880496 (E_RNA)
where:
Base-Base interactions energy: -905.166
where: short stacking energy: -406.612
Base-Backbone interact. energy: -1.367
local terms energy: -513.348107
where:
bonds (distance) C4'-P energy: -112.149
bonds (distance) P-C4' energy: -112.473
flat angles C4'-P-C4' energy: -120.455
flat angles P-C4'-P energy: -68.394
tors. eta vs tors. theta energy: -99.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1006.830530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.830530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.830530 (E_RNA)
where:
Base-Base interactions energy: -585.503
where: short stacking energy: -292.386
Base-Backbone interact. energy: -0.483
local terms energy: -420.844538
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -95.730
flat angles P-C4'-P energy: -69.597
tors. eta vs tors. theta energy: -40.668
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: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -841.585034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.585034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.585034 (E_RNA)
where:
Base-Base interactions energy: -433.940
where: short stacking energy: -219.250
Base-Backbone interact. energy: 0.889
local terms energy: -408.534032
where:
bonds (distance) C4'-P energy: -111.180
bonds (distance) P-C4' energy: -111.058
flat angles C4'-P-C4' energy: -101.140
flat angles P-C4'-P energy: -67.984
tors. eta vs tors. theta energy: -17.173
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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -573.444213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.444213 (E_RNA)
where:
Base-Base interactions energy: -218.289
where: short stacking energy: -172.536
Base-Backbone interact. energy: -1.620
local terms energy: -353.534957
where:
bonds (distance) C4'-P energy: -85.240
bonds (distance) P-C4' energy: -119.984
flat angles C4'-P-C4' energy: -88.741
flat angles P-C4'-P energy: -48.167
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -507.948133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.948133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.948133 (E_RNA)
where:
Base-Base interactions energy: -190.751
where: short stacking energy: -139.128
Base-Backbone interact. energy: 8.232
local terms energy: -325.429374
where:
bonds (distance) C4'-P energy: -113.747
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -92.486
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: 20.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2092.428978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.428978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.428978 (E_RNA)
where:
Base-Base interactions energy: -1442.883
where: short stacking energy: -606.511
Base-Backbone interact. energy: -3.202
local terms energy: -646.344254
where:
bonds (distance) C4'-P energy: -111.597
bonds (distance) P-C4' energy: -120.543
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -109.313
tors. eta vs tors. theta energy: -179.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2067.775190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.775190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.775190 (E_RNA)
where:
Base-Base interactions energy: -1445.392
where: short stacking energy: -604.923
Base-Backbone interact. energy: -3.868
local terms energy: -618.514574
where:
bonds (distance) C4'-P energy: -113.396
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -131.027
flat angles P-C4'-P energy: -96.871
tors. eta vs tors. theta energy: -174.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1955.929292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.929292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.929292 (E_RNA)
where:
Base-Base interactions energy: -1331.110
where: short stacking energy: -558.014
Base-Backbone interact. energy: -2.752
local terms energy: -622.067360
where:
bonds (distance) C4'-P energy: -114.372
bonds (distance) P-C4' energy: -119.288
flat angles C4'-P-C4' energy: -126.955
flat angles P-C4'-P energy: -97.132
tors. eta vs tors. theta energy: -164.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1796.856393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.856393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.856393 (E_RNA)
where:
Base-Base interactions energy: -1226.735
where: short stacking energy: -503.885
Base-Backbone interact. energy: 1.952
local terms energy: -572.073604
where:
bonds (distance) C4'-P energy: -100.400
bonds (distance) P-C4' energy: -115.515
flat angles C4'-P-C4' energy: -124.674
flat angles P-C4'-P energy: -81.762
tors. eta vs tors. theta energy: -149.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1620.882819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.882819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.882819 (E_RNA)
where:
Base-Base interactions energy: -1061.873
where: short stacking energy: -457.937
Base-Backbone interact. energy: -1.528
local terms energy: -557.481160
where:
bonds (distance) C4'-P energy: -115.958
bonds (distance) P-C4' energy: -112.833
flat angles C4'-P-C4' energy: -120.903
flat angles P-C4'-P energy: -76.554
tors. eta vs tors. theta energy: -131.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1446.331001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.331001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.331001 (E_RNA)
where:
Base-Base interactions energy: -911.229
where: short stacking energy: -396.884
Base-Backbone interact. energy: 2.773
local terms energy: -537.875514
where:
bonds (distance) C4'-P energy: -117.493
bonds (distance) P-C4' energy: -121.189
flat angles C4'-P-C4' energy: -126.960
flat angles P-C4'-P energy: -63.934
tors. eta vs tors. theta energy: -108.300
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: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1050.073759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.073759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.073759 (E_RNA)
where:
Base-Base interactions energy: -630.302
where: short stacking energy: -319.391
Base-Backbone interact. energy: -1.074
local terms energy: -418.697707
where:
bonds (distance) C4'-P energy: -89.264
bonds (distance) P-C4' energy: -98.701
flat angles C4'-P-C4' energy: -97.764
flat angles P-C4'-P energy: -70.507
tors. eta vs tors. theta energy: -62.461
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -873.746724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.746724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.746724 (E_RNA)
where:
Base-Base interactions energy: -477.859
where: short stacking energy: -259.994
Base-Backbone interact. energy: -2.073
local terms energy: -393.814915
where:
bonds (distance) C4'-P energy: -85.341
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -106.916
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -29.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -550.906464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.906464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.906464 (E_RNA)
where:
Base-Base interactions energy: -242.195
where: short stacking energy: -191.170
Base-Backbone interact. energy: 3.344
local terms energy: -312.055347
where:
bonds (distance) C4'-P energy: -88.320
bonds (distance) P-C4' energy: -105.612
flat angles C4'-P-C4' energy: -80.787
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: 6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -612.141444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.141444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.141444 (E_RNA)
where:
Base-Base interactions energy: -288.702
where: short stacking energy: -174.781
Base-Backbone interact. energy: 4.900
local terms energy: -328.338631
where:
bonds (distance) C4'-P energy: -103.906
bonds (distance) P-C4' energy: -100.762
flat angles C4'-P-C4' energy: -90.902
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: 8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2109.573412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.573412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.573412 (E_RNA)
where:
Base-Base interactions energy: -1434.905
where: short stacking energy: -599.224
Base-Backbone interact. energy: -1.468
local terms energy: -673.200889
where:
bonds (distance) C4'-P energy: -111.175
bonds (distance) P-C4' energy: -134.652
flat angles C4'-P-C4' energy: -142.779
flat angles P-C4'-P energy: -101.628
tors. eta vs tors. theta energy: -182.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2097.284494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.284494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.284494 (E_RNA)
where:
Base-Base interactions energy: -1444.403
where: short stacking energy: -582.367
Base-Backbone interact. energy: -0.783
local terms energy: -652.097717
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -121.663
flat angles C4'-P-C4' energy: -132.774
flat angles P-C4'-P energy: -97.740
tors. eta vs tors. theta energy: -181.727
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: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1929.508437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.508437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.508437 (E_RNA)
where:
Base-Base interactions energy: -1291.857
where: short stacking energy: -538.326
Base-Backbone interact. energy: -3.656
local terms energy: -633.994836
where:
bonds (distance) C4'-P energy: -122.535
bonds (distance) P-C4' energy: -126.348
flat angles C4'-P-C4' energy: -125.502
flat angles P-C4'-P energy: -90.600
tors. eta vs tors. theta energy: -169.010
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: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1776.014998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.014998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.014998 (E_RNA)
where:
Base-Base interactions energy: -1205.131
where: short stacking energy: -500.108
Base-Backbone interact. energy: -1.368
local terms energy: -569.515639
where:
bonds (distance) C4'-P energy: -94.558
bonds (distance) P-C4' energy: -113.696
flat angles C4'-P-C4' energy: -121.777
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -151.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1625.746120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.746120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.746120 (E_RNA)
where:
Base-Base interactions energy: -1059.873
where: short stacking energy: -472.049
Base-Backbone interact. energy: -3.988
local terms energy: -561.885206
where:
bonds (distance) C4'-P energy: -108.233
bonds (distance) P-C4' energy: -104.504
flat angles C4'-P-C4' energy: -133.691
flat angles P-C4'-P energy: -75.021
tors. eta vs tors. theta energy: -140.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1508.722851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.722851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.722851 (E_RNA)
where:
Base-Base interactions energy: -1004.818
where: short stacking energy: -470.022
Base-Backbone interact. energy: -1.186
local terms energy: -502.719075
where:
bonds (distance) C4'-P energy: -110.743
bonds (distance) P-C4' energy: -79.496
flat angles C4'-P-C4' energy: -116.459
flat angles P-C4'-P energy: -59.256
tors. eta vs tors. theta energy: -136.765
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: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1004.226047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.226047 (E_RNA)
where:
Base-Base interactions energy: -575.939
where: short stacking energy: -314.989
Base-Backbone interact. energy: 0.020
local terms energy: -428.307109
where:
bonds (distance) C4'-P energy: -93.232
bonds (distance) P-C4' energy: -118.022
flat angles C4'-P-C4' energy: -103.635
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -55.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -905.640299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.640299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.640299 (E_RNA)
where:
Base-Base interactions energy: -507.984
where: short stacking energy: -259.834
Base-Backbone interact. energy: -2.352
local terms energy: -395.304907
where:
bonds (distance) C4'-P energy: -100.494
bonds (distance) P-C4' energy: -109.893
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -38.841
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -571.566176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.566176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.566176 (E_RNA)
where:
Base-Base interactions energy: -250.486
where: short stacking energy: -160.015
Base-Backbone interact. energy: 1.808
local terms energy: -322.888084
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -94.734
flat angles P-C4'-P energy: -61.677
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -535.345970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.345970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.345970 (E_RNA)
where:
Base-Base interactions energy: -200.434
where: short stacking energy: -146.614
Base-Backbone interact. energy: -0.190
local terms energy: -334.721934
where:
bonds (distance) C4'-P energy: -99.309
bonds (distance) P-C4' energy: -107.417
flat angles C4'-P-C4' energy: -96.584
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: 17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2069.832478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.832478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.832478 (E_RNA)
where:
Base-Base interactions energy: -1432.726
where: short stacking energy: -580.769
Base-Backbone interact. energy: 0.797
local terms energy: -637.902979
where:
bonds (distance) C4'-P energy: -115.450
bonds (distance) P-C4' energy: -117.342
flat angles C4'-P-C4' energy: -137.598
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -181.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2119.623666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.623666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.623666 (E_RNA)
where:
Base-Base interactions energy: -1469.909
where: short stacking energy: -615.776
Base-Backbone interact. energy: -4.975
local terms energy: -644.739646
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -127.504
flat angles C4'-P-C4' energy: -135.809
flat angles P-C4'-P energy: -85.682
tors. eta vs tors. theta energy: -191.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1903.684335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.684335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.684335 (E_RNA)
where:
Base-Base interactions energy: -1285.077
where: short stacking energy: -559.363
Base-Backbone interact. energy: -0.287
local terms energy: -618.320095
where:
bonds (distance) C4'-P energy: -103.286
bonds (distance) P-C4' energy: -125.748
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -99.292
tors. eta vs tors. theta energy: -165.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1797.921676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.921676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.921676 (E_RNA)
where:
Base-Base interactions energy: -1208.948
where: short stacking energy: -491.626
Base-Backbone interact. energy: -1.049
local terms energy: -587.924058
where:
bonds (distance) C4'-P energy: -122.569
bonds (distance) P-C4' energy: -118.921
flat angles C4'-P-C4' energy: -118.262
flat angles P-C4'-P energy: -82.507
tors. eta vs tors. theta energy: -145.665
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: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1571.573721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.573721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.573721 (E_RNA)
where:
Base-Base interactions energy: -1008.389
where: short stacking energy: -467.164
Base-Backbone interact. energy: 0.071
local terms energy: -563.255503
where:
bonds (distance) C4'-P energy: -106.380
bonds (distance) P-C4' energy: -105.349
flat angles C4'-P-C4' energy: -126.292
flat angles P-C4'-P energy: -80.474
tors. eta vs tors. theta energy: -144.761
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: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1480.697598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.697598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.697598 (E_RNA)
where:
Base-Base interactions energy: -947.570
where: short stacking energy: -421.270
Base-Backbone interact. energy: 0.459
local terms energy: -533.586239
where:
bonds (distance) C4'-P energy: -88.276
bonds (distance) P-C4' energy: -115.901
flat angles C4'-P-C4' energy: -132.473
flat angles P-C4'-P energy: -70.805
tors. eta vs tors. theta energy: -126.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -839.147606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.147606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.147606 (E_RNA)
where:
Base-Base interactions energy: -419.733
where: short stacking energy: -236.451
Base-Backbone interact. energy: -1.953
local terms energy: -417.461437
where:
bonds (distance) C4'-P energy: -103.558
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -115.235
flat angles P-C4'-P energy: -68.872
tors. eta vs tors. theta energy: -20.473
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: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -944.219743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.219743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.219743 (E_RNA)
where:
Base-Base interactions energy: -543.103
where: short stacking energy: -260.510
Base-Backbone interact. energy: 0.644
local terms energy: -401.761122
where:
bonds (distance) C4'-P energy: -106.659
bonds (distance) P-C4' energy: -108.723
flat angles C4'-P-C4' energy: -111.823
flat angles P-C4'-P energy: -52.123
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -566.362416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.362416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.362416 (E_RNA)
where:
Base-Base interactions energy: -246.680
where: short stacking energy: -183.566
Base-Backbone interact. energy: -1.109
local terms energy: -318.573320
where:
bonds (distance) C4'-P energy: -92.090
bonds (distance) P-C4' energy: -106.421
flat angles C4'-P-C4' energy: -82.566
flat angles P-C4'-P energy: -39.411
tors. eta vs tors. theta energy: 1.915
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -479.773160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.773160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.773160 (E_RNA)
where:
Base-Base interactions energy: -186.092
where: short stacking energy: -157.722
Base-Backbone interact. energy: 0.659
local terms energy: -294.340257
where:
bonds (distance) C4'-P energy: -82.611
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: 12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2116.306653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.306653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.306653 (E_RNA)
where:
Base-Base interactions energy: -1447.165
where: short stacking energy: -615.573
Base-Backbone interact. energy: -2.278
local terms energy: -666.863743
where:
bonds (distance) C4'-P energy: -119.378
bonds (distance) P-C4' energy: -126.424
flat angles C4'-P-C4' energy: -139.913
flat angles P-C4'-P energy: -91.661
tors. eta vs tors. theta energy: -189.488
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2089.858862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.858862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.858862 (E_RNA)
where:
Base-Base interactions energy: -1426.315
where: short stacking energy: -588.870
Base-Backbone interact. energy: -2.734
local terms energy: -660.809465
where:
bonds (distance) C4'-P energy: -117.266
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -137.270
flat angles P-C4'-P energy: -97.678
tors. eta vs tors. theta energy: -177.728
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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1892.595194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.595194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.595194 (E_RNA)
where:
Base-Base interactions energy: -1276.651
where: short stacking energy: -537.053
Base-Backbone interact. energy: -4.696
local terms energy: -611.248415
where:
bonds (distance) C4'-P energy: -99.136
bonds (distance) P-C4' energy: -128.831
flat angles C4'-P-C4' energy: -132.669
flat angles P-C4'-P energy: -93.871
tors. eta vs tors. theta energy: -156.742
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1787.836869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.836869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.836869 (E_RNA)
where:
Base-Base interactions energy: -1197.333
where: short stacking energy: -512.329
Base-Backbone interact. energy: -1.894
local terms energy: -588.610466
where:
bonds (distance) C4'-P energy: -119.687
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -133.263
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -152.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1628.249015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.249015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.249015 (E_RNA)
where:
Base-Base interactions energy: -1071.890
where: short stacking energy: -467.718
Base-Backbone interact. energy: 0.505
local terms energy: -556.863857
where:
bonds (distance) C4'-P energy: -106.876
bonds (distance) P-C4' energy: -118.099
flat angles C4'-P-C4' energy: -118.162
flat angles P-C4'-P energy: -72.894
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: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1484.263727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.263727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.263727 (E_RNA)
where:
Base-Base interactions energy: -977.775
where: short stacking energy: -426.839
Base-Backbone interact. energy: 0.946
local terms energy: -507.434849
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -102.975
flat angles C4'-P-C4' energy: -124.144
flat angles P-C4'-P energy: -79.591
tors. eta vs tors. theta energy: -110.597
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: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -957.768568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.768568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.768568 (E_RNA)
where:
Base-Base interactions energy: -553.134
where: short stacking energy: -264.048
Base-Backbone interact. energy: -0.345
local terms energy: -404.289729
where:
bonds (distance) C4'-P energy: -103.479
bonds (distance) P-C4' energy: -119.407
flat angles C4'-P-C4' energy: -100.356
flat angles P-C4'-P energy: -53.587
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -954.212247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.212247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.212247 (E_RNA)
where:
Base-Base interactions energy: -580.081
where: short stacking energy: -267.405
Base-Backbone interact. energy: 0.246
local terms energy: -374.377069
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -97.793
flat angles C4'-P-C4' energy: -107.383
flat angles P-C4'-P energy: -50.541
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: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -572.679369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.679369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.679369 (E_RNA)
where:
Base-Base interactions energy: -237.265
where: short stacking energy: -151.174
Base-Backbone interact. energy: 5.580
local terms energy: -340.993710
where:
bonds (distance) C4'-P energy: -107.308
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -87.490
flat angles P-C4'-P energy: -51.834
tors. eta vs tors. theta energy: 20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -484.944007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.944007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.944007 (E_RNA)
where:
Base-Base interactions energy: -170.842
where: short stacking energy: -143.643
Base-Backbone interact. energy: -1.094
local terms energy: -313.008146
where:
bonds (distance) C4'-P energy: -111.367
bonds (distance) P-C4' energy: -86.928
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -69.972
tors. eta vs tors. theta energy: 20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2097.393483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.393483 (E_RNA)
where:
Base-Base interactions energy: -1449.606
where: short stacking energy: -587.481
Base-Backbone interact. energy: -2.104
local terms energy: -645.683282
where:
bonds (distance) C4'-P energy: -118.387
bonds (distance) P-C4' energy: -117.656
flat angles C4'-P-C4' energy: -151.125
flat angles P-C4'-P energy: -86.069
tors. eta vs tors. theta energy: -172.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2076.923665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.923665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.923665 (E_RNA)
where:
Base-Base interactions energy: -1405.076
where: short stacking energy: -579.044
Base-Backbone interact. energy: 1.140
local terms energy: -672.987756
where:
bonds (distance) C4'-P energy: -120.543
bonds (distance) P-C4' energy: -128.916
flat angles C4'-P-C4' energy: -140.035
flat angles P-C4'-P energy: -100.577
tors. eta vs tors. theta energy: -182.917
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: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1914.560297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.560297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.560297 (E_RNA)
where:
Base-Base interactions energy: -1312.166
where: short stacking energy: -528.830
Base-Backbone interact. energy: 0.124
local terms energy: -602.518480
where:
bonds (distance) C4'-P energy: -116.574
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -117.412
flat angles P-C4'-P energy: -93.719
tors. eta vs tors. theta energy: -164.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1800.394625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.394625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.394625 (E_RNA)
where:
Base-Base interactions energy: -1186.508
where: short stacking energy: -504.877
Base-Backbone interact. energy: -2.704
local terms energy: -611.182846
where:
bonds (distance) C4'-P energy: -113.879
bonds (distance) P-C4' energy: -120.966
flat angles C4'-P-C4' energy: -145.756
flat angles P-C4'-P energy: -94.199
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: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1607.025577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.025577 (E_RNA)
where:
Base-Base interactions energy: -1043.757
where: short stacking energy: -474.734
Base-Backbone interact. energy: -3.021
local terms energy: -560.247821
where:
bonds (distance) C4'-P energy: -109.621
bonds (distance) P-C4' energy: -112.116
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -77.417
tors. eta vs tors. theta energy: -135.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1432.515556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.515556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.515556 (E_RNA)
where:
Base-Base interactions energy: -933.052
where: short stacking energy: -419.523
Base-Backbone interact. energy: -0.041
local terms energy: -499.422676
where:
bonds (distance) C4'-P energy: -104.982
bonds (distance) P-C4' energy: -108.982
flat angles C4'-P-C4' energy: -119.021
flat angles P-C4'-P energy: -64.204
tors. eta vs tors. theta energy: -102.233
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: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1042.093113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.093113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.093113 (E_RNA)
where:
Base-Base interactions energy: -636.259
where: short stacking energy: -322.291
Base-Backbone interact. energy: 0.458
local terms energy: -406.292653
where:
bonds (distance) C4'-P energy: -109.554
bonds (distance) P-C4' energy: -97.061
flat angles C4'-P-C4' energy: -90.705
flat angles P-C4'-P energy: -64.537
tors. eta vs tors. theta energy: -44.436
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: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -898.708773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.708773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.708773 (E_RNA)
where:
Base-Base interactions energy: -532.687
where: short stacking energy: -249.968
Base-Backbone interact. energy: 6.803
local terms energy: -372.825641
where:
bonds (distance) C4'-P energy: -107.585
bonds (distance) P-C4' energy: -93.372
flat angles C4'-P-C4' energy: -85.094
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -598.103660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.103660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.103660 (E_RNA)
where:
Base-Base interactions energy: -265.739
where: short stacking energy: -166.076
Base-Backbone interact. energy: -3.100
local terms energy: -329.263829
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -101.310
flat angles C4'-P-C4' energy: -92.973
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: 26.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -480.722361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.722361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.722361 (E_RNA)
where:
Base-Base interactions energy: -154.093
where: short stacking energy: -138.123
Base-Backbone interact. energy: -4.097
local terms energy: -322.531932
where:
bonds (distance) C4'-P energy: -97.296
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -75.846
flat angles P-C4'-P energy: -62.735
tors. eta vs tors. theta energy: 11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2087.512868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.512868 (E_RNA)
where:
Base-Base interactions energy: -1436.071
where: short stacking energy: -568.940
Base-Backbone interact. energy: -5.094
local terms energy: -646.347794
where:
bonds (distance) C4'-P energy: -125.414
bonds (distance) P-C4' energy: -122.581
flat angles C4'-P-C4' energy: -141.214
flat angles P-C4'-P energy: -96.542
tors. eta vs tors. theta energy: -160.596
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: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2093.434779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.434779 (E_RNA)
where:
Base-Base interactions energy: -1426.571
where: short stacking energy: -617.706
Base-Backbone interact. energy: -0.387
local terms energy: -666.477229
where:
bonds (distance) C4'-P energy: -120.899
bonds (distance) P-C4' energy: -123.340
flat angles C4'-P-C4' energy: -144.017
flat angles P-C4'-P energy: -88.725
tors. eta vs tors. theta energy: -189.496
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: 253
Temperature: 1.000000
Total energy: -1925.062046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.062046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.062046 (E_RNA)
where:
Base-Base interactions energy: -1310.907
where: short stacking energy: -544.440
Base-Backbone interact. energy: -3.006
local terms energy: -611.149469
where:
bonds (distance) C4'-P energy: -104.695
bonds (distance) P-C4' energy: -128.346
flat angles C4'-P-C4' energy: -133.958
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -161.979
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1812.578702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.578702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.578702 (E_RNA)
where:
Base-Base interactions energy: -1212.056
where: short stacking energy: -510.051
Base-Backbone interact. energy: -3.319
local terms energy: -597.204490
where:
bonds (distance) C4'-P energy: -120.735
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -119.233
flat angles P-C4'-P energy: -84.272
tors. eta vs tors. theta energy: -156.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1626.406230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.406230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.406230 (E_RNA)
where:
Base-Base interactions energy: -1071.853
where: short stacking energy: -489.035
Base-Backbone interact. energy: -2.302
local terms energy: -552.250958
where:
bonds (distance) C4'-P energy: -115.673
bonds (distance) P-C4' energy: -95.314
flat angles C4'-P-C4' energy: -121.477
flat angles P-C4'-P energy: -77.238
tors. eta vs tors. theta energy: -142.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1459.839004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.839004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.839004 (E_RNA)
where:
Base-Base interactions energy: -923.523
where: short stacking energy: -410.033
Base-Backbone interact. energy: -1.189
local terms energy: -535.126586
where:
bonds (distance) C4'-P energy: -119.181
bonds (distance) P-C4' energy: -104.774
flat angles C4'-P-C4' energy: -128.573
flat angles P-C4'-P energy: -76.586
tors. eta vs tors. theta energy: -106.013
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: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1085.217165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.217165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.217165 (E_RNA)
where:
Base-Base interactions energy: -633.071
where: short stacking energy: -292.855
Base-Backbone interact. energy: -4.177
local terms energy: -447.968630
where:
bonds (distance) C4'-P energy: -110.697
bonds (distance) P-C4' energy: -107.415
flat angles C4'-P-C4' energy: -114.972
flat angles P-C4'-P energy: -66.071
tors. eta vs tors. theta energy: -48.815
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: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -940.184645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.184645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.184645 (E_RNA)
where:
Base-Base interactions energy: -537.862
where: short stacking energy: -292.934
Base-Backbone interact. energy: 4.799
local terms energy: -407.121087
where:
bonds (distance) C4'-P energy: -100.149
bonds (distance) P-C4' energy: -99.024
flat angles C4'-P-C4' energy: -97.029
flat angles P-C4'-P energy: -65.999
tors. eta vs tors. theta energy: -44.921
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: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -609.731247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.731247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.731247 (E_RNA)
where:
Base-Base interactions energy: -267.271
where: short stacking energy: -174.649
Base-Backbone interact. energy: 4.466
local terms energy: -346.925956
where:
bonds (distance) C4'-P energy: -104.050
bonds (distance) P-C4' energy: -107.662
flat angles C4'-P-C4' energy: -86.430
flat angles P-C4'-P energy: -53.890
tors. eta vs tors. theta energy: 5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -480.792973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.792973 (E_RNA)
where:
Base-Base interactions energy: -176.157
where: short stacking energy: -135.122
Base-Backbone interact. energy: 1.354
local terms energy: -305.990104
where:
bonds (distance) C4'-P energy: -106.049
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -71.996
flat angles P-C4'-P energy: -48.365
tors. eta vs tors. theta energy: 24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2124.656311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.656311 (E_RNA)
where:
Base-Base interactions energy: -1469.788
where: short stacking energy: -609.435
Base-Backbone interact. energy: -3.799
local terms energy: -651.069589
where:
bonds (distance) C4'-P energy: -120.547
bonds (distance) P-C4' energy: -116.573
flat angles C4'-P-C4' energy: -131.727
flat angles P-C4'-P energy: -100.617
tors. eta vs tors. theta energy: -181.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2071.975319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.975319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.975319 (E_RNA)
where:
Base-Base interactions energy: -1433.600
where: short stacking energy: -605.444
Base-Backbone interact. energy: -1.046
local terms energy: -637.329152
where:
bonds (distance) C4'-P energy: -113.166
bonds (distance) P-C4' energy: -121.368
flat angles C4'-P-C4' energy: -137.015
flat angles P-C4'-P energy: -93.057
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1943.261953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.261953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.261953 (E_RNA)
where:
Base-Base interactions energy: -1348.030
where: short stacking energy: -570.521
Base-Backbone interact. energy: -2.120
local terms energy: -593.112020
where:
bonds (distance) C4'-P energy: -104.438
bonds (distance) P-C4' energy: -112.443
flat angles C4'-P-C4' energy: -124.542
flat angles P-C4'-P energy: -84.350
tors. eta vs tors. theta energy: -167.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1804.199617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.199617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.199617 (E_RNA)
where:
Base-Base interactions energy: -1231.985
where: short stacking energy: -498.989
Base-Backbone interact. energy: 2.317
local terms energy: -574.532042
where:
bonds (distance) C4'-P energy: -121.237
bonds (distance) P-C4' energy: -109.958
flat angles C4'-P-C4' energy: -121.842
flat angles P-C4'-P energy: -74.548
tors. eta vs tors. theta energy: -146.947
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: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1511.722965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.722965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.722965 (E_RNA)
where:
Base-Base interactions energy: -1002.415
where: short stacking energy: -427.206
Base-Backbone interact. energy: 3.605
local terms energy: -512.912660
where:
bonds (distance) C4'-P energy: -81.895
bonds (distance) P-C4' energy: -111.779
flat angles C4'-P-C4' energy: -128.778
flat angles P-C4'-P energy: -83.000
tors. eta vs tors. theta energy: -107.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1428.270912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.270912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.270912 (E_RNA)
where:
Base-Base interactions energy: -920.842
where: short stacking energy: -390.070
Base-Backbone interact. energy: -0.683
local terms energy: -506.745498
where:
bonds (distance) C4'-P energy: -108.758
bonds (distance) P-C4' energy: -98.804
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -76.022
tors. eta vs tors. theta energy: -102.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1113.746597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.746597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.746597 (E_RNA)
where:
Base-Base interactions energy: -702.780
where: short stacking energy: -317.830
Base-Backbone interact. energy: -1.209
local terms energy: -409.757497
where:
bonds (distance) C4'-P energy: -99.328
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -98.060
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -71.375
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: 254
Temperature: 1.250000
Total energy: -911.124804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.124804 (E_RNA)
where:
Base-Base interactions energy: -519.070
where: short stacking energy: -240.669
Base-Backbone interact. energy: 0.513
local terms energy: -392.567195
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -98.200
flat angles P-C4'-P energy: -77.021
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -554.770503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.770503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.770503 (E_RNA)
where:
Base-Base interactions energy: -209.196
where: short stacking energy: -143.480
Base-Backbone interact. energy: 7.278
local terms energy: -352.852553
where:
bonds (distance) C4'-P energy: -103.144
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -91.292
flat angles P-C4'-P energy: -58.199
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -479.675115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.675115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.675115 (E_RNA)
where:
Base-Base interactions energy: -166.230
where: short stacking energy: -114.036
Base-Backbone interact. energy: 2.783
local terms energy: -316.228544
where:
bonds (distance) C4'-P energy: -102.479
bonds (distance) P-C4' energy: -98.641
flat angles C4'-P-C4' energy: -89.057
flat angles P-C4'-P energy: -53.908
tors. eta vs tors. theta energy: 27.856
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: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2091.427611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.427611 (E_RNA)
where:
Base-Base interactions energy: -1437.541
where: short stacking energy: -578.403
Base-Backbone interact. energy: -1.029
local terms energy: -652.857757
where:
bonds (distance) C4'-P energy: -122.851
bonds (distance) P-C4' energy: -117.702
flat angles C4'-P-C4' energy: -138.805
flat angles P-C4'-P energy: -94.667
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: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2075.186939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.186939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.186939 (E_RNA)
where:
Base-Base interactions energy: -1441.277
where: short stacking energy: -608.450
Base-Backbone interact. energy: 3.955
local terms energy: -637.865152
where:
bonds (distance) C4'-P energy: -120.368
bonds (distance) P-C4' energy: -120.732
flat angles C4'-P-C4' energy: -120.538
flat angles P-C4'-P energy: -95.088
tors. eta vs tors. theta energy: -181.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1946.988047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.988047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.988047 (E_RNA)
where:
Base-Base interactions energy: -1310.407
where: short stacking energy: -547.630
Base-Backbone interact. energy: -2.112
local terms energy: -634.469231
where:
bonds (distance) C4'-P energy: -121.607
bonds (distance) P-C4' energy: -118.316
flat angles C4'-P-C4' energy: -133.069
flat angles P-C4'-P energy: -87.599
tors. eta vs tors. theta energy: -173.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1795.748796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.748796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.748796 (E_RNA)
where:
Base-Base interactions energy: -1212.760
where: short stacking energy: -509.126
Base-Backbone interact. energy: -0.773
local terms energy: -582.216038
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -125.902
flat angles P-C4'-P energy: -76.030
tors. eta vs tors. theta energy: -150.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1571.831374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.831374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.831374 (E_RNA)
where:
Base-Base interactions energy: -1003.863
where: short stacking energy: -464.932
Base-Backbone interact. energy: -0.542
local terms energy: -567.426478
where:
bonds (distance) C4'-P energy: -112.467
bonds (distance) P-C4' energy: -109.389
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -86.871
tors. eta vs tors. theta energy: -139.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1459.609200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.609200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.609200 (E_RNA)
where:
Base-Base interactions energy: -928.145
where: short stacking energy: -430.677
Base-Backbone interact. energy: 0.363
local terms energy: -531.826800
where:
bonds (distance) C4'-P energy: -109.468
bonds (distance) P-C4' energy: -115.758
flat angles C4'-P-C4' energy: -112.806
flat angles P-C4'-P energy: -69.121
tors. eta vs tors. theta energy: -124.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1139.682024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.682024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.682024 (E_RNA)
where:
Base-Base interactions energy: -677.774
where: short stacking energy: -305.748
Base-Backbone interact. energy: -1.877
local terms energy: -460.031087
where:
bonds (distance) C4'-P energy: -111.467
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -114.457
flat angles P-C4'-P energy: -58.561
tors. eta vs tors. theta energy: -75.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -922.535306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.535306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.535306 (E_RNA)
where:
Base-Base interactions energy: -520.259
where: short stacking energy: -245.986
Base-Backbone interact. energy: -1.972
local terms energy: -400.304332
where:
bonds (distance) C4'-P energy: -95.505
bonds (distance) P-C4' energy: -107.305
flat angles C4'-P-C4' energy: -91.911
flat angles P-C4'-P energy: -64.645
tors. eta vs tors. theta energy: -40.939
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: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -590.718575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.718575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.718575 (E_RNA)
where:
Base-Base interactions energy: -277.752
where: short stacking energy: -158.749
Base-Backbone interact. energy: 10.600
local terms energy: -323.566839
where:
bonds (distance) C4'-P energy: -80.802
bonds (distance) P-C4' energy: -117.419
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: 12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -499.425545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.425545 (E_RNA)
where:
Base-Base interactions energy: -198.487
where: short stacking energy: -127.868
Base-Backbone interact. energy: -1.674
local terms energy: -299.264710
where:
bonds (distance) C4'-P energy: -90.450
bonds (distance) P-C4' energy: -104.358
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: 16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2099.379127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.379127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.379127 (E_RNA)
where:
Base-Base interactions energy: -1436.804
where: short stacking energy: -613.893
Base-Backbone interact. energy: -1.906
local terms energy: -660.668848
where:
bonds (distance) C4'-P energy: -120.365
bonds (distance) P-C4' energy: -113.988
flat angles C4'-P-C4' energy: -139.589
flat angles P-C4'-P energy: -95.184
tors. eta vs tors. theta energy: -191.543
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: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2065.558164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.558164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.558164 (E_RNA)
where:
Base-Base interactions energy: -1410.010
where: short stacking energy: -587.465
Base-Backbone interact. energy: 2.619
local terms energy: -658.167649
where:
bonds (distance) C4'-P energy: -124.790
bonds (distance) P-C4' energy: -123.669
flat angles C4'-P-C4' energy: -143.650
flat angles P-C4'-P energy: -86.005
tors. eta vs tors. theta energy: -180.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1921.917430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.917430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.917430 (E_RNA)
where:
Base-Base interactions energy: -1304.078
where: short stacking energy: -558.457
Base-Backbone interact. energy: -2.173
local terms energy: -615.666762
where:
bonds (distance) C4'-P energy: -112.447
bonds (distance) P-C4' energy: -109.006
flat angles C4'-P-C4' energy: -140.392
flat angles P-C4'-P energy: -88.505
tors. eta vs tors. theta energy: -165.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1879.591706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.591706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.591706 (E_RNA)
where:
Base-Base interactions energy: -1270.574
where: short stacking energy: -506.631
Base-Backbone interact. energy: -1.005
local terms energy: -608.013145
where:
bonds (distance) C4'-P energy: -122.503
bonds (distance) P-C4' energy: -115.046
flat angles C4'-P-C4' energy: -123.959
flat angles P-C4'-P energy: -82.056
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: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1570.285776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.285776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.285776 (E_RNA)
where:
Base-Base interactions energy: -1033.864
where: short stacking energy: -441.959
Base-Backbone interact. energy: -0.393
local terms energy: -536.028594
where:
bonds (distance) C4'-P energy: -113.923
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -122.837
flat angles P-C4'-P energy: -64.723
tors. eta vs tors. theta energy: -128.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1501.234285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.234285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.234285 (E_RNA)
where:
Base-Base interactions energy: -1006.353
where: short stacking energy: -469.230
Base-Backbone interact. energy: -1.670
local terms energy: -493.211637
where:
bonds (distance) C4'-P energy: -85.110
bonds (distance) P-C4' energy: -100.388
flat angles C4'-P-C4' energy: -116.904
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -131.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1091.200496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.200496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.200496 (E_RNA)
where:
Base-Base interactions energy: -668.913
where: short stacking energy: -312.856
Base-Backbone interact. energy: 3.516
local terms energy: -425.803432
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -99.371
flat angles C4'-P-C4' energy: -101.303
flat angles P-C4'-P energy: -55.745
tors. eta vs tors. theta energy: -67.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -965.533734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.533734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.533734 (E_RNA)
where:
Base-Base interactions energy: -571.384
where: short stacking energy: -264.719
Base-Backbone interact. energy: 10.274
local terms energy: -404.422837
where:
bonds (distance) C4'-P energy: -112.457
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -78.713
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -38.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -662.475462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.475462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.475462 (E_RNA)
where:
Base-Base interactions energy: -305.298
where: short stacking energy: -166.005
Base-Backbone interact. energy: -2.460
local terms energy: -354.717783
where:
bonds (distance) C4'-P energy: -95.974
bonds (distance) P-C4' energy: -106.827
flat angles C4'-P-C4' energy: -106.667
flat angles P-C4'-P energy: -56.472
tors. eta vs tors. theta energy: 11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -489.357714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.357714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.357714 (E_RNA)
where:
Base-Base interactions energy: -188.324
where: short stacking energy: -116.847
Base-Backbone interact. energy: -0.188
local terms energy: -300.845783
where:
bonds (distance) C4'-P energy: -101.981
bonds (distance) P-C4' energy: -102.966
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: 10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2111.130184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.130184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.130184 (E_RNA)
where:
Base-Base interactions energy: -1463.934
where: short stacking energy: -612.072
Base-Backbone interact. energy: -2.691
local terms energy: -644.505112
where:
bonds (distance) C4'-P energy: -111.117
bonds (distance) P-C4' energy: -120.264
flat angles C4'-P-C4' energy: -131.663
flat angles P-C4'-P energy: -98.323
tors. eta vs tors. theta energy: -183.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2071.275943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.275943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.275943 (E_RNA)
where:
Base-Base interactions energy: -1433.634
where: short stacking energy: -591.809
Base-Backbone interact. energy: -0.459
local terms energy: -637.183091
where:
bonds (distance) C4'-P energy: -129.500
bonds (distance) P-C4' energy: -106.095
flat angles C4'-P-C4' energy: -124.560
flat angles P-C4'-P energy: -103.727
tors. eta vs tors. theta energy: -173.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1891.499555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.499555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.499555 (E_RNA)
where:
Base-Base interactions energy: -1286.605
where: short stacking energy: -567.188
Base-Backbone interact. energy: -2.662
local terms energy: -602.231813
where:
bonds (distance) C4'-P energy: -112.381
bonds (distance) P-C4' energy: -120.935
flat angles C4'-P-C4' energy: -130.226
flat angles P-C4'-P energy: -78.222
tors. eta vs tors. theta energy: -160.468
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: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1856.057889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.057889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.057889 (E_RNA)
where:
Base-Base interactions energy: -1256.588
where: short stacking energy: -531.260
Base-Backbone interact. energy: -2.194
local terms energy: -597.276034
where:
bonds (distance) C4'-P energy: -98.859
bonds (distance) P-C4' energy: -113.404
flat angles C4'-P-C4' energy: -127.117
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -170.741
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: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1588.422639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.422639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.422639 (E_RNA)
where:
Base-Base interactions energy: -1041.037
where: short stacking energy: -485.994
Base-Backbone interact. energy: -2.596
local terms energy: -544.789664
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -109.238
flat angles C4'-P-C4' energy: -126.807
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -133.098
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: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1496.293940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.293940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.293940 (E_RNA)
where:
Base-Base interactions energy: -961.185
where: short stacking energy: -426.929
Base-Backbone interact. energy: 1.053
local terms energy: -536.161094
where:
bonds (distance) C4'-P energy: -102.508
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -116.008
flat angles P-C4'-P energy: -69.431
tors. eta vs tors. theta energy: -140.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1067.563438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.563438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.563438 (E_RNA)
where:
Base-Base interactions energy: -631.637
where: short stacking energy: -310.155
Base-Backbone interact. energy: -1.322
local terms energy: -434.604853
where:
bonds (distance) C4'-P energy: -114.442
bonds (distance) P-C4' energy: -101.153
flat angles C4'-P-C4' energy: -92.929
flat angles P-C4'-P energy: -68.902
tors. eta vs tors. theta energy: -57.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -919.738209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.738209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.738209 (E_RNA)
where:
Base-Base interactions energy: -540.157
where: short stacking energy: -269.614
Base-Backbone interact. energy: -0.558
local terms energy: -379.023714
where:
bonds (distance) C4'-P energy: -106.485
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -65.135
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -692.137619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.137619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.137619 (E_RNA)
where:
Base-Base interactions energy: -336.124
where: short stacking energy: -206.326
Base-Backbone interact. energy: -0.023
local terms energy: -355.990571
where:
bonds (distance) C4'-P energy: -102.384
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -90.656
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: 9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -460.805399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.805399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.805399 (E_RNA)
where:
Base-Base interactions energy: -170.649
where: short stacking energy: -112.291
Base-Backbone interact. energy: -1.927
local terms energy: -288.229058
where:
bonds (distance) C4'-P energy: -105.725
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -32.866
tors. eta vs tors. theta energy: 41.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2086.242183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.242183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.242183 (E_RNA)
where:
Base-Base interactions energy: -1430.372
where: short stacking energy: -592.900
Base-Backbone interact. energy: -3.150
local terms energy: -652.720566
where:
bonds (distance) C4'-P energy: -114.882
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -133.313
flat angles P-C4'-P energy: -91.977
tors. eta vs tors. theta energy: -179.343
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: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2061.909218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.909218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.909218 (E_RNA)
where:
Base-Base interactions energy: -1426.237
where: short stacking energy: -628.347
Base-Backbone interact. energy: -4.610
local terms energy: -631.062412
where:
bonds (distance) C4'-P energy: -116.667
bonds (distance) P-C4' energy: -108.024
flat angles C4'-P-C4' energy: -135.331
flat angles P-C4'-P energy: -91.206
tors. eta vs tors. theta energy: -179.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1897.892730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.892730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.892730 (E_RNA)
where:
Base-Base interactions energy: -1277.396
where: short stacking energy: -549.897
Base-Backbone interact. energy: -4.151
local terms energy: -616.345190
where:
bonds (distance) C4'-P energy: -109.802
bonds (distance) P-C4' energy: -116.145
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -78.772
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: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1849.044632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.044632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.044632 (E_RNA)
where:
Base-Base interactions energy: -1256.355
where: short stacking energy: -501.977
Base-Backbone interact. energy: -2.434
local terms energy: -590.255134
where:
bonds (distance) C4'-P energy: -111.087
bonds (distance) P-C4' energy: -109.962
flat angles C4'-P-C4' energy: -124.693
flat angles P-C4'-P energy: -88.503
tors. eta vs tors. theta energy: -156.010
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: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1562.459364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.459364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.459364 (E_RNA)
where:
Base-Base interactions energy: -1031.940
where: short stacking energy: -454.622
Base-Backbone interact. energy: -2.131
local terms energy: -528.388581
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -122.493
flat angles C4'-P-C4' energy: -107.890
flat angles P-C4'-P energy: -78.261
tors. eta vs tors. theta energy: -118.295
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: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1516.944075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.944075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.944075 (E_RNA)
where:
Base-Base interactions energy: -990.849
where: short stacking energy: -466.483
Base-Backbone interact. energy: 1.282
local terms energy: -527.377456
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -119.052
flat angles P-C4'-P energy: -86.631
tors. eta vs tors. theta energy: -127.926
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: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1010.422072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.422072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.422072 (E_RNA)
where:
Base-Base interactions energy: -604.793
where: short stacking energy: -302.757
Base-Backbone interact. energy: -4.423
local terms energy: -401.206356
where:
bonds (distance) C4'-P energy: -100.818
bonds (distance) P-C4' energy: -109.849
flat angles C4'-P-C4' energy: -79.666
flat angles P-C4'-P energy: -55.723
tors. eta vs tors. theta energy: -55.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -976.493620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.493620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.493620 (E_RNA)
where:
Base-Base interactions energy: -568.794
where: short stacking energy: -272.265
Base-Backbone interact. energy: -2.003
local terms energy: -405.697271
where:
bonds (distance) C4'-P energy: -102.437
bonds (distance) P-C4' energy: -106.668
flat angles C4'-P-C4' energy: -94.759
flat angles P-C4'-P energy: -58.431
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -628.959408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.959408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.959408 (E_RNA)
where:
Base-Base interactions energy: -307.237
where: short stacking energy: -196.225
Base-Backbone interact. energy: -3.188
local terms energy: -318.533735
where:
bonds (distance) C4'-P energy: -95.158
bonds (distance) P-C4' energy: -100.001
flat angles C4'-P-C4' energy: -87.467
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: 3.876
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -468.870585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.870585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.870585 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -132.286
Base-Backbone interact. energy: -1.001
local terms energy: -304.524069
where:
bonds (distance) C4'-P energy: -91.619
bonds (distance) P-C4' energy: -86.201
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -67.205
tors. eta vs tors. theta energy: 20.696
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: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2091.101718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.101718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.101718 (E_RNA)
where:
Base-Base interactions energy: -1432.838
where: short stacking energy: -577.385
Base-Backbone interact. energy: -2.348
local terms energy: -655.915345
where:
bonds (distance) C4'-P energy: -117.545
bonds (distance) P-C4' energy: -121.160
flat angles C4'-P-C4' energy: -141.035
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -180.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2033.500951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.500951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.500951 (E_RNA)
where:
Base-Base interactions energy: -1394.319
where: short stacking energy: -587.253
Base-Backbone interact. energy: -3.638
local terms energy: -635.544218
where:
bonds (distance) C4'-P energy: -106.521
bonds (distance) P-C4' energy: -118.694
flat angles C4'-P-C4' energy: -136.015
flat angles P-C4'-P energy: -93.846
tors. eta vs tors. theta energy: -180.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1925.039465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.039465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.039465 (E_RNA)
where:
Base-Base interactions energy: -1299.483
where: short stacking energy: -589.958
Base-Backbone interact. energy: -1.530
local terms energy: -624.026214
where:
bonds (distance) C4'-P energy: -115.458
bonds (distance) P-C4' energy: -127.781
flat angles C4'-P-C4' energy: -130.838
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -168.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1824.492032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.492032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.492032 (E_RNA)
where:
Base-Base interactions energy: -1237.394
where: short stacking energy: -531.249
Base-Backbone interact. energy: -0.347
local terms energy: -586.750536
where:
bonds (distance) C4'-P energy: -107.936
bonds (distance) P-C4' energy: -132.126
flat angles C4'-P-C4' energy: -113.743
flat angles P-C4'-P energy: -78.432
tors. eta vs tors. theta energy: -154.513
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1642.770915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.770915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.770915 (E_RNA)
where:
Base-Base interactions energy: -1048.349
where: short stacking energy: -473.597
Base-Backbone interact. energy: -0.089
local terms energy: -594.333191
where:
bonds (distance) C4'-P energy: -123.909
bonds (distance) P-C4' energy: -115.573
flat angles C4'-P-C4' energy: -124.974
flat angles P-C4'-P energy: -83.477
tors. eta vs tors. theta energy: -146.401
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: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1488.878984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.878984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.878984 (E_RNA)
where:
Base-Base interactions energy: -970.725
where: short stacking energy: -428.620
Base-Backbone interact. energy: -2.647
local terms energy: -515.506333
where:
bonds (distance) C4'-P energy: -94.274
bonds (distance) P-C4' energy: -102.393
flat angles C4'-P-C4' energy: -119.606
flat angles P-C4'-P energy: -70.619
tors. eta vs tors. theta energy: -128.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1041.210431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.210431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.210431 (E_RNA)
where:
Base-Base interactions energy: -622.933
where: short stacking energy: -304.705
Base-Backbone interact. energy: -3.048
local terms energy: -415.228876
where:
bonds (distance) C4'-P energy: -104.998
bonds (distance) P-C4' energy: -100.534
flat angles C4'-P-C4' energy: -95.176
flat angles P-C4'-P energy: -60.021
tors. eta vs tors. theta energy: -54.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -891.223380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.223380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.223380 (E_RNA)
where:
Base-Base interactions energy: -499.213
where: short stacking energy: -242.562
Base-Backbone interact. energy: -4.856
local terms energy: -387.153612
where:
bonds (distance) C4'-P energy: -85.781
bonds (distance) P-C4' energy: -107.784
flat angles C4'-P-C4' energy: -90.521
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -36.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -673.561345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.561345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.561345 (E_RNA)
where:
Base-Base interactions energy: -337.601
where: short stacking energy: -174.268
Base-Backbone interact. energy: -3.756
local terms energy: -332.204018
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -102.472
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -566.923612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.923612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.923612 (E_RNA)
where:
Base-Base interactions energy: -238.766
where: short stacking energy: -134.536
Base-Backbone interact. energy: -1.684
local terms energy: -326.474084
where:
bonds (distance) C4'-P energy: -101.699
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -79.103
flat angles P-C4'-P energy: -55.518
tors. eta vs tors. theta energy: 16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2100.412324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.412324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.412324 (E_RNA)
where:
Base-Base interactions energy: -1450.334
where: short stacking energy: -580.952
Base-Backbone interact. energy: -0.011
local terms energy: -650.067618
where:
bonds (distance) C4'-P energy: -120.407
bonds (distance) P-C4' energy: -116.640
flat angles C4'-P-C4' energy: -148.454
flat angles P-C4'-P energy: -91.777
tors. eta vs tors. theta energy: -172.790
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: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2059.643066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.643066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.643066 (E_RNA)
where:
Base-Base interactions energy: -1431.028
where: short stacking energy: -584.295
Base-Backbone interact. energy: -2.932
local terms energy: -625.682693
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -110.551
flat angles C4'-P-C4' energy: -132.890
flat angles P-C4'-P energy: -99.380
tors. eta vs tors. theta energy: -175.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1906.291721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.291721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.291721 (E_RNA)
where:
Base-Base interactions energy: -1298.940
where: short stacking energy: -536.870
Base-Backbone interact. energy: -2.251
local terms energy: -605.100563
where:
bonds (distance) C4'-P energy: -122.400
bonds (distance) P-C4' energy: -118.651
flat angles C4'-P-C4' energy: -122.051
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -156.932
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1779.533139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.533139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.533139 (E_RNA)
where:
Base-Base interactions energy: -1201.754
where: short stacking energy: -508.330
Base-Backbone interact. energy: -2.409
local terms energy: -575.370687
where:
bonds (distance) C4'-P energy: -113.207
bonds (distance) P-C4' energy: -109.192
flat angles C4'-P-C4' energy: -131.249
flat angles P-C4'-P energy: -86.819
tors. eta vs tors. theta energy: -134.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1552.332094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.332094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.332094 (E_RNA)
where:
Base-Base interactions energy: -972.431
where: short stacking energy: -450.174
Base-Backbone interact. energy: -2.222
local terms energy: -577.679166
where:
bonds (distance) C4'-P energy: -113.297
bonds (distance) P-C4' energy: -125.049
flat angles C4'-P-C4' energy: -122.581
flat angles P-C4'-P energy: -76.095
tors. eta vs tors. theta energy: -140.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1579.316564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.316564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.316564 (E_RNA)
where:
Base-Base interactions energy: -1033.274
where: short stacking energy: -472.753
Base-Backbone interact. energy: -1.945
local terms energy: -544.097615
where:
bonds (distance) C4'-P energy: -112.652
bonds (distance) P-C4' energy: -103.983
flat angles C4'-P-C4' energy: -115.925
flat angles P-C4'-P energy: -79.489
tors. eta vs tors. theta energy: -132.048
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: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1178.388130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.388130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.388130 (E_RNA)
where:
Base-Base interactions energy: -736.676
where: short stacking energy: -347.938
Base-Backbone interact. energy: -3.422
local terms energy: -438.290818
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -116.851
flat angles C4'-P-C4' energy: -82.708
flat angles P-C4'-P energy: -67.429
tors. eta vs tors. theta energy: -77.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -834.217504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.217504 (E_RNA)
where:
Base-Base interactions energy: -447.555
where: short stacking energy: -238.465
Base-Backbone interact. energy: -1.111
local terms energy: -385.551326
where:
bonds (distance) C4'-P energy: -89.065
bonds (distance) P-C4' energy: -112.053
flat angles C4'-P-C4' energy: -104.506
flat angles P-C4'-P energy: -68.213
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -671.151823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.151823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.151823 (E_RNA)
where:
Base-Base interactions energy: -319.017
where: short stacking energy: -174.638
Base-Backbone interact. energy: 2.326
local terms energy: -354.460630
where:
bonds (distance) C4'-P energy: -109.273
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -83.302
flat angles P-C4'-P energy: -49.759
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -494.335204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.335204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.335204 (E_RNA)
where:
Base-Base interactions energy: -199.366
where: short stacking energy: -144.701
Base-Backbone interact. energy: -3.606
local terms energy: -291.362690
where:
bonds (distance) C4'-P energy: -96.595
bonds (distance) P-C4' energy: -93.280
flat angles C4'-P-C4' energy: -80.930
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: 9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2138.769746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.769746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.769746 (E_RNA)
where:
Base-Base interactions energy: -1495.185
where: short stacking energy: -601.599
Base-Backbone interact. energy: -3.860
local terms energy: -639.724756
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -121.735
flat angles C4'-P-C4' energy: -125.682
flat angles P-C4'-P energy: -94.100
tors. eta vs tors. theta energy: -182.164
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: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2059.803394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.803394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.803394 (E_RNA)
where:
Base-Base interactions energy: -1419.292
where: short stacking energy: -593.182
Base-Backbone interact. energy: -2.585
local terms energy: -637.927185
where:
bonds (distance) C4'-P energy: -124.729
bonds (distance) P-C4' energy: -127.894
flat angles C4'-P-C4' energy: -129.600
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -174.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1896.839075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.839075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.839075 (E_RNA)
where:
Base-Base interactions energy: -1274.600
where: short stacking energy: -563.960
Base-Backbone interact. energy: -0.612
local terms energy: -621.627197
where:
bonds (distance) C4'-P energy: -116.529
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -124.499
flat angles P-C4'-P energy: -89.240
tors. eta vs tors. theta energy: -177.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1785.227278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.227278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.227278 (E_RNA)
where:
Base-Base interactions energy: -1203.039
where: short stacking energy: -485.196
Base-Backbone interact. energy: -1.792
local terms energy: -580.395531
where:
bonds (distance) C4'-P energy: -107.657
bonds (distance) P-C4' energy: -114.761
flat angles C4'-P-C4' energy: -120.031
flat angles P-C4'-P energy: -83.894
tors. eta vs tors. theta energy: -154.051
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: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1569.472134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.472134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.472134 (E_RNA)
where:
Base-Base interactions energy: -1023.567
where: short stacking energy: -455.957
Base-Backbone interact. energy: -1.638
local terms energy: -544.267349
where:
bonds (distance) C4'-P energy: -101.411
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -119.655
flat angles P-C4'-P energy: -92.301
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: 261
Temperature: 1.150000
Total energy: -1576.057796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.057796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.057796 (E_RNA)
where:
Base-Base interactions energy: -1066.471
where: short stacking energy: -450.578
Base-Backbone interact. energy: -1.863
local terms energy: -507.723807
where:
bonds (distance) C4'-P energy: -96.303
bonds (distance) P-C4' energy: -102.683
flat angles C4'-P-C4' energy: -123.333
flat angles P-C4'-P energy: -66.024
tors. eta vs tors. theta energy: -119.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1178.312093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.312093 (E_RNA)
where:
Base-Base interactions energy: -710.576
where: short stacking energy: -322.197
Base-Backbone interact. energy: -5.372
local terms energy: -462.363696
where:
bonds (distance) C4'-P energy: -95.637
bonds (distance) P-C4' energy: -116.006
flat angles C4'-P-C4' energy: -101.679
flat angles P-C4'-P energy: -80.658
tors. eta vs tors. theta energy: -68.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -895.435796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.435796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.435796 (E_RNA)
where:
Base-Base interactions energy: -521.127
where: short stacking energy: -259.852
Base-Backbone interact. energy: -2.051
local terms energy: -372.257635
where:
bonds (distance) C4'-P energy: -85.797
bonds (distance) P-C4' energy: -110.806
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -34.890
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -615.031793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.031793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.031793 (E_RNA)
where:
Base-Base interactions energy: -283.763
where: short stacking energy: -163.940
Base-Backbone interact. energy: 3.881
local terms energy: -335.150081
where:
bonds (distance) C4'-P energy: -87.961
bonds (distance) P-C4' energy: -94.774
flat angles C4'-P-C4' energy: -104.872
flat angles P-C4'-P energy: -50.277
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: 261
Temperature: 1.350000
Total energy: -472.124379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.124379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.124379 (E_RNA)
where:
Base-Base interactions energy: -167.489
where: short stacking energy: -130.410
Base-Backbone interact. energy: 2.083
local terms energy: -306.719078
where:
bonds (distance) C4'-P energy: -112.481
bonds (distance) P-C4' energy: -94.217
flat angles C4'-P-C4' energy: -81.757
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: 32.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2148.640143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.640143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.640143 (E_RNA)
where:
Base-Base interactions energy: -1504.773
where: short stacking energy: -579.571
Base-Backbone interact. energy: -5.036
local terms energy: -638.831511
where:
bonds (distance) C4'-P energy: -116.733
bonds (distance) P-C4' energy: -122.079
flat angles C4'-P-C4' energy: -142.419
flat angles P-C4'-P energy: -88.198
tors. eta vs tors. theta energy: -169.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2062.917038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.917038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.917038 (E_RNA)
where:
Base-Base interactions energy: -1395.079
where: short stacking energy: -586.241
Base-Backbone interact. energy: -3.371
local terms energy: -664.467651
where:
bonds (distance) C4'-P energy: -130.462
bonds (distance) P-C4' energy: -119.701
flat angles C4'-P-C4' energy: -135.232
flat angles P-C4'-P energy: -99.384
tors. eta vs tors. theta energy: -179.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1912.364068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.364068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.364068 (E_RNA)
where:
Base-Base interactions energy: -1283.998
where: short stacking energy: -551.771
Base-Backbone interact. energy: -0.764
local terms energy: -627.602275
where:
bonds (distance) C4'-P energy: -121.413
bonds (distance) P-C4' energy: -124.848
flat angles C4'-P-C4' energy: -136.501
flat angles P-C4'-P energy: -88.477
tors. eta vs tors. theta energy: -156.363
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: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1820.710955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.710955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.710955 (E_RNA)
where:
Base-Base interactions energy: -1213.922
where: short stacking energy: -498.030
Base-Backbone interact. energy: -1.795
local terms energy: -604.994201
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -114.216
flat angles C4'-P-C4' energy: -133.991
flat angles P-C4'-P energy: -87.459
tors. eta vs tors. theta energy: -154.732
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1617.162796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.162796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.162796 (E_RNA)
where:
Base-Base interactions energy: -1096.324
where: short stacking energy: -470.365
Base-Backbone interact. energy: -1.612
local terms energy: -519.226769
where:
bonds (distance) C4'-P energy: -97.190
bonds (distance) P-C4' energy: -105.030
flat angles C4'-P-C4' energy: -113.104
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -135.034
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1503.345316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.345316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.345316 (E_RNA)
where:
Base-Base interactions energy: -970.648
where: short stacking energy: -452.557
Base-Backbone interact. energy: -1.230
local terms energy: -531.467126
where:
bonds (distance) C4'-P energy: -101.655
bonds (distance) P-C4' energy: -109.589
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -73.211
tors. eta vs tors. theta energy: -121.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1084.300374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.300374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.300374 (E_RNA)
where:
Base-Base interactions energy: -666.395
where: short stacking energy: -298.016
Base-Backbone interact. energy: -0.042
local terms energy: -417.863302
where:
bonds (distance) C4'-P energy: -100.248
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -98.453
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -57.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -924.835120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.835120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.835120 (E_RNA)
where:
Base-Base interactions energy: -541.975
where: short stacking energy: -256.005
Base-Backbone interact. energy: -4.788
local terms energy: -378.072376
where:
bonds (distance) C4'-P energy: -86.857
bonds (distance) P-C4' energy: -110.372
flat angles C4'-P-C4' energy: -106.687
flat angles P-C4'-P energy: -47.958
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -643.170150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.170150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.170150 (E_RNA)
where:
Base-Base interactions energy: -326.195
where: short stacking energy: -186.182
Base-Backbone interact. energy: -1.438
local terms energy: -315.536891
where:
bonds (distance) C4'-P energy: -104.560
bonds (distance) P-C4' energy: -102.189
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -493.039487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.039487 (E_RNA)
where:
Base-Base interactions energy: -196.818
where: short stacking energy: -124.537
Base-Backbone interact. energy: 1.791
local terms energy: -298.012074
where:
bonds (distance) C4'-P energy: -92.515
bonds (distance) P-C4' energy: -98.523
flat angles C4'-P-C4' energy: -82.681
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: 31.937
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2135.133218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.133218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.133218 (E_RNA)
where:
Base-Base interactions energy: -1508.172
where: short stacking energy: -576.806
Base-Backbone interact. energy: -2.957
local terms energy: -624.003369
where:
bonds (distance) C4'-P energy: -124.383
bonds (distance) P-C4' energy: -109.393
flat angles C4'-P-C4' energy: -139.990
flat angles P-C4'-P energy: -86.980
tors. eta vs tors. theta energy: -163.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2058.549644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.549644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.549644 (E_RNA)
where:
Base-Base interactions energy: -1416.451
where: short stacking energy: -589.781
Base-Backbone interact. energy: -3.902
local terms energy: -638.196846
where:
bonds (distance) C4'-P energy: -113.034
bonds (distance) P-C4' energy: -117.126
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -87.862
tors. eta vs tors. theta energy: -178.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1888.099271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.099271 (E_RNA)
where:
Base-Base interactions energy: -1270.791
where: short stacking energy: -541.150
Base-Backbone interact. energy: -1.009
local terms energy: -616.298460
where:
bonds (distance) C4'-P energy: -118.748
bonds (distance) P-C4' energy: -117.149
flat angles C4'-P-C4' energy: -130.920
flat angles P-C4'-P energy: -82.198
tors. eta vs tors. theta energy: -167.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1800.834975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.834975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.834975 (E_RNA)
where:
Base-Base interactions energy: -1233.473
where: short stacking energy: -500.413
Base-Backbone interact. energy: -0.673
local terms energy: -566.688990
where:
bonds (distance) C4'-P energy: -93.375
bonds (distance) P-C4' energy: -113.145
flat angles C4'-P-C4' energy: -128.357
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -142.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1644.248950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.248950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.248950 (E_RNA)
where:
Base-Base interactions energy: -1095.076
where: short stacking energy: -499.556
Base-Backbone interact. energy: 0.106
local terms energy: -549.278173
where:
bonds (distance) C4'-P energy: -109.820
bonds (distance) P-C4' energy: -91.451
flat angles C4'-P-C4' energy: -123.275
flat angles P-C4'-P energy: -86.141
tors. eta vs tors. theta energy: -138.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1519.868883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.868883 (E_RNA)
where:
Base-Base interactions energy: -991.991
where: short stacking energy: -442.165
Base-Backbone interact. energy: 2.053
local terms energy: -529.930443
where:
bonds (distance) C4'-P energy: -98.031
bonds (distance) P-C4' energy: -105.032
flat angles C4'-P-C4' energy: -119.956
flat angles P-C4'-P energy: -77.659
tors. eta vs tors. theta energy: -129.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1100.894777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.894777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.894777 (E_RNA)
where:
Base-Base interactions energy: -680.213
where: short stacking energy: -320.287
Base-Backbone interact. energy: -2.606
local terms energy: -418.075904
where:
bonds (distance) C4'-P energy: -101.153
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -101.986
flat angles P-C4'-P energy: -68.079
tors. eta vs tors. theta energy: -54.871
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -873.571762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.571762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.571762 (E_RNA)
where:
Base-Base interactions energy: -489.847
where: short stacking energy: -250.860
Base-Backbone interact. energy: -2.367
local terms energy: -381.358346
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -111.344
flat angles C4'-P-C4' energy: -97.952
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -29.641
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: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -592.550559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.550559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.550559 (E_RNA)
where:
Base-Base interactions energy: -227.525
where: short stacking energy: -149.284
Base-Backbone interact. energy: -0.874
local terms energy: -364.151028
where:
bonds (distance) C4'-P energy: -87.947
bonds (distance) P-C4' energy: -118.101
flat angles C4'-P-C4' energy: -99.064
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -476.157586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.157586 (E_RNA)
where:
Base-Base interactions energy: -167.293
where: short stacking energy: -145.903
Base-Backbone interact. energy: 1.260
local terms energy: -310.124660
where:
bonds (distance) C4'-P energy: -106.839
bonds (distance) P-C4' energy: -100.753
flat angles C4'-P-C4' energy: -74.910
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: 19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2153.448755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.448755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.448755 (E_RNA)
where:
Base-Base interactions energy: -1507.532
where: short stacking energy: -598.210
Base-Backbone interact. energy: -1.325
local terms energy: -644.591784
where:
bonds (distance) C4'-P energy: -126.418
bonds (distance) P-C4' energy: -118.187
flat angles C4'-P-C4' energy: -139.395
flat angles P-C4'-P energy: -87.554
tors. eta vs tors. theta energy: -173.038
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: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2063.794229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.794229 (E_RNA)
where:
Base-Base interactions energy: -1424.797
where: short stacking energy: -589.919
Base-Backbone interact. energy: -3.410
local terms energy: -635.586960
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -108.782
flat angles C4'-P-C4' energy: -133.379
flat angles P-C4'-P energy: -94.297
tors. eta vs tors. theta energy: -181.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1895.265610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.265610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.265610 (E_RNA)
where:
Base-Base interactions energy: -1293.690
where: short stacking energy: -547.226
Base-Backbone interact. energy: -1.691
local terms energy: -599.885158
where:
bonds (distance) C4'-P energy: -115.759
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -126.863
flat angles P-C4'-P energy: -84.396
tors. eta vs tors. theta energy: -160.136
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: 264
Temperature: 1.050000
Total energy: -1863.492163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.492163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.492163 (E_RNA)
where:
Base-Base interactions energy: -1285.841
where: short stacking energy: -539.590
Base-Backbone interact. energy: 0.407
local terms energy: -578.057571
where:
bonds (distance) C4'-P energy: -96.541
bonds (distance) P-C4' energy: -108.173
flat angles C4'-P-C4' energy: -124.925
flat angles P-C4'-P energy: -89.060
tors. eta vs tors. theta energy: -159.358
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1628.164987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.164987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.164987 (E_RNA)
where:
Base-Base interactions energy: -1089.577
where: short stacking energy: -488.869
Base-Backbone interact. energy: 2.788
local terms energy: -541.376093
where:
bonds (distance) C4'-P energy: -101.344
bonds (distance) P-C4' energy: -107.912
flat angles C4'-P-C4' energy: -125.072
flat angles P-C4'-P energy: -59.323
tors. eta vs tors. theta energy: -147.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1506.473583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.473583 (E_RNA)
where:
Base-Base interactions energy: -965.597
where: short stacking energy: -441.297
Base-Backbone interact. energy: -2.899
local terms energy: -537.977460
where:
bonds (distance) C4'-P energy: -104.022
bonds (distance) P-C4' energy: -114.993
flat angles C4'-P-C4' energy: -124.800
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -124.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1168.697286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.697286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.697286 (E_RNA)
where:
Base-Base interactions energy: -728.008
where: short stacking energy: -338.681
Base-Backbone interact. energy: -0.539
local terms energy: -440.150615
where:
bonds (distance) C4'-P energy: -111.891
bonds (distance) P-C4' energy: -103.730
flat angles C4'-P-C4' energy: -109.060
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -71.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -898.088630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.088630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.088630 (E_RNA)
where:
Base-Base interactions energy: -523.862
where: short stacking energy: -256.257
Base-Backbone interact. energy: -1.082
local terms energy: -373.143927
where:
bonds (distance) C4'-P energy: -87.680
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -74.623
flat angles P-C4'-P energy: -75.785
tors. eta vs tors. theta energy: -25.342
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: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -611.138646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.138646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.138646 (E_RNA)
where:
Base-Base interactions energy: -254.924
where: short stacking energy: -152.445
Base-Backbone interact. energy: -2.999
local terms energy: -353.215478
where:
bonds (distance) C4'-P energy: -108.236
bonds (distance) P-C4' energy: -110.059
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -57.643
tors. eta vs tors. theta energy: 11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -490.632571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.632571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.632571 (E_RNA)
where:
Base-Base interactions energy: -171.090
where: short stacking energy: -134.879
Base-Backbone interact. energy: -0.343
local terms energy: -319.198754
where:
bonds (distance) C4'-P energy: -103.160
bonds (distance) P-C4' energy: -89.977
flat angles C4'-P-C4' energy: -82.764
flat angles P-C4'-P energy: -59.949
tors. eta vs tors. theta energy: 16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2159.636093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.636093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.636093 (E_RNA)
where:
Base-Base interactions energy: -1510.737
where: short stacking energy: -598.415
Base-Backbone interact. energy: -1.226
local terms energy: -647.673839
where:
bonds (distance) C4'-P energy: -122.250
bonds (distance) P-C4' energy: -118.325
flat angles C4'-P-C4' energy: -140.771
flat angles P-C4'-P energy: -92.350
tors. eta vs tors. theta energy: -173.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2084.046288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.046288 (E_RNA)
where:
Base-Base interactions energy: -1423.633
where: short stacking energy: -588.205
Base-Backbone interact. energy: -3.738
local terms energy: -656.675571
where:
bonds (distance) C4'-P energy: -124.508
bonds (distance) P-C4' energy: -122.220
flat angles C4'-P-C4' energy: -138.811
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -174.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1922.057436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.057436 (E_RNA)
where:
Base-Base interactions energy: -1337.160
where: short stacking energy: -555.716
Base-Backbone interact. energy: -2.619
local terms energy: -582.278448
where:
bonds (distance) C4'-P energy: -104.162
bonds (distance) P-C4' energy: -112.040
flat angles C4'-P-C4' energy: -122.983
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -172.877
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: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1831.389357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.389357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.389357 (E_RNA)
where:
Base-Base interactions energy: -1219.462
where: short stacking energy: -511.878
Base-Backbone interact. energy: -2.714
local terms energy: -609.213625
where:
bonds (distance) C4'-P energy: -117.978
bonds (distance) P-C4' energy: -124.291
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -77.343
tors. eta vs tors. theta energy: -159.543
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: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1670.122602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.122602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.122602 (E_RNA)
where:
Base-Base interactions energy: -1124.563
where: short stacking energy: -503.395
Base-Backbone interact. energy: -0.140
local terms energy: -545.418660
where:
bonds (distance) C4'-P energy: -85.341
bonds (distance) P-C4' energy: -128.894
flat angles C4'-P-C4' energy: -115.986
flat angles P-C4'-P energy: -77.921
tors. eta vs tors. theta energy: -137.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1474.174922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.174922 (E_RNA)
where:
Base-Base interactions energy: -991.041
where: short stacking energy: -444.366
Base-Backbone interact. energy: -1.994
local terms energy: -481.139388
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -104.403
flat angles P-C4'-P energy: -79.648
tors. eta vs tors. theta energy: -117.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1177.991538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.991538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.991538 (E_RNA)
where:
Base-Base interactions energy: -733.037
where: short stacking energy: -350.997
Base-Backbone interact. energy: -0.343
local terms energy: -444.611610
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -107.195
flat angles P-C4'-P energy: -55.088
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: 265
Temperature: 1.250000
Total energy: -922.269880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.269880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.269880 (E_RNA)
where:
Base-Base interactions energy: -530.847
where: short stacking energy: -264.975
Base-Backbone interact. energy: -2.347
local terms energy: -389.075253
where:
bonds (distance) C4'-P energy: -93.206
bonds (distance) P-C4' energy: -97.364
flat angles C4'-P-C4' energy: -92.703
flat angles P-C4'-P energy: -70.653
tors. eta vs tors. theta energy: -35.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -620.208290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.208290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.208290 (E_RNA)
where:
Base-Base interactions energy: -275.727
where: short stacking energy: -178.058
Base-Backbone interact. energy: 5.522
local terms energy: -350.002695
where:
bonds (distance) C4'-P energy: -78.424
bonds (distance) P-C4' energy: -112.808
flat angles C4'-P-C4' energy: -97.273
flat angles P-C4'-P energy: -66.368
tors. eta vs tors. theta energy: 4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -489.406577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.406577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.406577 (E_RNA)
where:
Base-Base interactions energy: -178.705
where: short stacking energy: -121.284
Base-Backbone interact. energy: -1.794
local terms energy: -308.907607
where:
bonds (distance) C4'-P energy: -95.187
bonds (distance) P-C4' energy: -105.419
flat angles C4'-P-C4' energy: -78.433
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: 23.960
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: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2109.275798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.275798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.275798 (E_RNA)
where:
Base-Base interactions energy: -1453.563
where: short stacking energy: -580.321
Base-Backbone interact. energy: -4.097
local terms energy: -651.616033
where:
bonds (distance) C4'-P energy: -121.758
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -143.208
flat angles P-C4'-P energy: -103.034
tors. eta vs tors. theta energy: -175.418
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2098.919150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.919150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.919150 (E_RNA)
where:
Base-Base interactions energy: -1457.760
where: short stacking energy: -575.560
Base-Backbone interact. energy: -3.926
local terms energy: -637.233855
where:
bonds (distance) C4'-P energy: -128.467
bonds (distance) P-C4' energy: -125.013
flat angles C4'-P-C4' energy: -136.058
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: -161.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1923.146118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.146118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.146118 (E_RNA)
where:
Base-Base interactions energy: -1313.180
where: short stacking energy: -557.332
Base-Backbone interact. energy: 0.229
local terms energy: -610.194929
where:
bonds (distance) C4'-P energy: -125.045
bonds (distance) P-C4' energy: -109.828
flat angles C4'-P-C4' energy: -123.071
flat angles P-C4'-P energy: -84.309
tors. eta vs tors. theta energy: -167.941
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: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1770.700525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.700525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.700525 (E_RNA)
where:
Base-Base interactions energy: -1211.419
where: short stacking energy: -486.678
Base-Backbone interact. energy: 1.536
local terms energy: -560.817348
where:
bonds (distance) C4'-P energy: -106.740
bonds (distance) P-C4' energy: -117.522
flat angles C4'-P-C4' energy: -125.620
flat angles P-C4'-P energy: -59.406
tors. eta vs tors. theta energy: -151.530
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: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1616.449611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.449611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.449611 (E_RNA)
where:
Base-Base interactions energy: -1057.079
where: short stacking energy: -482.579
Base-Backbone interact. energy: 1.357
local terms energy: -560.727739
where:
bonds (distance) C4'-P energy: -122.210
bonds (distance) P-C4' energy: -106.992
flat angles C4'-P-C4' energy: -120.890
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -138.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1558.523852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.523852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.523852 (E_RNA)
where:
Base-Base interactions energy: -1056.112
where: short stacking energy: -420.622
Base-Backbone interact. energy: -2.718
local terms energy: -499.693663
where:
bonds (distance) C4'-P energy: -106.287
bonds (distance) P-C4' energy: -106.015
flat angles C4'-P-C4' energy: -121.091
flat angles P-C4'-P energy: -59.594
tors. eta vs tors. theta energy: -106.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1135.454635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.454635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.454635 (E_RNA)
where:
Base-Base interactions energy: -672.907
where: short stacking energy: -314.924
Base-Backbone interact. energy: -0.921
local terms energy: -461.626360
where:
bonds (distance) C4'-P energy: -116.049
bonds (distance) P-C4' energy: -98.810
flat angles C4'-P-C4' energy: -111.235
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -74.740
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -899.617739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.617739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.617739 (E_RNA)
where:
Base-Base interactions energy: -485.061
where: short stacking energy: -237.201
Base-Backbone interact. energy: 3.453
local terms energy: -418.010002
where:
bonds (distance) C4'-P energy: -87.281
bonds (distance) P-C4' energy: -117.780
flat angles C4'-P-C4' energy: -99.434
flat angles P-C4'-P energy: -79.258
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -581.724984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.724984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.724984 (E_RNA)
where:
Base-Base interactions energy: -265.948
where: short stacking energy: -147.594
Base-Backbone interact. energy: -0.378
local terms energy: -315.399067
where:
bonds (distance) C4'-P energy: -87.473
bonds (distance) P-C4' energy: -109.304
flat angles C4'-P-C4' energy: -96.888
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: 14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -506.838671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.838671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.838671 (E_RNA)
where:
Base-Base interactions energy: -210.610
where: short stacking energy: -141.375
Base-Backbone interact. energy: -1.811
local terms energy: -294.418205
where:
bonds (distance) C4'-P energy: -97.875
bonds (distance) P-C4' energy: -91.264
flat angles C4'-P-C4' energy: -92.334
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: 23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2113.624646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.624646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.624646 (E_RNA)
where:
Base-Base interactions energy: -1446.093
where: short stacking energy: -592.062
Base-Backbone interact. energy: -1.361
local terms energy: -666.170703
where:
bonds (distance) C4'-P energy: -118.183
bonds (distance) P-C4' energy: -121.479
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -92.188
tors. eta vs tors. theta energy: -183.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2082.126754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.126754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.126754 (E_RNA)
where:
Base-Base interactions energy: -1463.226
where: short stacking energy: -571.264
Base-Backbone interact. energy: -3.734
local terms energy: -615.166058
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -123.059
flat angles C4'-P-C4' energy: -133.839
flat angles P-C4'-P energy: -88.065
tors. eta vs tors. theta energy: -159.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1920.776713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.776713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.776713 (E_RNA)
where:
Base-Base interactions energy: -1280.265
where: short stacking energy: -564.151
Base-Backbone interact. energy: -1.213
local terms energy: -639.298710
where:
bonds (distance) C4'-P energy: -113.957
bonds (distance) P-C4' energy: -118.146
flat angles C4'-P-C4' energy: -138.919
flat angles P-C4'-P energy: -101.433
tors. eta vs tors. theta energy: -166.844
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1778.537775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.537775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.537775 (E_RNA)
where:
Base-Base interactions energy: -1174.978
where: short stacking energy: -472.210
Base-Backbone interact. energy: 3.228
local terms energy: -606.787807
where:
bonds (distance) C4'-P energy: -121.736
bonds (distance) P-C4' energy: -123.301
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -90.138
tors. eta vs tors. theta energy: -144.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1602.190995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.190995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.190995 (E_RNA)
where:
Base-Base interactions energy: -1037.323
where: short stacking energy: -463.254
Base-Backbone interact. energy: -0.694
local terms energy: -564.173734
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -115.069
flat angles C4'-P-C4' energy: -116.467
flat angles P-C4'-P energy: -90.514
tors. eta vs tors. theta energy: -131.031
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: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1623.896653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.896653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.896653 (E_RNA)
where:
Base-Base interactions energy: -1081.177
where: short stacking energy: -460.245
Base-Backbone interact. energy: -0.519
local terms energy: -542.200430
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -101.485
flat angles C4'-P-C4' energy: -119.244
flat angles P-C4'-P energy: -73.174
tors. eta vs tors. theta energy: -151.631
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: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1073.176120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.176120 (E_RNA)
where:
Base-Base interactions energy: -636.365
where: short stacking energy: -293.141
Base-Backbone interact. energy: -3.708
local terms energy: -433.103185
where:
bonds (distance) C4'-P energy: -86.867
bonds (distance) P-C4' energy: -106.458
flat angles C4'-P-C4' energy: -119.682
flat angles P-C4'-P energy: -66.106
tors. eta vs tors. theta energy: -53.991
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: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -866.747035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.747035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.747035 (E_RNA)
where:
Base-Base interactions energy: -500.354
where: short stacking energy: -238.268
Base-Backbone interact. energy: 1.891
local terms energy: -368.284556
where:
bonds (distance) C4'-P energy: -104.274
bonds (distance) P-C4' energy: -106.043
flat angles C4'-P-C4' energy: -91.813
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -597.343902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.343902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.343902 (E_RNA)
where:
Base-Base interactions energy: -268.078
where: short stacking energy: -152.225
Base-Backbone interact. energy: -2.037
local terms energy: -327.228889
where:
bonds (distance) C4'-P energy: -98.349
bonds (distance) P-C4' energy: -100.404
flat angles C4'-P-C4' energy: -90.378
flat angles P-C4'-P energy: -45.154
tors. eta vs tors. theta energy: 7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -496.362048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.362048 (E_RNA)
where:
Base-Base interactions energy: -202.172
where: short stacking energy: -150.167
Base-Backbone interact. energy: 10.924
local terms energy: -305.113961
where:
bonds (distance) C4'-P energy: -76.483
bonds (distance) P-C4' energy: -86.867
flat angles C4'-P-C4' energy: -97.395
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: 8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2091.896265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.896265 (E_RNA)
where:
Base-Base interactions energy: -1427.360
where: short stacking energy: -585.619
Base-Backbone interact. energy: -3.498
local terms energy: -661.038480
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -118.425
flat angles C4'-P-C4' energy: -142.680
flat angles P-C4'-P energy: -88.107
tors. eta vs tors. theta energy: -179.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2073.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.111757 (E_RNA)
where:
Base-Base interactions energy: -1442.172
where: short stacking energy: -588.503
Base-Backbone interact. energy: 0.597
local terms energy: -631.536792
where:
bonds (distance) C4'-P energy: -111.385
bonds (distance) P-C4' energy: -121.845
flat angles C4'-P-C4' energy: -129.936
flat angles P-C4'-P energy: -90.095
tors. eta vs tors. theta energy: -178.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1897.752229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.752229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.752229 (E_RNA)
where:
Base-Base interactions energy: -1286.029
where: short stacking energy: -551.398
Base-Backbone interact. energy: 0.987
local terms energy: -612.710648
where:
bonds (distance) C4'-P energy: -114.785
bonds (distance) P-C4' energy: -110.696
flat angles C4'-P-C4' energy: -135.573
flat angles P-C4'-P energy: -85.362
tors. eta vs tors. theta energy: -166.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1851.101836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.101836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.101836 (E_RNA)
where:
Base-Base interactions energy: -1279.675
where: short stacking energy: -530.114
Base-Backbone interact. energy: -0.900
local terms energy: -570.526397
where:
bonds (distance) C4'-P energy: -101.688
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -137.210
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: -163.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1635.568381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.568381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.568381 (E_RNA)
where:
Base-Base interactions energy: -1066.019
where: short stacking energy: -464.531
Base-Backbone interact. energy: -2.193
local terms energy: -567.356853
where:
bonds (distance) C4'-P energy: -95.613
bonds (distance) P-C4' energy: -121.892
flat angles C4'-P-C4' energy: -130.022
flat angles P-C4'-P energy: -83.053
tors. eta vs tors. theta energy: -136.776
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: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1577.466416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.466416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.466416 (E_RNA)
where:
Base-Base interactions energy: -1037.618
where: short stacking energy: -438.520
Base-Backbone interact. energy: -1.916
local terms energy: -537.932241
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -111.550
flat angles C4'-P-C4' energy: -111.303
flat angles P-C4'-P energy: -71.358
tors. eta vs tors. theta energy: -125.876
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: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1093.905634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.905634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.905634 (E_RNA)
where:
Base-Base interactions energy: -645.898
where: short stacking energy: -332.498
Base-Backbone interact. energy: 0.128
local terms energy: -448.134704
where:
bonds (distance) C4'-P energy: -106.981
bonds (distance) P-C4' energy: -113.280
flat angles C4'-P-C4' energy: -107.825
flat angles P-C4'-P energy: -55.033
tors. eta vs tors. theta energy: -65.016
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: 268
Temperature: 1.250000
Total energy: -878.755322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.755322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.755322 (E_RNA)
where:
Base-Base interactions energy: -485.505
where: short stacking energy: -233.981
Base-Backbone interact. energy: -1.715
local terms energy: -391.534660
where:
bonds (distance) C4'-P energy: -113.311
bonds (distance) P-C4' energy: -102.087
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -26.671
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -610.630898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.630898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.630898 (E_RNA)
where:
Base-Base interactions energy: -277.852
where: short stacking energy: -157.659
Base-Backbone interact. energy: 0.795
local terms energy: -333.573478
where:
bonds (distance) C4'-P energy: -95.931
bonds (distance) P-C4' energy: -96.814
flat angles C4'-P-C4' energy: -104.593
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -472.633194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.633194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.633194 (E_RNA)
where:
Base-Base interactions energy: -160.850
where: short stacking energy: -133.285
Base-Backbone interact. energy: 1.863
local terms energy: -313.645954
where:
bonds (distance) C4'-P energy: -92.130
bonds (distance) P-C4' energy: -98.857
flat angles C4'-P-C4' energy: -85.420
flat angles P-C4'-P energy: -65.242
tors. eta vs tors. theta energy: 28.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2093.843749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.843749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.843749 (E_RNA)
where:
Base-Base interactions energy: -1449.914
where: short stacking energy: -607.270
Base-Backbone interact. energy: -3.971
local terms energy: -639.958750
where:
bonds (distance) C4'-P energy: -103.834
bonds (distance) P-C4' energy: -118.658
flat angles C4'-P-C4' energy: -142.917
flat angles P-C4'-P energy: -95.540
tors. eta vs tors. theta energy: -179.009
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: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2062.489962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.489962 (E_RNA)
where:
Base-Base interactions energy: -1415.746
where: short stacking energy: -575.574
Base-Backbone interact. energy: 0.499
local terms energy: -647.243151
where:
bonds (distance) C4'-P energy: -120.406
bonds (distance) P-C4' energy: -119.963
flat angles C4'-P-C4' energy: -141.410
flat angles P-C4'-P energy: -94.689
tors. eta vs tors. theta energy: -170.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1949.428733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.428733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.428733 (E_RNA)
where:
Base-Base interactions energy: -1303.811
where: short stacking energy: -520.228
Base-Backbone interact. energy: -2.664
local terms energy: -642.953549
where:
bonds (distance) C4'-P energy: -120.731
bonds (distance) P-C4' energy: -132.428
flat angles C4'-P-C4' energy: -136.077
flat angles P-C4'-P energy: -89.046
tors. eta vs tors. theta energy: -164.671
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: 269
Temperature: 1.050000
Total energy: -1806.624872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.624872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.624872 (E_RNA)
where:
Base-Base interactions energy: -1260.881
where: short stacking energy: -531.466
Base-Backbone interact. energy: -0.200
local terms energy: -545.543398
where:
bonds (distance) C4'-P energy: -100.788
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -124.510
flat angles P-C4'-P energy: -68.095
tors. eta vs tors. theta energy: -158.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1621.074843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.074843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.074843 (E_RNA)
where:
Base-Base interactions energy: -1057.505
where: short stacking energy: -503.290
Base-Backbone interact. energy: -2.746
local terms energy: -560.823322
where:
bonds (distance) C4'-P energy: -93.012
bonds (distance) P-C4' energy: -114.338
flat angles C4'-P-C4' energy: -114.488
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -157.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1572.708316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.708316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.708316 (E_RNA)
where:
Base-Base interactions energy: -1056.725
where: short stacking energy: -478.511
Base-Backbone interact. energy: 2.322
local terms energy: -518.305315
where:
bonds (distance) C4'-P energy: -106.696
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -112.288
flat angles P-C4'-P energy: -71.180
tors. eta vs tors. theta energy: -133.114
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1136.479351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.479351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.479351 (E_RNA)
where:
Base-Base interactions energy: -692.852
where: short stacking energy: -327.675
Base-Backbone interact. energy: -1.355
local terms energy: -442.271980
where:
bonds (distance) C4'-P energy: -94.928
bonds (distance) P-C4' energy: -103.440
flat angles C4'-P-C4' energy: -101.576
flat angles P-C4'-P energy: -68.223
tors. eta vs tors. theta energy: -74.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -955.913275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.913275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.913275 (E_RNA)
where:
Base-Base interactions energy: -571.527
where: short stacking energy: -283.922
Base-Backbone interact. energy: -1.468
local terms energy: -382.918463
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -104.588
flat angles C4'-P-C4' energy: -99.966
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -42.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -635.420262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.420262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.420262 (E_RNA)
where:
Base-Base interactions energy: -275.945
where: short stacking energy: -160.244
Base-Backbone interact. energy: 0.013
local terms energy: -359.487623
where:
bonds (distance) C4'-P energy: -104.702
bonds (distance) P-C4' energy: -113.988
flat angles C4'-P-C4' energy: -95.820
flat angles P-C4'-P energy: -53.573
tors. eta vs tors. theta energy: 8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -464.484419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.484419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.484419 (E_RNA)
where:
Base-Base interactions energy: -162.321
where: short stacking energy: -137.679
Base-Backbone interact. energy: 4.270
local terms energy: -306.433484
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -90.489
flat angles C4'-P-C4' energy: -70.965
flat angles P-C4'-P energy: -59.265
tors. eta vs tors. theta energy: 17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2110.828463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.828463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.828463 (E_RNA)
where:
Base-Base interactions energy: -1449.797
where: short stacking energy: -595.543
Base-Backbone interact. energy: -4.624
local terms energy: -656.407845
where:
bonds (distance) C4'-P energy: -114.585
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -140.305
flat angles P-C4'-P energy: -96.472
tors. eta vs tors. theta energy: -182.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2117.227373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.227373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.227373 (E_RNA)
where:
Base-Base interactions energy: -1468.683
where: short stacking energy: -586.103
Base-Backbone interact. energy: -3.584
local terms energy: -644.959971
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -125.829
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -183.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1961.747231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.747231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.747231 (E_RNA)
where:
Base-Base interactions energy: -1335.158
where: short stacking energy: -558.232
Base-Backbone interact. energy: -1.031
local terms energy: -625.558217
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -120.950
flat angles C4'-P-C4' energy: -135.925
flat angles P-C4'-P energy: -88.026
tors. eta vs tors. theta energy: -166.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1819.135867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.135867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.135867 (E_RNA)
where:
Base-Base interactions energy: -1243.210
where: short stacking energy: -506.038
Base-Backbone interact. energy: 0.114
local terms energy: -576.039971
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -123.339
flat angles P-C4'-P energy: -87.737
tors. eta vs tors. theta energy: -142.458
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1647.586048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.586048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.586048 (E_RNA)
where:
Base-Base interactions energy: -1085.969
where: short stacking energy: -495.291
Base-Backbone interact. energy: -0.446
local terms energy: -561.171009
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -100.868
flat angles C4'-P-C4' energy: -138.531
flat angles P-C4'-P energy: -79.465
tors. eta vs tors. theta energy: -146.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1551.010636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.010636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.010636 (E_RNA)
where:
Base-Base interactions energy: -1027.231
where: short stacking energy: -446.452
Base-Backbone interact. energy: -1.381
local terms energy: -522.398694
where:
bonds (distance) C4'-P energy: -88.192
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -132.854
flat angles P-C4'-P energy: -73.633
tors. eta vs tors. theta energy: -123.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -986.735709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.735709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.735709 (E_RNA)
where:
Base-Base interactions energy: -597.591
where: short stacking energy: -291.632
Base-Backbone interact. energy: -4.463
local terms energy: -384.682552
where:
bonds (distance) C4'-P energy: -92.226
bonds (distance) P-C4' energy: -94.310
flat angles C4'-P-C4' energy: -96.941
flat angles P-C4'-P energy: -58.165
tors. eta vs tors. theta energy: -43.040
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1070.698220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.698220 (E_RNA)
where:
Base-Base interactions energy: -653.925
where: short stacking energy: -308.047
Base-Backbone interact. energy: -0.551
local terms energy: -416.221647
where:
bonds (distance) C4'-P energy: -110.590
bonds (distance) P-C4' energy: -102.357
flat angles C4'-P-C4' energy: -78.581
flat angles P-C4'-P energy: -66.972
tors. eta vs tors. theta energy: -57.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -583.395931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.395931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.395931 (E_RNA)
where:
Base-Base interactions energy: -261.626
where: short stacking energy: -171.946
Base-Backbone interact. energy: -0.739
local terms energy: -321.030956
where:
bonds (distance) C4'-P energy: -102.716
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -97.679
flat angles P-C4'-P energy: -32.542
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -466.160778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.160778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.160778 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -122.769
Base-Backbone interact. energy: 5.290
local terms energy: -315.280233
where:
bonds (distance) C4'-P energy: -95.196
bonds (distance) P-C4' energy: -117.519
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: 15.822
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: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2101.710039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.710039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.710039 (E_RNA)
where:
Base-Base interactions energy: -1467.178
where: short stacking energy: -602.267
Base-Backbone interact. energy: -3.722
local terms energy: -630.809743
where:
bonds (distance) C4'-P energy: -116.201
bonds (distance) P-C4' energy: -116.300
flat angles C4'-P-C4' energy: -134.140
flat angles P-C4'-P energy: -93.852
tors. eta vs tors. theta energy: -170.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2085.130613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.130613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.130613 (E_RNA)
where:
Base-Base interactions energy: -1461.981
where: short stacking energy: -580.247
Base-Backbone interact. energy: 0.746
local terms energy: -623.895154
where:
bonds (distance) C4'-P energy: -120.547
bonds (distance) P-C4' energy: -105.298
flat angles C4'-P-C4' energy: -129.535
flat angles P-C4'-P energy: -92.097
tors. eta vs tors. theta energy: -176.417
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1958.557514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.557514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.557514 (E_RNA)
where:
Base-Base interactions energy: -1336.225
where: short stacking energy: -559.461
Base-Backbone interact. energy: -1.614
local terms energy: -620.718826
where:
bonds (distance) C4'-P energy: -121.774
bonds (distance) P-C4' energy: -114.008
flat angles C4'-P-C4' energy: -134.799
flat angles P-C4'-P energy: -83.220
tors. eta vs tors. theta energy: -166.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1877.099473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.099473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.099473 (E_RNA)
where:
Base-Base interactions energy: -1279.791
where: short stacking energy: -514.750
Base-Backbone interact. energy: 0.220
local terms energy: -597.528312
where:
bonds (distance) C4'-P energy: -124.449
bonds (distance) P-C4' energy: -108.148
flat angles C4'-P-C4' energy: -123.974
flat angles P-C4'-P energy: -80.018
tors. eta vs tors. theta energy: -160.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1616.255628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.255628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.255628 (E_RNA)
where:
Base-Base interactions energy: -1059.533
where: short stacking energy: -458.751
Base-Backbone interact. energy: 1.753
local terms energy: -558.475080
where:
bonds (distance) C4'-P energy: -100.708
bonds (distance) P-C4' energy: -118.766
flat angles C4'-P-C4' energy: -132.970
flat angles P-C4'-P energy: -74.053
tors. eta vs tors. theta energy: -131.978
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: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1535.709084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.709084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.709084 (E_RNA)
where:
Base-Base interactions energy: -994.617
where: short stacking energy: -440.742
Base-Backbone interact. energy: -1.097
local terms energy: -539.994975
where:
bonds (distance) C4'-P energy: -97.972
bonds (distance) P-C4' energy: -125.137
flat angles C4'-P-C4' energy: -115.080
flat angles P-C4'-P energy: -84.376
tors. eta vs tors. theta energy: -117.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -981.874795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.874795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.874795 (E_RNA)
where:
Base-Base interactions energy: -573.710
where: short stacking energy: -279.611
Base-Backbone interact. energy: -1.337
local terms energy: -406.826947
where:
bonds (distance) C4'-P energy: -95.363
bonds (distance) P-C4' energy: -103.899
flat angles C4'-P-C4' energy: -94.525
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -51.527
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: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1023.337447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.337447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.337447 (E_RNA)
where:
Base-Base interactions energy: -632.709
where: short stacking energy: -284.869
Base-Backbone interact. energy: -3.293
local terms energy: -387.335483
where:
bonds (distance) C4'-P energy: -105.782
bonds (distance) P-C4' energy: -85.651
flat angles C4'-P-C4' energy: -104.226
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -35.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -616.587387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.587387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.587387 (E_RNA)
where:
Base-Base interactions energy: -266.187
where: short stacking energy: -143.719
Base-Backbone interact. energy: -0.070
local terms energy: -350.329755
where:
bonds (distance) C4'-P energy: -118.902
bonds (distance) P-C4' energy: -104.254
flat angles C4'-P-C4' energy: -93.589
flat angles P-C4'-P energy: -40.746
tors. eta vs tors. theta energy: 7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -487.332967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.332967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.332967 (E_RNA)
where:
Base-Base interactions energy: -162.889
where: short stacking energy: -132.161
Base-Backbone interact. energy: -1.705
local terms energy: -322.739006
where:
bonds (distance) C4'-P energy: -87.006
bonds (distance) P-C4' energy: -111.331
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: 27.381
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: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2116.712985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.712985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.712985 (E_RNA)
where:
Base-Base interactions energy: -1475.062
where: short stacking energy: -606.173
Base-Backbone interact. energy: 0.233
local terms energy: -641.883782
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -130.894
flat angles C4'-P-C4' energy: -141.238
flat angles P-C4'-P energy: -88.289
tors. eta vs tors. theta energy: -175.078
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: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2064.059254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.059254 (E_RNA)
where:
Base-Base interactions energy: -1424.312
where: short stacking energy: -590.147
Base-Backbone interact. energy: -4.174
local terms energy: -635.573246
where:
bonds (distance) C4'-P energy: -106.800
bonds (distance) P-C4' energy: -120.162
flat angles C4'-P-C4' energy: -138.724
flat angles P-C4'-P energy: -94.685
tors. eta vs tors. theta energy: -175.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1967.894728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.894728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.894728 (E_RNA)
where:
Base-Base interactions energy: -1353.097
where: short stacking energy: -555.886
Base-Backbone interact. energy: 1.769
local terms energy: -616.566171
where:
bonds (distance) C4'-P energy: -129.796
bonds (distance) P-C4' energy: -118.266
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -75.843
tors. eta vs tors. theta energy: -169.138
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: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1880.981556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.981556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.981556 (E_RNA)
where:
Base-Base interactions energy: -1277.342
where: short stacking energy: -552.697
Base-Backbone interact. energy: -0.224
local terms energy: -603.415505
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -119.352
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -84.125
tors. eta vs tors. theta energy: -172.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1606.861501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.861501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.861501 (E_RNA)
where:
Base-Base interactions energy: -1075.204
where: short stacking energy: -458.601
Base-Backbone interact. energy: -0.283
local terms energy: -531.374496
where:
bonds (distance) C4'-P energy: -102.631
bonds (distance) P-C4' energy: -114.267
flat angles C4'-P-C4' energy: -114.402
flat angles P-C4'-P energy: -75.402
tors. eta vs tors. theta energy: -124.673
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: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1441.910130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.910130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.910130 (E_RNA)
where:
Base-Base interactions energy: -913.501
where: short stacking energy: -407.999
Base-Backbone interact. energy: -3.609
local terms energy: -524.799989
where:
bonds (distance) C4'-P energy: -116.550
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -104.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1045.472114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.472114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.472114 (E_RNA)
where:
Base-Base interactions energy: -611.866
where: short stacking energy: -286.080
Base-Backbone interact. energy: -2.746
local terms energy: -430.860161
where:
bonds (distance) C4'-P energy: -95.702
bonds (distance) P-C4' energy: -114.332
flat angles C4'-P-C4' energy: -115.650
flat angles P-C4'-P energy: -53.484
tors. eta vs tors. theta energy: -51.692
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: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -924.202353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.202353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.202353 (E_RNA)
where:
Base-Base interactions energy: -549.714
where: short stacking energy: -268.309
Base-Backbone interact. energy: 0.325
local terms energy: -374.812791
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -109.394
flat angles C4'-P-C4' energy: -101.128
flat angles P-C4'-P energy: -33.107
tors. eta vs tors. theta energy: -30.485
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: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -590.811663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.811663 (E_RNA)
where:
Base-Base interactions energy: -265.480
where: short stacking energy: -178.091
Base-Backbone interact. energy: 0.729
local terms energy: -326.059823
where:
bonds (distance) C4'-P energy: -89.590
bonds (distance) P-C4' energy: -97.747
flat angles C4'-P-C4' energy: -95.761
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: 8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -449.413955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.413955 (E_RNA)
where:
Base-Base interactions energy: -162.679
where: short stacking energy: -140.993
Base-Backbone interact. energy: 0.362
local terms energy: -287.096394
where:
bonds (distance) C4'-P energy: -76.811
bonds (distance) P-C4' energy: -112.283
flat angles C4'-P-C4' energy: -70.401
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: 27.694
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: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2098.791496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.791496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.791496 (E_RNA)
where:
Base-Base interactions energy: -1444.464
where: short stacking energy: -583.938
Base-Backbone interact. energy: -1.641
local terms energy: -652.686693
where:
bonds (distance) C4'-P energy: -112.764
bonds (distance) P-C4' energy: -130.303
flat angles C4'-P-C4' energy: -135.000
flat angles P-C4'-P energy: -93.614
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: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1992.955617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.955617 (E_RNA)
where:
Base-Base interactions energy: -1377.286
where: short stacking energy: -581.423
Base-Backbone interact. energy: 4.123
local terms energy: -619.793041
where:
bonds (distance) C4'-P energy: -107.588
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -134.005
flat angles P-C4'-P energy: -94.761
tors. eta vs tors. theta energy: -172.424
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1993.967465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.967465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.967465 (E_RNA)
where:
Base-Base interactions energy: -1395.747
where: short stacking energy: -567.823
Base-Backbone interact. energy: 2.616
local terms energy: -600.836006
where:
bonds (distance) C4'-P energy: -101.930
bonds (distance) P-C4' energy: -113.108
flat angles C4'-P-C4' energy: -124.498
flat angles P-C4'-P energy: -85.731
tors. eta vs tors. theta energy: -175.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1820.924362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.924362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.924362 (E_RNA)
where:
Base-Base interactions energy: -1220.049
where: short stacking energy: -510.814
Base-Backbone interact. energy: -0.072
local terms energy: -600.803256
where:
bonds (distance) C4'-P energy: -100.325
bonds (distance) P-C4' energy: -112.121
flat angles C4'-P-C4' energy: -130.646
flat angles P-C4'-P energy: -92.224
tors. eta vs tors. theta energy: -165.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1561.590142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.590142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.590142 (E_RNA)
where:
Base-Base interactions energy: -1038.615
where: short stacking energy: -447.431
Base-Backbone interact. energy: -1.837
local terms energy: -521.138207
where:
bonds (distance) C4'-P energy: -90.358
bonds (distance) P-C4' energy: -104.229
flat angles C4'-P-C4' energy: -111.349
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -126.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1520.714057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.714057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.714057 (E_RNA)
where:
Base-Base interactions energy: -976.581
where: short stacking energy: -441.188
Base-Backbone interact. energy: -0.089
local terms energy: -544.043493
where:
bonds (distance) C4'-P energy: -116.768
bonds (distance) P-C4' energy: -104.818
flat angles C4'-P-C4' energy: -125.448
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -127.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1056.235109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.235109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.235109 (E_RNA)
where:
Base-Base interactions energy: -615.171
where: short stacking energy: -306.613
Base-Backbone interact. energy: 1.664
local terms energy: -442.728691
where:
bonds (distance) C4'-P energy: -102.938
bonds (distance) P-C4' energy: -113.051
flat angles C4'-P-C4' energy: -101.327
flat angles P-C4'-P energy: -69.350
tors. eta vs tors. theta energy: -56.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -896.251142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.251142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.251142 (E_RNA)
where:
Base-Base interactions energy: -485.114
where: short stacking energy: -233.580
Base-Backbone interact. energy: -2.813
local terms energy: -408.324670
where:
bonds (distance) C4'-P energy: -95.920
bonds (distance) P-C4' energy: -106.544
flat angles C4'-P-C4' energy: -116.771
flat angles P-C4'-P energy: -62.935
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -604.083877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.083877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.083877 (E_RNA)
where:
Base-Base interactions energy: -229.794
where: short stacking energy: -152.903
Base-Backbone interact. energy: 1.241
local terms energy: -375.530585
where:
bonds (distance) C4'-P energy: -115.995
bonds (distance) P-C4' energy: -100.973
flat angles C4'-P-C4' energy: -102.842
flat angles P-C4'-P energy: -56.931
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -498.653294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.653294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.653294 (E_RNA)
where:
Base-Base interactions energy: -197.678
where: short stacking energy: -127.228
Base-Backbone interact. energy: -1.606
local terms energy: -299.369264
where:
bonds (distance) C4'-P energy: -103.864
bonds (distance) P-C4' energy: -98.173
flat angles C4'-P-C4' energy: -89.954
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: 30.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2116.976571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.976571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.976571 (E_RNA)
where:
Base-Base interactions energy: -1458.807
where: short stacking energy: -579.156
Base-Backbone interact. energy: -0.997
local terms energy: -657.172667
where:
bonds (distance) C4'-P energy: -116.824
bonds (distance) P-C4' energy: -126.974
flat angles C4'-P-C4' energy: -148.195
flat angles P-C4'-P energy: -89.911
tors. eta vs tors. theta energy: -175.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2002.569600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.569600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.569600 (E_RNA)
where:
Base-Base interactions energy: -1365.465
where: short stacking energy: -575.109
Base-Backbone interact. energy: -1.388
local terms energy: -635.716946
where:
bonds (distance) C4'-P energy: -120.714
bonds (distance) P-C4' energy: -124.356
flat angles C4'-P-C4' energy: -128.000
flat angles P-C4'-P energy: -90.936
tors. eta vs tors. theta energy: -171.711
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: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1999.195768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.195768 (E_RNA)
where:
Base-Base interactions energy: -1399.078
where: short stacking energy: -567.016
Base-Backbone interact. energy: -1.447
local terms energy: -598.670356
where:
bonds (distance) C4'-P energy: -111.350
bonds (distance) P-C4' energy: -110.168
flat angles C4'-P-C4' energy: -126.286
flat angles P-C4'-P energy: -84.871
tors. eta vs tors. theta energy: -165.995
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: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1812.597111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.597111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.597111 (E_RNA)
where:
Base-Base interactions energy: -1231.658
where: short stacking energy: -493.973
Base-Backbone interact. energy: -2.722
local terms energy: -578.216211
where:
bonds (distance) C4'-P energy: -98.126
bonds (distance) P-C4' energy: -114.213
flat angles C4'-P-C4' energy: -123.873
flat angles P-C4'-P energy: -94.857
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: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1598.599727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.599727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.599727 (E_RNA)
where:
Base-Base interactions energy: -1026.281
where: short stacking energy: -477.853
Base-Backbone interact. energy: -1.399
local terms energy: -570.920316
where:
bonds (distance) C4'-P energy: -125.692
bonds (distance) P-C4' energy: -112.928
flat angles C4'-P-C4' energy: -119.662
flat angles P-C4'-P energy: -72.029
tors. eta vs tors. theta energy: -140.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1515.054072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.054072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.054072 (E_RNA)
where:
Base-Base interactions energy: -966.572
where: short stacking energy: -440.427
Base-Backbone interact. energy: -1.363
local terms energy: -547.119182
where:
bonds (distance) C4'-P energy: -105.950
bonds (distance) P-C4' energy: -119.094
flat angles C4'-P-C4' energy: -106.090
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -134.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1099.326819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.326819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.326819 (E_RNA)
where:
Base-Base interactions energy: -682.238
where: short stacking energy: -334.749
Base-Backbone interact. energy: 8.271
local terms energy: -425.359712
where:
bonds (distance) C4'-P energy: -102.963
bonds (distance) P-C4' energy: -105.584
flat angles C4'-P-C4' energy: -95.056
flat angles P-C4'-P energy: -66.191
tors. eta vs tors. theta energy: -55.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -834.897952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.897952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.897952 (E_RNA)
where:
Base-Base interactions energy: -450.188
where: short stacking energy: -235.674
Base-Backbone interact. energy: 4.235
local terms energy: -388.944411
where:
bonds (distance) C4'-P energy: -94.785
bonds (distance) P-C4' energy: -107.029
flat angles C4'-P-C4' energy: -103.833
flat angles P-C4'-P energy: -57.867
tors. eta vs tors. theta energy: -25.431
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: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -645.719609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.719609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.719609 (E_RNA)
where:
Base-Base interactions energy: -271.587
where: short stacking energy: -173.018
Base-Backbone interact. energy: 0.749
local terms energy: -374.882448
where:
bonds (distance) C4'-P energy: -101.373
bonds (distance) P-C4' energy: -126.556
flat angles C4'-P-C4' energy: -95.374
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: 3.950
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: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -543.307114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.307114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.307114 (E_RNA)
where:
Base-Base interactions energy: -211.373
where: short stacking energy: -157.135
Base-Backbone interact. energy: 0.003
local terms energy: -331.937110
where:
bonds (distance) C4'-P energy: -106.732
bonds (distance) P-C4' energy: -93.399
flat angles C4'-P-C4' energy: -91.503
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: 6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2103.775729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.775729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.775729 (E_RNA)
where:
Base-Base interactions energy: -1464.986
where: short stacking energy: -601.737
Base-Backbone interact. energy: -2.363
local terms energy: -636.426294
where:
bonds (distance) C4'-P energy: -102.540
bonds (distance) P-C4' energy: -123.808
flat angles C4'-P-C4' energy: -139.099
flat angles P-C4'-P energy: -97.557
tors. eta vs tors. theta energy: -173.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2025.172762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.172762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.172762 (E_RNA)
where:
Base-Base interactions energy: -1375.122
where: short stacking energy: -570.529
Base-Backbone interact. energy: -3.491
local terms energy: -646.559108
where:
bonds (distance) C4'-P energy: -127.450
bonds (distance) P-C4' energy: -109.767
flat angles C4'-P-C4' energy: -135.780
flat angles P-C4'-P energy: -101.296
tors. eta vs tors. theta energy: -172.266
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: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2010.572241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.572241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.572241 (E_RNA)
where:
Base-Base interactions energy: -1407.264
where: short stacking energy: -561.011
Base-Backbone interact. energy: -2.756
local terms energy: -600.552550
where:
bonds (distance) C4'-P energy: -122.492
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -135.876
flat angles P-C4'-P energy: -69.276
tors. eta vs tors. theta energy: -156.328
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: 275
Temperature: 1.050000
Total energy: -1818.112530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.112530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.112530 (E_RNA)
where:
Base-Base interactions energy: -1228.020
where: short stacking energy: -501.087
Base-Backbone interact. energy: 0.202
local terms energy: -590.294512
where:
bonds (distance) C4'-P energy: -108.904
bonds (distance) P-C4' energy: -132.081
flat angles C4'-P-C4' energy: -132.692
flat angles P-C4'-P energy: -72.931
tors. eta vs tors. theta energy: -143.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1571.368102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.368102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.368102 (E_RNA)
where:
Base-Base interactions energy: -1019.289
where: short stacking energy: -468.148
Base-Backbone interact. energy: 4.564
local terms energy: -556.643277
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -116.683
flat angles C4'-P-C4' energy: -108.178
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -130.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1476.412577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.412577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.412577 (E_RNA)
where:
Base-Base interactions energy: -975.174
where: short stacking energy: -454.921
Base-Backbone interact. energy: 1.400
local terms energy: -502.638423
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -101.729
flat angles C4'-P-C4' energy: -111.444
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -125.601
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: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1181.385001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.385001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.385001 (E_RNA)
where:
Base-Base interactions energy: -736.293
where: short stacking energy: -312.909
Base-Backbone interact. energy: -1.706
local terms energy: -443.385664
where:
bonds (distance) C4'-P energy: -100.677
bonds (distance) P-C4' energy: -111.311
flat angles C4'-P-C4' energy: -103.225
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: -64.482
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: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -874.200161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.200161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.200161 (E_RNA)
where:
Base-Base interactions energy: -513.801
where: short stacking energy: -215.903
Base-Backbone interact. energy: -2.139
local terms energy: -358.260450
where:
bonds (distance) C4'-P energy: -89.614
bonds (distance) P-C4' energy: -96.513
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -68.202
tors. eta vs tors. theta energy: -2.641
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: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -624.807615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.807615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.807615 (E_RNA)
where:
Base-Base interactions energy: -280.294
where: short stacking energy: -170.929
Base-Backbone interact. energy: 0.772
local terms energy: -345.286100
where:
bonds (distance) C4'-P energy: -100.806
bonds (distance) P-C4' energy: -105.356
flat angles C4'-P-C4' energy: -107.283
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: 4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -482.889442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.889442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.889442 (E_RNA)
where:
Base-Base interactions energy: -173.815
where: short stacking energy: -124.052
Base-Backbone interact. energy: -1.190
local terms energy: -307.884491
where:
bonds (distance) C4'-P energy: -95.962
bonds (distance) P-C4' energy: -110.281
flat angles C4'-P-C4' energy: -78.917
flat angles P-C4'-P energy: -52.732
tors. eta vs tors. theta energy: 30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2112.260542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.260542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.260542 (E_RNA)
where:
Base-Base interactions energy: -1449.903
where: short stacking energy: -565.558
Base-Backbone interact. energy: -4.701
local terms energy: -657.657344
where:
bonds (distance) C4'-P energy: -129.713
bonds (distance) P-C4' energy: -133.932
flat angles C4'-P-C4' energy: -134.030
flat angles P-C4'-P energy: -87.591
tors. eta vs tors. theta energy: -172.392
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: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2007.094488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.094488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.094488 (E_RNA)
where:
Base-Base interactions energy: -1340.459
where: short stacking energy: -563.900
Base-Backbone interact. energy: -1.609
local terms energy: -665.027009
where:
bonds (distance) C4'-P energy: -130.098
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -142.139
flat angles P-C4'-P energy: -91.478
tors. eta vs tors. theta energy: -165.947
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: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1991.575896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.575896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.575896 (E_RNA)
where:
Base-Base interactions energy: -1382.012
where: short stacking energy: -543.810
Base-Backbone interact. energy: 2.250
local terms energy: -611.813949
where:
bonds (distance) C4'-P energy: -103.855
bonds (distance) P-C4' energy: -121.881
flat angles C4'-P-C4' energy: -135.981
flat angles P-C4'-P energy: -89.655
tors. eta vs tors. theta energy: -160.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1803.017605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.017605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.017605 (E_RNA)
where:
Base-Base interactions energy: -1227.375
where: short stacking energy: -508.359
Base-Backbone interact. energy: -4.293
local terms energy: -571.348820
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -113.339
flat angles C4'-P-C4' energy: -116.984
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -154.706
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1588.318458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.318458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.318458 (E_RNA)
where:
Base-Base interactions energy: -999.295
where: short stacking energy: -434.087
Base-Backbone interact. energy: 0.162
local terms energy: -589.184802
where:
bonds (distance) C4'-P energy: -127.790
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -134.052
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -132.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1536.947192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.947192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.947192 (E_RNA)
where:
Base-Base interactions energy: -984.274
where: short stacking energy: -428.426
Base-Backbone interact. energy: -0.503
local terms energy: -552.169903
where:
bonds (distance) C4'-P energy: -116.701
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -120.979
flat angles P-C4'-P energy: -89.161
tors. eta vs tors. theta energy: -112.933
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: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1124.159802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.159802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.159802 (E_RNA)
where:
Base-Base interactions energy: -691.900
where: short stacking energy: -331.312
Base-Backbone interact. energy: -1.075
local terms energy: -431.184808
where:
bonds (distance) C4'-P energy: -97.672
bonds (distance) P-C4' energy: -103.671
flat angles C4'-P-C4' energy: -106.692
flat angles P-C4'-P energy: -52.220
tors. eta vs tors. theta energy: -70.929
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: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -861.822257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.822257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.822257 (E_RNA)
where:
Base-Base interactions energy: -446.058
where: short stacking energy: -225.730
Base-Backbone interact. energy: 2.194
local terms energy: -417.957964
where:
bonds (distance) C4'-P energy: -110.314
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -99.213
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -708.879222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.879222 (E_RNA)
where:
Base-Base interactions energy: -330.134
where: short stacking energy: -188.287
Base-Backbone interact. energy: -3.444
local terms energy: -375.300825
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -99.609
flat angles C4'-P-C4' energy: -96.054
flat angles P-C4'-P energy: -71.737
tors. eta vs tors. theta energy: -5.131
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: 276
Temperature: 1.350000
Total energy: -472.793534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.793534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.793534 (E_RNA)
where:
Base-Base interactions energy: -159.660
where: short stacking energy: -127.056
Base-Backbone interact. energy: -3.574
local terms energy: -309.560360
where:
bonds (distance) C4'-P energy: -107.399
bonds (distance) P-C4' energy: -89.384
flat angles C4'-P-C4' energy: -90.469
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: 17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2147.720278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.720278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.720278 (E_RNA)
where:
Base-Base interactions energy: -1488.982
where: short stacking energy: -620.640
Base-Backbone interact. energy: -3.425
local terms energy: -655.313223
where:
bonds (distance) C4'-P energy: -121.863
bonds (distance) P-C4' energy: -115.281
flat angles C4'-P-C4' energy: -144.041
flat angles P-C4'-P energy: -91.298
tors. eta vs tors. theta energy: -182.830
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: 277
Temperature: 0.950000
Total energy: -2032.140192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.140192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.140192 (E_RNA)
where:
Base-Base interactions energy: -1382.541
where: short stacking energy: -577.814
Base-Backbone interact. energy: -5.878
local terms energy: -643.720906
where:
bonds (distance) C4'-P energy: -111.913
bonds (distance) P-C4' energy: -111.312
flat angles C4'-P-C4' energy: -141.913
flat angles P-C4'-P energy: -100.155
tors. eta vs tors. theta energy: -178.427
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: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1971.824610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.824610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.824610 (E_RNA)
where:
Base-Base interactions energy: -1344.380
where: short stacking energy: -566.544
Base-Backbone interact. energy: -0.361
local terms energy: -627.084439
where:
bonds (distance) C4'-P energy: -125.908
bonds (distance) P-C4' energy: -109.585
flat angles C4'-P-C4' energy: -141.418
flat angles P-C4'-P energy: -74.306
tors. eta vs tors. theta energy: -175.867
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1795.528217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.528217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.528217 (E_RNA)
where:
Base-Base interactions energy: -1224.764
where: short stacking energy: -507.020
Base-Backbone interact. energy: -3.343
local terms energy: -567.420915
where:
bonds (distance) C4'-P energy: -114.347
bonds (distance) P-C4' energy: -115.094
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -69.367
tors. eta vs tors. theta energy: -151.951
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: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1602.167131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.167131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.167131 (E_RNA)
where:
Base-Base interactions energy: -1059.730
where: short stacking energy: -460.725
Base-Backbone interact. energy: -1.741
local terms energy: -540.696644
where:
bonds (distance) C4'-P energy: -103.448
bonds (distance) P-C4' energy: -92.904
flat angles C4'-P-C4' energy: -129.047
flat angles P-C4'-P energy: -84.088
tors. eta vs tors. theta energy: -131.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1529.256258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.256258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.256258 (E_RNA)
where:
Base-Base interactions energy: -1006.241
where: short stacking energy: -453.409
Base-Backbone interact. energy: 2.532
local terms energy: -525.547254
where:
bonds (distance) C4'-P energy: -113.622
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -121.326
flat angles P-C4'-P energy: -71.733
tors. eta vs tors. theta energy: -116.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1107.300538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.300538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.300538 (E_RNA)
where:
Base-Base interactions energy: -684.919
where: short stacking energy: -304.131
Base-Backbone interact. energy: -1.635
local terms energy: -420.745974
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -101.508
flat angles C4'-P-C4' energy: -95.005
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -37.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -857.566856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.566856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.566856 (E_RNA)
where:
Base-Base interactions energy: -463.005
where: short stacking energy: -234.362
Base-Backbone interact. energy: -1.510
local terms energy: -393.051132
where:
bonds (distance) C4'-P energy: -88.765
bonds (distance) P-C4' energy: -105.806
flat angles C4'-P-C4' energy: -99.643
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -638.272712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.272712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.272712 (E_RNA)
where:
Base-Base interactions energy: -295.301
where: short stacking energy: -177.013
Base-Backbone interact. energy: 8.674
local terms energy: -351.646565
where:
bonds (distance) C4'-P energy: -97.808
bonds (distance) P-C4' energy: -112.351
flat angles C4'-P-C4' energy: -76.920
flat angles P-C4'-P energy: -62.931
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -448.637796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.637796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.637796 (E_RNA)
where:
Base-Base interactions energy: -133.149
where: short stacking energy: -114.961
Base-Backbone interact. energy: 6.320
local terms energy: -321.808633
where:
bonds (distance) C4'-P energy: -107.919
bonds (distance) P-C4' energy: -95.687
flat angles C4'-P-C4' energy: -107.244
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: 37.488
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: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2124.447779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.447779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.447779 (E_RNA)
where:
Base-Base interactions energy: -1460.552
where: short stacking energy: -593.100
Base-Backbone interact. energy: -2.576
local terms energy: -661.319537
where:
bonds (distance) C4'-P energy: -128.493
bonds (distance) P-C4' energy: -114.788
flat angles C4'-P-C4' energy: -139.408
flat angles P-C4'-P energy: -93.297
tors. eta vs tors. theta energy: -185.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1995.758914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.758914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.758914 (E_RNA)
where:
Base-Base interactions energy: -1383.349
where: short stacking energy: -573.239
Base-Backbone interact. energy: -2.682
local terms energy: -609.728349
where:
bonds (distance) C4'-P energy: -107.961
bonds (distance) P-C4' energy: -116.824
flat angles C4'-P-C4' energy: -127.698
flat angles P-C4'-P energy: -93.401
tors. eta vs tors. theta energy: -163.845
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: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1896.140203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.140203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.140203 (E_RNA)
where:
Base-Base interactions energy: -1280.872
where: short stacking energy: -551.930
Base-Backbone interact. energy: -0.354
local terms energy: -614.913294
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -117.262
flat angles C4'-P-C4' energy: -126.010
flat angles P-C4'-P energy: -84.863
tors. eta vs tors. theta energy: -166.986
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1787.902796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.902796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.902796 (E_RNA)
where:
Base-Base interactions energy: -1174.707
where: short stacking energy: -486.069
Base-Backbone interact. energy: -1.313
local terms energy: -611.883302
where:
bonds (distance) C4'-P energy: -117.363
bonds (distance) P-C4' energy: -126.584
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -147.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1584.766455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.766455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.766455 (E_RNA)
where:
Base-Base interactions energy: -1038.562
where: short stacking energy: -423.726
Base-Backbone interact. energy: -5.135
local terms energy: -541.069325
where:
bonds (distance) C4'-P energy: -117.772
bonds (distance) P-C4' energy: -120.055
flat angles C4'-P-C4' energy: -122.717
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -110.460
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: 278
Temperature: 1.150000
Total energy: -1541.627933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.627933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.627933 (E_RNA)
where:
Base-Base interactions energy: -1026.770
where: short stacking energy: -454.026
Base-Backbone interact. energy: -0.999
local terms energy: -513.859095
where:
bonds (distance) C4'-P energy: -94.677
bonds (distance) P-C4' energy: -117.754
flat angles C4'-P-C4' energy: -115.066
flat angles P-C4'-P energy: -65.988
tors. eta vs tors. theta energy: -120.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1210.118336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.118336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.118336 (E_RNA)
where:
Base-Base interactions energy: -786.088
where: short stacking energy: -343.773
Base-Backbone interact. energy: -1.158
local terms energy: -422.871525
where:
bonds (distance) C4'-P energy: -77.055
bonds (distance) P-C4' energy: -115.188
flat angles C4'-P-C4' energy: -91.184
flat angles P-C4'-P energy: -74.655
tors. eta vs tors. theta energy: -64.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -900.310056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.310056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.310056 (E_RNA)
where:
Base-Base interactions energy: -490.945
where: short stacking energy: -246.987
Base-Backbone interact. energy: -2.113
local terms energy: -407.252280
where:
bonds (distance) C4'-P energy: -112.116
bonds (distance) P-C4' energy: -108.644
flat angles C4'-P-C4' energy: -88.730
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -34.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -633.759803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.759803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.759803 (E_RNA)
where:
Base-Base interactions energy: -275.470
where: short stacking energy: -184.338
Base-Backbone interact. energy: -1.463
local terms energy: -356.827407
where:
bonds (distance) C4'-P energy: -101.580
bonds (distance) P-C4' energy: -105.102
flat angles C4'-P-C4' energy: -108.187
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: 3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -497.985870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.985870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.985870 (E_RNA)
where:
Base-Base interactions energy: -187.295
where: short stacking energy: -156.251
Base-Backbone interact. energy: 0.468
local terms energy: -311.159283
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -109.658
flat angles C4'-P-C4' energy: -84.502
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: 9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2148.358251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.358251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.358251 (E_RNA)
where:
Base-Base interactions energy: -1496.574
where: short stacking energy: -633.615
Base-Backbone interact. energy: 2.433
local terms energy: -654.217376
where:
bonds (distance) C4'-P energy: -114.346
bonds (distance) P-C4' energy: -130.206
flat angles C4'-P-C4' energy: -144.076
flat angles P-C4'-P energy: -85.458
tors. eta vs tors. theta energy: -180.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2072.980921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.980921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.980921 (E_RNA)
where:
Base-Base interactions energy: -1427.038
where: short stacking energy: -567.087
Base-Backbone interact. energy: -2.383
local terms energy: -643.560135
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -137.059
flat angles C4'-P-C4' energy: -136.047
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -156.447
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1912.288288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.288288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.288288 (E_RNA)
where:
Base-Base interactions energy: -1306.205
where: short stacking energy: -543.924
Base-Backbone interact. energy: -2.311
local terms energy: -603.772537
where:
bonds (distance) C4'-P energy: -106.560
bonds (distance) P-C4' energy: -122.149
flat angles C4'-P-C4' energy: -133.788
flat angles P-C4'-P energy: -74.973
tors. eta vs tors. theta energy: -166.303
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: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1810.372290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.372290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.372290 (E_RNA)
where:
Base-Base interactions energy: -1234.816
where: short stacking energy: -505.535
Base-Backbone interact. energy: -1.770
local terms energy: -573.786811
where:
bonds (distance) C4'-P energy: -92.398
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -133.622
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -139.544
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1651.903302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.903302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.903302 (E_RNA)
where:
Base-Base interactions energy: -1102.011
where: short stacking energy: -464.465
Base-Backbone interact. energy: -1.854
local terms energy: -548.037845
where:
bonds (distance) C4'-P energy: -94.977
bonds (distance) P-C4' energy: -113.241
flat angles C4'-P-C4' energy: -125.243
flat angles P-C4'-P energy: -79.095
tors. eta vs tors. theta energy: -135.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1569.775061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.775061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.775061 (E_RNA)
where:
Base-Base interactions energy: -1039.820
where: short stacking energy: -458.989
Base-Backbone interact. energy: -1.912
local terms energy: -528.043630
where:
bonds (distance) C4'-P energy: -100.389
bonds (distance) P-C4' energy: -106.514
flat angles C4'-P-C4' energy: -127.298
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -125.926
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: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1267.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.613182 (E_RNA)
where:
Base-Base interactions energy: -798.666
where: short stacking energy: -348.385
Base-Backbone interact. energy: -3.752
local terms energy: -465.195460
where:
bonds (distance) C4'-P energy: -110.089
bonds (distance) P-C4' energy: -113.871
flat angles C4'-P-C4' energy: -97.825
flat angles P-C4'-P energy: -69.905
tors. eta vs tors. theta energy: -73.505
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: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -869.797299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.797299 (E_RNA)
where:
Base-Base interactions energy: -480.136
where: short stacking energy: -221.286
Base-Backbone interact. energy: 1.178
local terms energy: -390.839173
where:
bonds (distance) C4'-P energy: -99.749
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -105.906
flat angles P-C4'-P energy: -62.731
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -617.379107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.379107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.379107 (E_RNA)
where:
Base-Base interactions energy: -242.133
where: short stacking energy: -170.574
Base-Backbone interact. energy: 0.216
local terms energy: -375.462457
where:
bonds (distance) C4'-P energy: -113.308
bonds (distance) P-C4' energy: -131.029
flat angles C4'-P-C4' energy: -97.196
flat angles P-C4'-P energy: -50.702
tors. eta vs tors. theta energy: 16.771
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: 279
Temperature: 1.350000
Total energy: -483.988478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.988478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.988478 (E_RNA)
where:
Base-Base interactions energy: -166.217
where: short stacking energy: -149.273
Base-Backbone interact. energy: 6.102
local terms energy: -323.873416
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -97.217
flat angles C4'-P-C4' energy: -88.093
flat angles P-C4'-P energy: -59.548
tors. eta vs tors. theta energy: 17.026
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: 280
Temperature: 0.900000
Total energy: -2134.473654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.473654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.473654 (E_RNA)
where:
Base-Base interactions energy: -1483.931
where: short stacking energy: -603.191
Base-Backbone interact. energy: -4.921
local terms energy: -645.622126
where:
bonds (distance) C4'-P energy: -119.460
bonds (distance) P-C4' energy: -118.807
flat angles C4'-P-C4' energy: -138.099
flat angles P-C4'-P energy: -89.240
tors. eta vs tors. theta energy: -180.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2079.693728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.693728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.693728 (E_RNA)
where:
Base-Base interactions energy: -1439.408
where: short stacking energy: -570.280
Base-Backbone interact. energy: -2.260
local terms energy: -638.025780
where:
bonds (distance) C4'-P energy: -130.018
bonds (distance) P-C4' energy: -113.496
flat angles C4'-P-C4' energy: -135.127
flat angles P-C4'-P energy: -91.265
tors. eta vs tors. theta energy: -168.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1951.689134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.689134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.689134 (E_RNA)
where:
Base-Base interactions energy: -1363.900
where: short stacking energy: -582.285
Base-Backbone interact. energy: -2.780
local terms energy: -585.008888
where:
bonds (distance) C4'-P energy: -111.258
bonds (distance) P-C4' energy: -99.342
flat angles C4'-P-C4' energy: -126.735
flat angles P-C4'-P energy: -88.953
tors. eta vs tors. theta energy: -158.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1768.721759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.721759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.721759 (E_RNA)
where:
Base-Base interactions energy: -1214.211
where: short stacking energy: -474.505
Base-Backbone interact. energy: -3.313
local terms energy: -551.196942
where:
bonds (distance) C4'-P energy: -101.349
bonds (distance) P-C4' energy: -105.321
flat angles C4'-P-C4' energy: -112.678
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -140.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1662.289713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.289713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.289713 (E_RNA)
where:
Base-Base interactions energy: -1106.084
where: short stacking energy: -489.479
Base-Backbone interact. energy: -1.235
local terms energy: -554.971314
where:
bonds (distance) C4'-P energy: -104.420
bonds (distance) P-C4' energy: -112.555
flat angles C4'-P-C4' energy: -116.307
flat angles P-C4'-P energy: -87.907
tors. eta vs tors. theta energy: -133.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1595.282805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.282805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.282805 (E_RNA)
where:
Base-Base interactions energy: -1066.724
where: short stacking energy: -450.670
Base-Backbone interact. energy: -1.870
local terms energy: -526.688026
where:
bonds (distance) C4'-P energy: -84.825
bonds (distance) P-C4' energy: -105.699
flat angles C4'-P-C4' energy: -117.848
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -134.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1260.442779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.442779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.442779 (E_RNA)
where:
Base-Base interactions energy: -783.591
where: short stacking energy: -345.256
Base-Backbone interact. energy: -4.139
local terms energy: -472.711879
where:
bonds (distance) C4'-P energy: -114.564
bonds (distance) P-C4' energy: -104.658
flat angles C4'-P-C4' energy: -110.459
flat angles P-C4'-P energy: -76.853
tors. eta vs tors. theta energy: -66.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -875.377069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.377069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.377069 (E_RNA)
where:
Base-Base interactions energy: -496.402
where: short stacking energy: -253.150
Base-Backbone interact. energy: 3.896
local terms energy: -382.871164
where:
bonds (distance) C4'-P energy: -104.448
bonds (distance) P-C4' energy: -111.890
flat angles C4'-P-C4' energy: -83.988
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -619.957820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.957820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.957820 (E_RNA)
where:
Base-Base interactions energy: -271.719
where: short stacking energy: -182.311
Base-Backbone interact. energy: 2.859
local terms energy: -351.098353
where:
bonds (distance) C4'-P energy: -82.538
bonds (distance) P-C4' energy: -116.212
flat angles C4'-P-C4' energy: -87.140
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -474.614223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.614223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.614223 (E_RNA)
where:
Base-Base interactions energy: -171.193
where: short stacking energy: -142.026
Base-Backbone interact. energy: 0.445
local terms energy: -303.866901
where:
bonds (distance) C4'-P energy: -110.144
bonds (distance) P-C4' energy: -91.005
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: 15.414
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: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2166.680135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.680135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.680135 (E_RNA)
where:
Base-Base interactions energy: -1475.775
where: short stacking energy: -600.542
Base-Backbone interact. energy: -2.481
local terms energy: -688.424052
where:
bonds (distance) C4'-P energy: -124.911
bonds (distance) P-C4' energy: -124.031
flat angles C4'-P-C4' energy: -149.192
flat angles P-C4'-P energy: -101.545
tors. eta vs tors. theta energy: -188.745
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2097.716953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.716953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.716953 (E_RNA)
where:
Base-Base interactions energy: -1452.373
where: short stacking energy: -594.099
Base-Backbone interact. energy: -0.099
local terms energy: -645.243996
where:
bonds (distance) C4'-P energy: -121.328
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -137.459
flat angles P-C4'-P energy: -86.353
tors. eta vs tors. theta energy: -185.280
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1934.668267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.668267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.668267 (E_RNA)
where:
Base-Base interactions energy: -1340.133
where: short stacking energy: -568.427
Base-Backbone interact. energy: -2.380
local terms energy: -592.154853
where:
bonds (distance) C4'-P energy: -109.304
bonds (distance) P-C4' energy: -114.486
flat angles C4'-P-C4' energy: -120.245
flat angles P-C4'-P energy: -73.898
tors. eta vs tors. theta energy: -174.222
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1812.138244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.138244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.138244 (E_RNA)
where:
Base-Base interactions energy: -1237.287
where: short stacking energy: -499.785
Base-Backbone interact. energy: 1.135
local terms energy: -575.986566
where:
bonds (distance) C4'-P energy: -98.365
bonds (distance) P-C4' energy: -124.386
flat angles C4'-P-C4' energy: -129.666
flat angles P-C4'-P energy: -73.222
tors. eta vs tors. theta energy: -150.347
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: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1638.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.829065 (E_RNA)
where:
Base-Base interactions energy: -1100.354
where: short stacking energy: -444.822
Base-Backbone interact. energy: -2.540
local terms energy: -535.935083
where:
bonds (distance) C4'-P energy: -110.653
bonds (distance) P-C4' energy: -109.451
flat angles C4'-P-C4' energy: -105.733
flat angles P-C4'-P energy: -81.575
tors. eta vs tors. theta energy: -128.522
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: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1569.562232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.562232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.562232 (E_RNA)
where:
Base-Base interactions energy: -998.167
where: short stacking energy: -441.196
Base-Backbone interact. energy: -2.735
local terms energy: -568.659692
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -135.390
flat angles P-C4'-P energy: -76.171
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: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1148.128493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.128493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.128493 (E_RNA)
where:
Base-Base interactions energy: -713.194
where: short stacking energy: -308.256
Base-Backbone interact. energy: -3.820
local terms energy: -431.115297
where:
bonds (distance) C4'-P energy: -94.490
bonds (distance) P-C4' energy: -107.013
flat angles C4'-P-C4' energy: -90.160
flat angles P-C4'-P energy: -73.653
tors. eta vs tors. theta energy: -65.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -880.665498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.665498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.665498 (E_RNA)
where:
Base-Base interactions energy: -487.118
where: short stacking energy: -243.004
Base-Backbone interact. energy: -1.869
local terms energy: -391.679141
where:
bonds (distance) C4'-P energy: -101.499
bonds (distance) P-C4' energy: -105.730
flat angles C4'-P-C4' energy: -97.109
flat angles P-C4'-P energy: -61.658
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: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -591.938338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.938338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.938338 (E_RNA)
where:
Base-Base interactions energy: -281.298
where: short stacking energy: -165.584
Base-Backbone interact. energy: 3.683
local terms energy: -314.323058
where:
bonds (distance) C4'-P energy: -95.233
bonds (distance) P-C4' energy: -92.826
flat angles C4'-P-C4' energy: -78.608
flat angles P-C4'-P energy: -46.828
tors. eta vs tors. theta energy: -0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -533.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.074828 (E_RNA)
where:
Base-Base interactions energy: -196.259
where: short stacking energy: -137.702
Base-Backbone interact. energy: 2.214
local terms energy: -339.029955
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -109.296
flat angles C4'-P-C4' energy: -98.634
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: 17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2170.637489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.637489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.637489 (E_RNA)
where:
Base-Base interactions energy: -1485.667
where: short stacking energy: -636.142
Base-Backbone interact. energy: -3.777
local terms energy: -681.193481
where:
bonds (distance) C4'-P energy: -120.164
bonds (distance) P-C4' energy: -125.736
flat angles C4'-P-C4' energy: -149.330
flat angles P-C4'-P energy: -89.405
tors. eta vs tors. theta energy: -196.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2084.102671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.102671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.102671 (E_RNA)
where:
Base-Base interactions energy: -1445.428
where: short stacking energy: -592.402
Base-Backbone interact. energy: -3.727
local terms energy: -634.947218
where:
bonds (distance) C4'-P energy: -120.526
bonds (distance) P-C4' energy: -125.536
flat angles C4'-P-C4' energy: -129.657
flat angles P-C4'-P energy: -84.066
tors. eta vs tors. theta energy: -175.162
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: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1924.556618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.556618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.556618 (E_RNA)
where:
Base-Base interactions energy: -1296.590
where: short stacking energy: -566.027
Base-Backbone interact. energy: -0.533
local terms energy: -627.433935
where:
bonds (distance) C4'-P energy: -106.704
bonds (distance) P-C4' energy: -116.885
flat angles C4'-P-C4' energy: -139.180
flat angles P-C4'-P energy: -94.884
tors. eta vs tors. theta energy: -169.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1840.998513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.998513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.998513 (E_RNA)
where:
Base-Base interactions energy: -1247.751
where: short stacking energy: -512.579
Base-Backbone interact. energy: 0.801
local terms energy: -594.049294
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -121.924
flat angles C4'-P-C4' energy: -133.787
flat angles P-C4'-P energy: -78.336
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: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1643.338120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.338120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.338120 (E_RNA)
where:
Base-Base interactions energy: -1115.054
where: short stacking energy: -483.091
Base-Backbone interact. energy: -0.648
local terms energy: -527.636052
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -109.201
flat angles C4'-P-C4' energy: -120.434
flat angles P-C4'-P energy: -69.586
tors. eta vs tors. theta energy: -138.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1565.329235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.329235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.329235 (E_RNA)
where:
Base-Base interactions energy: -1016.068
where: short stacking energy: -436.557
Base-Backbone interact. energy: -0.238
local terms energy: -549.023874
where:
bonds (distance) C4'-P energy: -116.274
bonds (distance) P-C4' energy: -121.611
flat angles C4'-P-C4' energy: -129.190
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -112.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1247.583818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.583818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.583818 (E_RNA)
where:
Base-Base interactions energy: -778.612
where: short stacking energy: -344.273
Base-Backbone interact. energy: -1.686
local terms energy: -467.285985
where:
bonds (distance) C4'-P energy: -104.588
bonds (distance) P-C4' energy: -114.534
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -68.908
tors. eta vs tors. theta energy: -71.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -911.935616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.935616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.935616 (E_RNA)
where:
Base-Base interactions energy: -486.276
where: short stacking energy: -251.539
Base-Backbone interact. energy: -0.129
local terms energy: -425.530719
where:
bonds (distance) C4'-P energy: -115.597
bonds (distance) P-C4' energy: -106.605
flat angles C4'-P-C4' energy: -99.946
flat angles P-C4'-P energy: -66.673
tors. eta vs tors. theta energy: -36.709
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: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -649.733016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.733016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.733016 (E_RNA)
where:
Base-Base interactions energy: -298.020
where: short stacking energy: -198.925
Base-Backbone interact. energy: 0.772
local terms energy: -352.485208
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -86.217
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -575.568985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.568985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.568985 (E_RNA)
where:
Base-Base interactions energy: -273.770
where: short stacking energy: -158.608
Base-Backbone interact. energy: 2.785
local terms energy: -304.583445
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -89.648
flat angles C4'-P-C4' energy: -73.312
flat angles P-C4'-P energy: -63.217
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2145.252351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.252351 (E_RNA)
where:
Base-Base interactions energy: -1496.072
where: short stacking energy: -613.029
Base-Backbone interact. energy: -1.894
local terms energy: -647.285903
where:
bonds (distance) C4'-P energy: -122.929
bonds (distance) P-C4' energy: -117.515
flat angles C4'-P-C4' energy: -136.444
flat angles P-C4'-P energy: -83.434
tors. eta vs tors. theta energy: -186.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2074.285692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.285692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.285692 (E_RNA)
where:
Base-Base interactions energy: -1448.091
where: short stacking energy: -591.179
Base-Backbone interact. energy: -2.025
local terms energy: -624.169787
where:
bonds (distance) C4'-P energy: -116.907
bonds (distance) P-C4' energy: -129.219
flat angles C4'-P-C4' energy: -122.160
flat angles P-C4'-P energy: -79.012
tors. eta vs tors. theta energy: -176.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1912.697938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.697938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.697938 (E_RNA)
where:
Base-Base interactions energy: -1278.585
where: short stacking energy: -546.513
Base-Backbone interact. energy: 0.263
local terms energy: -634.376399
where:
bonds (distance) C4'-P energy: -121.739
bonds (distance) P-C4' energy: -116.271
flat angles C4'-P-C4' energy: -136.850
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -170.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1810.709506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.709506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.709506 (E_RNA)
where:
Base-Base interactions energy: -1248.187
where: short stacking energy: -537.473
Base-Backbone interact. energy: -3.587
local terms energy: -558.935074
where:
bonds (distance) C4'-P energy: -106.428
bonds (distance) P-C4' energy: -107.400
flat angles C4'-P-C4' energy: -130.663
flat angles P-C4'-P energy: -71.088
tors. eta vs tors. theta energy: -143.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1672.666325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.666325 (E_RNA)
where:
Base-Base interactions energy: -1129.222
where: short stacking energy: -477.735
Base-Backbone interact. energy: -1.460
local terms energy: -541.983963
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -117.316
flat angles C4'-P-C4' energy: -121.886
flat angles P-C4'-P energy: -55.880
tors. eta vs tors. theta energy: -145.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1568.979368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.979368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.979368 (E_RNA)
where:
Base-Base interactions energy: -1032.233
where: short stacking energy: -450.090
Base-Backbone interact. energy: 0.905
local terms energy: -537.650900
where:
bonds (distance) C4'-P energy: -116.567
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -122.728
flat angles P-C4'-P energy: -75.229
tors. eta vs tors. theta energy: -130.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1227.755711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.755711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.755711 (E_RNA)
where:
Base-Base interactions energy: -792.104
where: short stacking energy: -330.703
Base-Backbone interact. energy: -0.272
local terms energy: -435.379208
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -121.803
flat angles C4'-P-C4' energy: -113.124
flat angles P-C4'-P energy: -55.459
tors. eta vs tors. theta energy: -54.841
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: 283
Temperature: 1.250000
Total energy: -885.860189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.860189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.860189 (E_RNA)
where:
Base-Base interactions energy: -479.317
where: short stacking energy: -270.534
Base-Backbone interact. energy: 7.706
local terms energy: -414.249258
where:
bonds (distance) C4'-P energy: -72.628
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -110.523
flat angles P-C4'-P energy: -57.021
tors. eta vs tors. theta energy: -51.745
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: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -625.584914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.584914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.584914 (E_RNA)
where:
Base-Base interactions energy: -289.265
where: short stacking energy: -161.748
Base-Backbone interact. energy: -1.029
local terms energy: -335.291031
where:
bonds (distance) C4'-P energy: -89.291
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -93.505
flat angles P-C4'-P energy: -43.764
tors. eta vs tors. theta energy: 4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -611.801121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.801121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.801121 (E_RNA)
where:
Base-Base interactions energy: -300.847
where: short stacking energy: -191.651
Base-Backbone interact. energy: -1.226
local terms energy: -309.728768
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -97.176
flat angles C4'-P-C4' energy: -70.950
flat angles P-C4'-P energy: -44.558
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2149.328202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.328202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.328202 (E_RNA)
where:
Base-Base interactions energy: -1468.719
where: short stacking energy: -619.889
Base-Backbone interact. energy: -2.734
local terms energy: -677.874752
where:
bonds (distance) C4'-P energy: -107.971
bonds (distance) P-C4' energy: -129.334
flat angles C4'-P-C4' energy: -145.259
flat angles P-C4'-P energy: -106.570
tors. eta vs tors. theta energy: -188.740
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: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2070.597484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.597484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.597484 (E_RNA)
where:
Base-Base interactions energy: -1449.468
where: short stacking energy: -588.682
Base-Backbone interact. energy: -1.011
local terms energy: -620.117771
where:
bonds (distance) C4'-P energy: -109.627
bonds (distance) P-C4' energy: -109.058
flat angles C4'-P-C4' energy: -138.475
flat angles P-C4'-P energy: -82.087
tors. eta vs tors. theta energy: -180.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1893.271016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.271016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.271016 (E_RNA)
where:
Base-Base interactions energy: -1292.315
where: short stacking energy: -541.743
Base-Backbone interact. energy: -2.354
local terms energy: -598.601804
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -112.889
flat angles C4'-P-C4' energy: -123.205
flat angles P-C4'-P energy: -86.146
tors. eta vs tors. theta energy: -155.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1838.750080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.750080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.750080 (E_RNA)
where:
Base-Base interactions energy: -1232.099
where: short stacking energy: -499.875
Base-Backbone interact. energy: 2.008
local terms energy: -608.659338
where:
bonds (distance) C4'-P energy: -114.528
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -134.270
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -155.879
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: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1704.075644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.075644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.075644 (E_RNA)
where:
Base-Base interactions energy: -1139.834
where: short stacking energy: -483.206
Base-Backbone interact. energy: -1.221
local terms energy: -563.020130
where:
bonds (distance) C4'-P energy: -114.177
bonds (distance) P-C4' energy: -114.683
flat angles C4'-P-C4' energy: -119.599
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -145.594
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: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1558.560717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.560717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.560717 (E_RNA)
where:
Base-Base interactions energy: -1044.062
where: short stacking energy: -453.768
Base-Backbone interact. energy: -1.179
local terms energy: -513.319935
where:
bonds (distance) C4'-P energy: -101.267
bonds (distance) P-C4' energy: -109.430
flat angles C4'-P-C4' energy: -105.969
flat angles P-C4'-P energy: -59.071
tors. eta vs tors. theta energy: -137.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1207.134593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.134593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.134593 (E_RNA)
where:
Base-Base interactions energy: -728.228
where: short stacking energy: -344.851
Base-Backbone interact. energy: -3.160
local terms energy: -475.747092
where:
bonds (distance) C4'-P energy: -96.382
bonds (distance) P-C4' energy: -130.980
flat angles C4'-P-C4' energy: -110.050
flat angles P-C4'-P energy: -67.911
tors. eta vs tors. theta energy: -70.424
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: 284
Temperature: 1.250000
Total energy: -957.623523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.623523 (E_RNA)
where:
Base-Base interactions energy: -535.934
where: short stacking energy: -242.680
Base-Backbone interact. energy: -1.420
local terms energy: -420.269436
where:
bonds (distance) C4'-P energy: -98.555
bonds (distance) P-C4' energy: -108.662
flat angles C4'-P-C4' energy: -106.786
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -42.518
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: 284
Temperature: 1.300000
Total energy: -664.820850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.820850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.820850 (E_RNA)
where:
Base-Base interactions energy: -302.929
where: short stacking energy: -186.720
Base-Backbone interact. energy: 0.005
local terms energy: -361.896862
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -105.652
flat angles C4'-P-C4' energy: -95.347
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -598.962195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.962195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.962195 (E_RNA)
where:
Base-Base interactions energy: -258.157
where: short stacking energy: -151.318
Base-Backbone interact. energy: 0.094
local terms energy: -340.899607
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -114.789
flat angles P-C4'-P energy: -40.305
tors. eta vs tors. theta energy: 14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2147.011571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.011571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.011571 (E_RNA)
where:
Base-Base interactions energy: -1490.601
where: short stacking energy: -627.616
Base-Backbone interact. energy: 0.224
local terms energy: -656.634591
where:
bonds (distance) C4'-P energy: -117.565
bonds (distance) P-C4' energy: -125.369
flat angles C4'-P-C4' energy: -135.491
flat angles P-C4'-P energy: -87.851
tors. eta vs tors. theta energy: -190.358
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: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2084.928972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.928972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.928972 (E_RNA)
where:
Base-Base interactions energy: -1436.250
where: short stacking energy: -599.165
Base-Backbone interact. energy: -6.396
local terms energy: -642.282288
where:
bonds (distance) C4'-P energy: -134.852
bonds (distance) P-C4' energy: -119.826
flat angles C4'-P-C4' energy: -128.473
flat angles P-C4'-P energy: -89.708
tors. eta vs tors. theta energy: -169.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1859.829786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.829786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.829786 (E_RNA)
where:
Base-Base interactions energy: -1279.807
where: short stacking energy: -495.379
Base-Backbone interact. energy: -0.592
local terms energy: -579.430882
where:
bonds (distance) C4'-P energy: -114.390
bonds (distance) P-C4' energy: -106.610
flat angles C4'-P-C4' energy: -134.615
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -150.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1875.205544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.205544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.205544 (E_RNA)
where:
Base-Base interactions energy: -1295.286
where: short stacking energy: -559.620
Base-Backbone interact. energy: -1.267
local terms energy: -578.652738
where:
bonds (distance) C4'-P energy: -97.629
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -137.166
flat angles P-C4'-P energy: -83.885
tors. eta vs tors. theta energy: -159.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1676.045360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.045360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.045360 (E_RNA)
where:
Base-Base interactions energy: -1133.759
where: short stacking energy: -483.985
Base-Backbone interact. energy: -1.261
local terms energy: -541.025627
where:
bonds (distance) C4'-P energy: -88.105
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -118.139
flat angles P-C4'-P energy: -93.386
tors. eta vs tors. theta energy: -136.098
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: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1525.315469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.315469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.315469 (E_RNA)
where:
Base-Base interactions energy: -1008.125
where: short stacking energy: -457.749
Base-Backbone interact. energy: 0.837
local terms energy: -518.027423
where:
bonds (distance) C4'-P energy: -99.540
bonds (distance) P-C4' energy: -101.507
flat angles C4'-P-C4' energy: -118.089
flat angles P-C4'-P energy: -75.612
tors. eta vs tors. theta energy: -123.279
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1182.921171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.921171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.921171 (E_RNA)
where:
Base-Base interactions energy: -747.928
where: short stacking energy: -315.754
Base-Backbone interact. energy: 0.127
local terms energy: -435.120298
where:
bonds (distance) C4'-P energy: -106.454
bonds (distance) P-C4' energy: -109.250
flat angles C4'-P-C4' energy: -107.354
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -44.316
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: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -939.969198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.969198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.969198 (E_RNA)
where:
Base-Base interactions energy: -531.171
where: short stacking energy: -271.832
Base-Backbone interact. energy: -1.602
local terms energy: -407.196111
where:
bonds (distance) C4'-P energy: -101.974
bonds (distance) P-C4' energy: -111.100
flat angles C4'-P-C4' energy: -84.441
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -50.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -635.585223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.585223 (E_RNA)
where:
Base-Base interactions energy: -275.986
where: short stacking energy: -184.739
Base-Backbone interact. energy: 2.585
local terms energy: -362.183594
where:
bonds (distance) C4'-P energy: -106.910
bonds (distance) P-C4' energy: -107.969
flat angles C4'-P-C4' energy: -88.022
flat angles P-C4'-P energy: -58.470
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -581.837451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.837451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.837451 (E_RNA)
where:
Base-Base interactions energy: -251.679
where: short stacking energy: -162.615
Base-Backbone interact. energy: 1.922
local terms energy: -332.080441
where:
bonds (distance) C4'-P energy: -103.167
bonds (distance) P-C4' energy: -113.448
flat angles C4'-P-C4' energy: -77.214
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2123.077393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.077393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.077393 (E_RNA)
where:
Base-Base interactions energy: -1462.915
where: short stacking energy: -604.321
Base-Backbone interact. energy: -2.438
local terms energy: -657.723886
where:
bonds (distance) C4'-P energy: -108.237
bonds (distance) P-C4' energy: -134.313
flat angles C4'-P-C4' energy: -134.456
flat angles P-C4'-P energy: -101.230
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: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2077.140009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.140009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.140009 (E_RNA)
where:
Base-Base interactions energy: -1428.034
where: short stacking energy: -593.070
Base-Backbone interact. energy: -1.210
local terms energy: -647.896429
where:
bonds (distance) C4'-P energy: -114.400
bonds (distance) P-C4' energy: -124.463
flat angles C4'-P-C4' energy: -123.489
flat angles P-C4'-P energy: -106.128
tors. eta vs tors. theta energy: -179.416
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: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1852.691762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.691762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.691762 (E_RNA)
where:
Base-Base interactions energy: -1257.083
where: short stacking energy: -526.173
Base-Backbone interact. energy: 3.056
local terms energy: -598.664259
where:
bonds (distance) C4'-P energy: -112.547
bonds (distance) P-C4' energy: -129.132
flat angles C4'-P-C4' energy: -130.612
flat angles P-C4'-P energy: -80.835
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: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1814.667236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.667236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.667236 (E_RNA)
where:
Base-Base interactions energy: -1200.754
where: short stacking energy: -536.151
Base-Backbone interact. energy: 2.440
local terms energy: -616.353096
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -122.282
flat angles C4'-P-C4' energy: -118.220
flat angles P-C4'-P energy: -88.588
tors. eta vs tors. theta energy: -165.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1760.695195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.695195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.695195 (E_RNA)
where:
Base-Base interactions energy: -1178.231
where: short stacking energy: -502.989
Base-Backbone interact. energy: -2.729
local terms energy: -579.734864
where:
bonds (distance) C4'-P energy: -113.735
bonds (distance) P-C4' energy: -114.392
flat angles C4'-P-C4' energy: -130.535
flat angles P-C4'-P energy: -75.202
tors. eta vs tors. theta energy: -145.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1542.178568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.178568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.178568 (E_RNA)
where:
Base-Base interactions energy: -1040.487
where: short stacking energy: -440.731
Base-Backbone interact. energy: 2.348
local terms energy: -504.039183
where:
bonds (distance) C4'-P energy: -92.470
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -102.978
flat angles P-C4'-P energy: -75.009
tors. eta vs tors. theta energy: -134.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1271.267985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.267985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.267985 (E_RNA)
where:
Base-Base interactions energy: -839.533
where: short stacking energy: -346.340
Base-Backbone interact. energy: -2.260
local terms energy: -429.475649
where:
bonds (distance) C4'-P energy: -87.376
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -101.595
flat angles P-C4'-P energy: -49.690
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -924.129363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.129363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.129363 (E_RNA)
where:
Base-Base interactions energy: -533.710
where: short stacking energy: -266.720
Base-Backbone interact. energy: 0.353
local terms energy: -390.772368
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -94.869
flat angles C4'-P-C4' energy: -100.735
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -31.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -649.614587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.614587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.614587 (E_RNA)
where:
Base-Base interactions energy: -341.300
where: short stacking energy: -175.162
Base-Backbone interact. energy: 4.333
local terms energy: -312.647636
where:
bonds (distance) C4'-P energy: -99.616
bonds (distance) P-C4' energy: -98.359
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -62.127
tors. eta vs tors. theta energy: 16.221
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: 286
Temperature: 1.350000
Total energy: -594.271337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.271337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.271337 (E_RNA)
where:
Base-Base interactions energy: -231.837
where: short stacking energy: -139.089
Base-Backbone interact. energy: -0.226
local terms energy: -362.208821
where:
bonds (distance) C4'-P energy: -112.549
bonds (distance) P-C4' energy: -105.541
flat angles C4'-P-C4' energy: -89.162
flat angles P-C4'-P energy: -59.277
tors. eta vs tors. theta energy: 4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2134.980965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.980965 (E_RNA)
where:
Base-Base interactions energy: -1476.703
where: short stacking energy: -597.259
Base-Backbone interact. energy: -3.014
local terms energy: -655.263899
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -123.542
flat angles C4'-P-C4' energy: -142.422
flat angles P-C4'-P energy: -86.293
tors. eta vs tors. theta energy: -188.546
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: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2078.969603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.969603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.969603 (E_RNA)
where:
Base-Base interactions energy: -1444.197
where: short stacking energy: -602.048
Base-Backbone interact. energy: -1.110
local terms energy: -633.662624
where:
bonds (distance) C4'-P energy: -117.508
bonds (distance) P-C4' energy: -115.028
flat angles C4'-P-C4' energy: -127.362
flat angles P-C4'-P energy: -97.730
tors. eta vs tors. theta energy: -176.034
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: 287
Temperature: 1.000000
Total energy: -1859.407981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.407981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.407981 (E_RNA)
where:
Base-Base interactions energy: -1278.095
where: short stacking energy: -516.295
Base-Backbone interact. energy: 3.233
local terms energy: -584.545598
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -117.884
flat angles C4'-P-C4' energy: -132.915
flat angles P-C4'-P energy: -77.767
tors. eta vs tors. theta energy: -146.322
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: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1801.307924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.307924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.307924 (E_RNA)
where:
Base-Base interactions energy: -1205.608
where: short stacking energy: -520.684
Base-Backbone interact. energy: -3.857
local terms energy: -591.842954
where:
bonds (distance) C4'-P energy: -87.815
bonds (distance) P-C4' energy: -121.925
flat angles C4'-P-C4' energy: -127.833
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -163.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1795.235900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.235900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.235900 (E_RNA)
where:
Base-Base interactions energy: -1226.396
where: short stacking energy: -519.197
Base-Backbone interact. energy: -1.301
local terms energy: -567.538882
where:
bonds (distance) C4'-P energy: -112.395
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -130.814
flat angles P-C4'-P energy: -69.751
tors. eta vs tors. theta energy: -150.641
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: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1527.357741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.357741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.357741 (E_RNA)
where:
Base-Base interactions energy: -1032.843
where: short stacking energy: -458.872
Base-Backbone interact. energy: 2.382
local terms energy: -496.896478
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -128.287
flat angles P-C4'-P energy: -66.382
tors. eta vs tors. theta energy: -111.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1301.451709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.451709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.451709 (E_RNA)
where:
Base-Base interactions energy: -835.384
where: short stacking energy: -368.497
Base-Backbone interact. energy: 7.478
local terms energy: -473.546372
where:
bonds (distance) C4'-P energy: -106.389
bonds (distance) P-C4' energy: -99.910
flat angles C4'-P-C4' energy: -113.136
flat angles P-C4'-P energy: -61.140
tors. eta vs tors. theta energy: -92.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -929.895351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.895351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.895351 (E_RNA)
where:
Base-Base interactions energy: -504.072
where: short stacking energy: -254.888
Base-Backbone interact. energy: 1.582
local terms energy: -427.405482
where:
bonds (distance) C4'-P energy: -100.766
bonds (distance) P-C4' energy: -106.777
flat angles C4'-P-C4' energy: -112.546
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -32.873
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: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -661.947211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.947211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.947211 (E_RNA)
where:
Base-Base interactions energy: -290.906
where: short stacking energy: -172.017
Base-Backbone interact. energy: 5.650
local terms energy: -376.691104
where:
bonds (distance) C4'-P energy: -89.509
bonds (distance) P-C4' energy: -101.594
flat angles C4'-P-C4' energy: -107.672
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -581.977570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.977570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.977570 (E_RNA)
where:
Base-Base interactions energy: -274.522
where: short stacking energy: -169.448
Base-Backbone interact. energy: 1.885
local terms energy: -309.340951
where:
bonds (distance) C4'-P energy: -94.184
bonds (distance) P-C4' energy: -82.391
flat angles C4'-P-C4' energy: -114.079
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: 14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2122.506016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.506016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.506016 (E_RNA)
where:
Base-Base interactions energy: -1474.820
where: short stacking energy: -603.436
Base-Backbone interact. energy: -3.461
local terms energy: -644.224990
where:
bonds (distance) C4'-P energy: -116.378
bonds (distance) P-C4' energy: -129.084
flat angles C4'-P-C4' energy: -135.071
flat angles P-C4'-P energy: -89.142
tors. eta vs tors. theta energy: -174.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2098.828876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.828876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.828876 (E_RNA)
where:
Base-Base interactions energy: -1436.703
where: short stacking energy: -601.105
Base-Backbone interact. energy: 1.284
local terms energy: -663.409614
where:
bonds (distance) C4'-P energy: -122.471
bonds (distance) P-C4' energy: -134.768
flat angles C4'-P-C4' energy: -130.321
flat angles P-C4'-P energy: -94.215
tors. eta vs tors. theta energy: -181.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1935.553593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.553593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.553593 (E_RNA)
where:
Base-Base interactions energy: -1284.478
where: short stacking energy: -546.539
Base-Backbone interact. energy: -1.384
local terms energy: -649.691862
where:
bonds (distance) C4'-P energy: -124.531
bonds (distance) P-C4' energy: -124.640
flat angles C4'-P-C4' energy: -135.064
flat angles P-C4'-P energy: -93.581
tors. eta vs tors. theta energy: -171.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1789.104860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.104860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.104860 (E_RNA)
where:
Base-Base interactions energy: -1234.410
where: short stacking energy: -507.196
Base-Backbone interact. energy: -3.480
local terms energy: -551.214571
where:
bonds (distance) C4'-P energy: -107.372
bonds (distance) P-C4' energy: -110.090
flat angles C4'-P-C4' energy: -115.945
flat angles P-C4'-P energy: -91.506
tors. eta vs tors. theta energy: -126.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1762.904300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.904300 (E_RNA)
where:
Base-Base interactions energy: -1189.484
where: short stacking energy: -509.383
Base-Backbone interact. energy: -2.280
local terms energy: -571.139996
where:
bonds (distance) C4'-P energy: -116.942
bonds (distance) P-C4' energy: -106.452
flat angles C4'-P-C4' energy: -112.696
flat angles P-C4'-P energy: -83.407
tors. eta vs tors. theta energy: -151.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1608.032788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.032788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.032788 (E_RNA)
where:
Base-Base interactions energy: -1058.122
where: short stacking energy: -456.379
Base-Backbone interact. energy: 0.872
local terms energy: -550.782271
where:
bonds (distance) C4'-P energy: -110.039
bonds (distance) P-C4' energy: -100.660
flat angles C4'-P-C4' energy: -131.167
flat angles P-C4'-P energy: -82.558
tors. eta vs tors. theta energy: -126.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1359.636757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.636757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.636757 (E_RNA)
where:
Base-Base interactions energy: -895.425
where: short stacking energy: -366.092
Base-Backbone interact. energy: -2.544
local terms energy: -461.668512
where:
bonds (distance) C4'-P energy: -96.757
bonds (distance) P-C4' energy: -106.555
flat angles C4'-P-C4' energy: -98.903
flat angles P-C4'-P energy: -75.836
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -970.338092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.338092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.338092 (E_RNA)
where:
Base-Base interactions energy: -585.042
where: short stacking energy: -277.769
Base-Backbone interact. energy: -3.522
local terms energy: -381.774351
where:
bonds (distance) C4'-P energy: -85.020
bonds (distance) P-C4' energy: -92.809
flat angles C4'-P-C4' energy: -91.533
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -37.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -697.818779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.818779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.818779 (E_RNA)
where:
Base-Base interactions energy: -327.992
where: short stacking energy: -177.471
Base-Backbone interact. energy: -1.380
local terms energy: -368.446748
where:
bonds (distance) C4'-P energy: -105.637
bonds (distance) P-C4' energy: -104.630
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: 7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -571.381191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.381191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.381191 (E_RNA)
where:
Base-Base interactions energy: -261.051
where: short stacking energy: -180.126
Base-Backbone interact. energy: 0.901
local terms energy: -311.231144
where:
bonds (distance) C4'-P energy: -94.441
bonds (distance) P-C4' energy: -88.654
flat angles C4'-P-C4' energy: -77.714
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2154.036041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.036041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.036041 (E_RNA)
where:
Base-Base interactions energy: -1486.431
where: short stacking energy: -617.311
Base-Backbone interact. energy: -3.972
local terms energy: -663.633291
where:
bonds (distance) C4'-P energy: -123.238
bonds (distance) P-C4' energy: -123.371
flat angles C4'-P-C4' energy: -144.523
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -184.310
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2074.003200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.003200 (E_RNA)
where:
Base-Base interactions energy: -1418.264
where: short stacking energy: -577.921
Base-Backbone interact. energy: -2.741
local terms energy: -652.997986
where:
bonds (distance) C4'-P energy: -120.825
bonds (distance) P-C4' energy: -123.563
flat angles C4'-P-C4' energy: -138.552
flat angles P-C4'-P energy: -88.782
tors. eta vs tors. theta energy: -181.276
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1916.311317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.311317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.311317 (E_RNA)
where:
Base-Base interactions energy: -1303.440
where: short stacking energy: -546.188
Base-Backbone interact. energy: -3.240
local terms energy: -609.631189
where:
bonds (distance) C4'-P energy: -121.013
bonds (distance) P-C4' energy: -118.062
flat angles C4'-P-C4' energy: -122.428
flat angles P-C4'-P energy: -79.570
tors. eta vs tors. theta energy: -168.557
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: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1771.383893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.383893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.383893 (E_RNA)
where:
Base-Base interactions energy: -1217.368
where: short stacking energy: -498.203
Base-Backbone interact. energy: -2.581
local terms energy: -551.435215
where:
bonds (distance) C4'-P energy: -101.554
bonds (distance) P-C4' energy: -103.952
flat angles C4'-P-C4' energy: -124.302
flat angles P-C4'-P energy: -85.291
tors. eta vs tors. theta energy: -136.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1778.994801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.994801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.994801 (E_RNA)
where:
Base-Base interactions energy: -1217.591
where: short stacking energy: -506.164
Base-Backbone interact. energy: 0.101
local terms energy: -561.505285
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -96.388
flat angles C4'-P-C4' energy: -122.221
flat angles P-C4'-P energy: -73.936
tors. eta vs tors. theta energy: -159.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1507.083211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.083211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.083211 (E_RNA)
where:
Base-Base interactions energy: -1005.139
where: short stacking energy: -432.575
Base-Backbone interact. energy: -2.558
local terms energy: -499.386550
where:
bonds (distance) C4'-P energy: -109.214
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -107.633
flat angles P-C4'-P energy: -65.371
tors. eta vs tors. theta energy: -119.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1298.856495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.856495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.856495 (E_RNA)
where:
Base-Base interactions energy: -806.844
where: short stacking energy: -357.219
Base-Backbone interact. energy: -0.765
local terms energy: -491.247968
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -99.466
flat angles C4'-P-C4' energy: -114.415
flat angles P-C4'-P energy: -76.659
tors. eta vs tors. theta energy: -91.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -896.201243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.201243 (E_RNA)
where:
Base-Base interactions energy: -499.893
where: short stacking energy: -253.232
Base-Backbone interact. energy: -0.846
local terms energy: -395.462516
where:
bonds (distance) C4'-P energy: -98.107
bonds (distance) P-C4' energy: -103.266
flat angles C4'-P-C4' energy: -94.743
flat angles P-C4'-P energy: -63.213
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -651.484825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.484825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.484825 (E_RNA)
where:
Base-Base interactions energy: -313.481
where: short stacking energy: -188.781
Base-Backbone interact. energy: 1.140
local terms energy: -339.143570
where:
bonds (distance) C4'-P energy: -110.682
bonds (distance) P-C4' energy: -109.038
flat angles C4'-P-C4' energy: -76.269
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -564.208817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.208817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.208817 (E_RNA)
where:
Base-Base interactions energy: -242.407
where: short stacking energy: -157.212
Base-Backbone interact. energy: -2.037
local terms energy: -319.765589
where:
bonds (distance) C4'-P energy: -92.164
bonds (distance) P-C4' energy: -104.473
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2126.822069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.822069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.822069 (E_RNA)
where:
Base-Base interactions energy: -1467.728
where: short stacking energy: -608.816
Base-Backbone interact. energy: -2.977
local terms energy: -656.117981
where:
bonds (distance) C4'-P energy: -122.327
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -139.183
flat angles P-C4'-P energy: -84.428
tors. eta vs tors. theta energy: -193.599
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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2072.125691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.125691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.125691 (E_RNA)
where:
Base-Base interactions energy: -1439.878
where: short stacking energy: -575.624
Base-Backbone interact. energy: -0.112
local terms energy: -632.135685
where:
bonds (distance) C4'-P energy: -120.526
bonds (distance) P-C4' energy: -116.981
flat angles C4'-P-C4' energy: -126.516
flat angles P-C4'-P energy: -91.072
tors. eta vs tors. theta energy: -177.041
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: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1905.946953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.946953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.946953 (E_RNA)
where:
Base-Base interactions energy: -1271.861
where: short stacking energy: -546.342
Base-Backbone interact. energy: 2.096
local terms energy: -636.181798
where:
bonds (distance) C4'-P energy: -97.817
bonds (distance) P-C4' energy: -128.937
flat angles C4'-P-C4' energy: -139.597
flat angles P-C4'-P energy: -97.081
tors. eta vs tors. theta energy: -172.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1762.040398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.040398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.040398 (E_RNA)
where:
Base-Base interactions energy: -1192.659
where: short stacking energy: -506.098
Base-Backbone interact. energy: -2.645
local terms energy: -566.735761
where:
bonds (distance) C4'-P energy: -107.948
bonds (distance) P-C4' energy: -121.379
flat angles C4'-P-C4' energy: -115.555
flat angles P-C4'-P energy: -74.446
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: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1765.034829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.034829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.034829 (E_RNA)
where:
Base-Base interactions energy: -1180.554
where: short stacking energy: -472.240
Base-Backbone interact. energy: -3.265
local terms energy: -581.215698
where:
bonds (distance) C4'-P energy: -112.203
bonds (distance) P-C4' energy: -111.816
flat angles C4'-P-C4' energy: -118.905
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -153.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1519.851664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.851664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.851664 (E_RNA)
where:
Base-Base interactions energy: -991.256
where: short stacking energy: -424.346
Base-Backbone interact. energy: 3.155
local terms energy: -531.750643
where:
bonds (distance) C4'-P energy: -113.557
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -123.493
flat angles P-C4'-P energy: -68.688
tors. eta vs tors. theta energy: -111.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1317.350421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.350421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.350421 (E_RNA)
where:
Base-Base interactions energy: -838.143
where: short stacking energy: -352.327
Base-Backbone interact. energy: -1.987
local terms energy: -477.220579
where:
bonds (distance) C4'-P energy: -112.962
bonds (distance) P-C4' energy: -112.642
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -70.988
tors. eta vs tors. theta energy: -79.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -892.703858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.703858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.703858 (E_RNA)
where:
Base-Base interactions energy: -462.489
where: short stacking energy: -253.468
Base-Backbone interact. energy: -1.615
local terms energy: -428.599667
where:
bonds (distance) C4'-P energy: -95.066
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -102.012
flat angles P-C4'-P energy: -58.406
tors. eta vs tors. theta energy: -53.934
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: 290
Temperature: 1.300000
Total energy: -639.742066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.742066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.742066 (E_RNA)
where:
Base-Base interactions energy: -287.256
where: short stacking energy: -197.854
Base-Backbone interact. energy: -0.911
local terms energy: -351.574953
where:
bonds (distance) C4'-P energy: -91.852
bonds (distance) P-C4' energy: -109.678
flat angles C4'-P-C4' energy: -96.702
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -577.111050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.111050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.111050 (E_RNA)
where:
Base-Base interactions energy: -250.708
where: short stacking energy: -163.223
Base-Backbone interact. energy: 0.199
local terms energy: -326.601673
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -100.763
flat angles C4'-P-C4' energy: -93.527
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2151.561452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.561452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.561452 (E_RNA)
where:
Base-Base interactions energy: -1511.638
where: short stacking energy: -633.824
Base-Backbone interact. energy: -3.242
local terms energy: -636.681845
where:
bonds (distance) C4'-P energy: -101.558
bonds (distance) P-C4' energy: -115.341
flat angles C4'-P-C4' energy: -135.118
flat angles P-C4'-P energy: -94.765
tors. eta vs tors. theta energy: -189.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2096.308090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.308090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.308090 (E_RNA)
where:
Base-Base interactions energy: -1447.743
where: short stacking energy: -594.625
Base-Backbone interact. energy: -0.499
local terms energy: -648.066392
where:
bonds (distance) C4'-P energy: -132.216
bonds (distance) P-C4' energy: -110.526
flat angles C4'-P-C4' energy: -129.368
flat angles P-C4'-P energy: -90.199
tors. eta vs tors. theta energy: -185.758
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: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1925.611631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.611631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.611631 (E_RNA)
where:
Base-Base interactions energy: -1279.346
where: short stacking energy: -553.001
Base-Backbone interact. energy: -3.521
local terms energy: -642.744309
where:
bonds (distance) C4'-P energy: -115.695
bonds (distance) P-C4' energy: -119.853
flat angles C4'-P-C4' energy: -144.331
flat angles P-C4'-P energy: -91.419
tors. eta vs tors. theta energy: -171.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1883.646986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.646986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.646986 (E_RNA)
where:
Base-Base interactions energy: -1285.082
where: short stacking energy: -521.317
Base-Backbone interact. energy: -1.698
local terms energy: -596.866342
where:
bonds (distance) C4'-P energy: -109.680
bonds (distance) P-C4' energy: -117.324
flat angles C4'-P-C4' energy: -132.638
flat angles P-C4'-P energy: -65.983
tors. eta vs tors. theta energy: -171.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1719.140531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.140531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.140531 (E_RNA)
where:
Base-Base interactions energy: -1169.754
where: short stacking energy: -488.343
Base-Backbone interact. energy: -1.666
local terms energy: -547.721280
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -104.347
flat angles C4'-P-C4' energy: -109.094
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -135.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1484.468836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.468836 (E_RNA)
where:
Base-Base interactions energy: -983.081
where: short stacking energy: -407.976
Base-Backbone interact. energy: -3.403
local terms energy: -497.985653
where:
bonds (distance) C4'-P energy: -96.806
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -100.503
flat angles P-C4'-P energy: -75.951
tors. eta vs tors. theta energy: -105.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1244.386511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.386511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.386511 (E_RNA)
where:
Base-Base interactions energy: -832.769
where: short stacking energy: -367.342
Base-Backbone interact. energy: 5.094
local terms energy: -416.711192
where:
bonds (distance) C4'-P energy: -79.175
bonds (distance) P-C4' energy: -81.384
flat angles C4'-P-C4' energy: -107.411
flat angles P-C4'-P energy: -64.584
tors. eta vs tors. theta energy: -84.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -870.355358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.355358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.355358 (E_RNA)
where:
Base-Base interactions energy: -486.223
where: short stacking energy: -243.464
Base-Backbone interact. energy: -1.942
local terms energy: -382.190102
where:
bonds (distance) C4'-P energy: -93.040
bonds (distance) P-C4' energy: -98.414
flat angles C4'-P-C4' energy: -96.164
flat angles P-C4'-P energy: -56.753
tors. eta vs tors. theta energy: -37.819
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: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -620.525781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.525781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.525781 (E_RNA)
where:
Base-Base interactions energy: -282.758
where: short stacking energy: -187.387
Base-Backbone interact. energy: 1.565
local terms energy: -339.332459
where:
bonds (distance) C4'-P energy: -92.992
bonds (distance) P-C4' energy: -88.572
flat angles C4'-P-C4' energy: -97.995
flat angles P-C4'-P energy: -53.295
tors. eta vs tors. theta energy: -6.478
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: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -562.141369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.141369 (E_RNA)
where:
Base-Base interactions energy: -244.861
where: short stacking energy: -167.506
Base-Backbone interact. energy: 0.624
local terms energy: -317.904879
where:
bonds (distance) C4'-P energy: -95.281
bonds (distance) P-C4' energy: -110.742
flat angles C4'-P-C4' energy: -84.650
flat angles P-C4'-P energy: -34.722
tors. eta vs tors. theta energy: 7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2164.065583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.065583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.065583 (E_RNA)
where:
Base-Base interactions energy: -1516.738
where: short stacking energy: -611.816
Base-Backbone interact. energy: -3.287
local terms energy: -644.040502
where:
bonds (distance) C4'-P energy: -114.808
bonds (distance) P-C4' energy: -111.825
flat angles C4'-P-C4' energy: -142.508
flat angles P-C4'-P energy: -95.485
tors. eta vs tors. theta energy: -179.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2102.310397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.310397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.310397 (E_RNA)
where:
Base-Base interactions energy: -1441.713
where: short stacking energy: -608.591
Base-Backbone interact. energy: -2.143
local terms energy: -658.453462
where:
bonds (distance) C4'-P energy: -120.984
bonds (distance) P-C4' energy: -116.398
flat angles C4'-P-C4' energy: -138.235
flat angles P-C4'-P energy: -99.850
tors. eta vs tors. theta energy: -182.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1929.358641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.358641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.358641 (E_RNA)
where:
Base-Base interactions energy: -1321.952
where: short stacking energy: -532.931
Base-Backbone interact. energy: -1.610
local terms energy: -605.796543
where:
bonds (distance) C4'-P energy: -117.991
bonds (distance) P-C4' energy: -118.529
flat angles C4'-P-C4' energy: -123.902
flat angles P-C4'-P energy: -94.282
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1869.733738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.733738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.733738 (E_RNA)
where:
Base-Base interactions energy: -1279.988
where: short stacking energy: -528.044
Base-Backbone interact. energy: 0.147
local terms energy: -589.892356
where:
bonds (distance) C4'-P energy: -106.294
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -156.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1742.511329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.511329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.511329 (E_RNA)
where:
Base-Base interactions energy: -1206.051
where: short stacking energy: -517.456
Base-Backbone interact. energy: 0.428
local terms energy: -536.888734
where:
bonds (distance) C4'-P energy: -94.966
bonds (distance) P-C4' energy: -105.306
flat angles C4'-P-C4' energy: -122.736
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -139.978
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: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1404.513280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.513280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.513280 (E_RNA)
where:
Base-Base interactions energy: -899.627
where: short stacking energy: -401.076
Base-Backbone interact. energy: 4.626
local terms energy: -509.512474
where:
bonds (distance) C4'-P energy: -114.659
bonds (distance) P-C4' energy: -103.655
flat angles C4'-P-C4' energy: -106.390
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -91.791
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: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1263.184804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.184804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.184804 (E_RNA)
where:
Base-Base interactions energy: -807.150
where: short stacking energy: -355.118
Base-Backbone interact. energy: -2.727
local terms energy: -453.307859
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -99.064
flat angles C4'-P-C4' energy: -113.571
flat angles P-C4'-P energy: -67.191
tors. eta vs tors. theta energy: -70.594
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: 292
Temperature: 1.250000
Total energy: -899.289539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.289539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.289539 (E_RNA)
where:
Base-Base interactions energy: -490.258
where: short stacking energy: -246.344
Base-Backbone interact. energy: -3.269
local terms energy: -405.763027
where:
bonds (distance) C4'-P energy: -93.127
bonds (distance) P-C4' energy: -120.396
flat angles C4'-P-C4' energy: -101.040
flat angles P-C4'-P energy: -58.983
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -626.463536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.463536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.463536 (E_RNA)
where:
Base-Base interactions energy: -272.277
where: short stacking energy: -178.950
Base-Backbone interact. energy: -2.188
local terms energy: -351.998809
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -92.963
flat angles C4'-P-C4' energy: -108.576
flat angles P-C4'-P energy: -58.598
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: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -564.833811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.833811 (E_RNA)
where:
Base-Base interactions energy: -258.387
where: short stacking energy: -170.752
Base-Backbone interact. energy: 0.593
local terms energy: -307.039165
where:
bonds (distance) C4'-P energy: -96.583
bonds (distance) P-C4' energy: -105.523
flat angles C4'-P-C4' energy: -77.187
flat angles P-C4'-P energy: -40.871
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: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2123.177480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.177480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.177480 (E_RNA)
where:
Base-Base interactions energy: -1453.856
where: short stacking energy: -609.838
Base-Backbone interact. energy: -1.374
local terms energy: -667.947245
where:
bonds (distance) C4'-P energy: -112.058
bonds (distance) P-C4' energy: -127.442
flat angles C4'-P-C4' energy: -143.077
flat angles P-C4'-P energy: -100.281
tors. eta vs tors. theta energy: -185.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2087.328974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.328974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.328974 (E_RNA)
where:
Base-Base interactions energy: -1444.399
where: short stacking energy: -611.934
Base-Backbone interact. energy: 1.197
local terms energy: -644.126470
where:
bonds (distance) C4'-P energy: -125.387
bonds (distance) P-C4' energy: -113.537
flat angles C4'-P-C4' energy: -130.884
flat angles P-C4'-P energy: -90.322
tors. eta vs tors. theta energy: -183.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1949.317861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.317861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.317861 (E_RNA)
where:
Base-Base interactions energy: -1347.196
where: short stacking energy: -552.991
Base-Backbone interact. energy: 4.913
local terms energy: -607.034559
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -119.540
flat angles C4'-P-C4' energy: -127.875
flat angles P-C4'-P energy: -83.989
tors. eta vs tors. theta energy: -161.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1891.121085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.121085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.121085 (E_RNA)
where:
Base-Base interactions energy: -1254.292
where: short stacking energy: -537.137
Base-Backbone interact. energy: 5.216
local terms energy: -642.045337
where:
bonds (distance) C4'-P energy: -108.870
bonds (distance) P-C4' energy: -130.548
flat angles C4'-P-C4' energy: -135.349
flat angles P-C4'-P energy: -90.366
tors. eta vs tors. theta energy: -176.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1718.174998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.174998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.174998 (E_RNA)
where:
Base-Base interactions energy: -1163.946
where: short stacking energy: -486.866
Base-Backbone interact. energy: -3.828
local terms energy: -550.400967
where:
bonds (distance) C4'-P energy: -105.482
bonds (distance) P-C4' energy: -111.381
flat angles C4'-P-C4' energy: -117.305
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -143.642
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: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1459.037297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.037297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.037297 (E_RNA)
where:
Base-Base interactions energy: -965.285
where: short stacking energy: -416.691
Base-Backbone interact. energy: 1.348
local terms energy: -495.100186
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -99.208
flat angles C4'-P-C4' energy: -115.077
flat angles P-C4'-P energy: -78.012
tors. eta vs tors. theta energy: -112.701
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: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1241.430447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.430447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.430447 (E_RNA)
where:
Base-Base interactions energy: -803.554
where: short stacking energy: -370.858
Base-Backbone interact. energy: -1.428
local terms energy: -436.449018
where:
bonds (distance) C4'-P energy: -102.306
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -92.601
flat angles P-C4'-P energy: -58.514
tors. eta vs tors. theta energy: -82.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -894.475249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.475249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.475249 (E_RNA)
where:
Base-Base interactions energy: -510.992
where: short stacking energy: -253.108
Base-Backbone interact. energy: -0.752
local terms energy: -382.730642
where:
bonds (distance) C4'-P energy: -112.945
bonds (distance) P-C4' energy: -88.630
flat angles C4'-P-C4' energy: -93.961
flat angles P-C4'-P energy: -64.789
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -658.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.574946 (E_RNA)
where:
Base-Base interactions energy: -308.541
where: short stacking energy: -177.957
Base-Backbone interact. energy: -5.488
local terms energy: -344.546293
where:
bonds (distance) C4'-P energy: -96.493
bonds (distance) P-C4' energy: -91.798
flat angles C4'-P-C4' energy: -87.723
flat angles P-C4'-P energy: -60.071
tors. eta vs tors. theta energy: -8.461
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: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -541.752510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.752510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.752510 (E_RNA)
where:
Base-Base interactions energy: -263.535
where: short stacking energy: -128.489
Base-Backbone interact. energy: 2.845
local terms energy: -281.062570
where:
bonds (distance) C4'-P energy: -87.396
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -76.114
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: 24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2131.488214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.488214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.488214 (E_RNA)
where:
Base-Base interactions energy: -1485.745
where: short stacking energy: -598.831
Base-Backbone interact. energy: -1.672
local terms energy: -644.071796
where:
bonds (distance) C4'-P energy: -121.641
bonds (distance) P-C4' energy: -128.217
flat angles C4'-P-C4' energy: -143.196
flat angles P-C4'-P energy: -78.694
tors. eta vs tors. theta energy: -172.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2078.699069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.699069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.699069 (E_RNA)
where:
Base-Base interactions energy: -1443.695
where: short stacking energy: -598.693
Base-Backbone interact. energy: -2.689
local terms energy: -632.315391
where:
bonds (distance) C4'-P energy: -115.107
bonds (distance) P-C4' energy: -110.979
flat angles C4'-P-C4' energy: -136.702
flat angles P-C4'-P energy: -87.948
tors. eta vs tors. theta energy: -181.579
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: 294
Temperature: 1.000000
Total energy: -1902.695058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.695058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.695058 (E_RNA)
where:
Base-Base interactions energy: -1314.698
where: short stacking energy: -513.792
Base-Backbone interact. energy: 0.125
local terms energy: -588.122527
where:
bonds (distance) C4'-P energy: -111.357
bonds (distance) P-C4' energy: -120.529
flat angles C4'-P-C4' energy: -125.841
flat angles P-C4'-P energy: -82.490
tors. eta vs tors. theta energy: -147.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1857.991482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.991482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.991482 (E_RNA)
where:
Base-Base interactions energy: -1242.443
where: short stacking energy: -531.835
Base-Backbone interact. energy: -0.943
local terms energy: -614.605448
where:
bonds (distance) C4'-P energy: -117.139
bonds (distance) P-C4' energy: -119.783
flat angles C4'-P-C4' energy: -131.312
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -167.438
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1779.665248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.665248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.665248 (E_RNA)
where:
Base-Base interactions energy: -1227.570
where: short stacking energy: -504.306
Base-Backbone interact. energy: -3.428
local terms energy: -548.667402
where:
bonds (distance) C4'-P energy: -107.486
bonds (distance) P-C4' energy: -119.993
flat angles C4'-P-C4' energy: -106.998
flat angles P-C4'-P energy: -63.798
tors. eta vs tors. theta energy: -150.391
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1452.807357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.807357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.807357 (E_RNA)
where:
Base-Base interactions energy: -933.799
where: short stacking energy: -393.208
Base-Backbone interact. energy: -5.049
local terms energy: -513.959016
where:
bonds (distance) C4'-P energy: -106.097
bonds (distance) P-C4' energy: -97.187
flat angles C4'-P-C4' energy: -114.142
flat angles P-C4'-P energy: -85.176
tors. eta vs tors. theta energy: -111.358
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: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1194.513093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.513093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.513093 (E_RNA)
where:
Base-Base interactions energy: -741.807
where: short stacking energy: -310.031
Base-Backbone interact. energy: -1.883
local terms energy: -450.822854
where:
bonds (distance) C4'-P energy: -114.953
bonds (distance) P-C4' energy: -106.398
flat angles C4'-P-C4' energy: -102.091
flat angles P-C4'-P energy: -70.527
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: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -904.342944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.342944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.342944 (E_RNA)
where:
Base-Base interactions energy: -523.385
where: short stacking energy: -232.447
Base-Backbone interact. energy: 0.283
local terms energy: -381.241742
where:
bonds (distance) C4'-P energy: -87.318
bonds (distance) P-C4' energy: -100.233
flat angles C4'-P-C4' energy: -110.592
flat angles P-C4'-P energy: -68.735
tors. eta vs tors. theta energy: -14.364
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: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -683.945057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.945057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.945057 (E_RNA)
where:
Base-Base interactions energy: -334.134
where: short stacking energy: -189.808
Base-Backbone interact. energy: -0.802
local terms energy: -349.009576
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -112.364
flat angles C4'-P-C4' energy: -87.899
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: 0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -526.843153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.843153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.843153 (E_RNA)
where:
Base-Base interactions energy: -190.780
where: short stacking energy: -135.157
Base-Backbone interact. energy: -4.663
local terms energy: -331.400293
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -88.716
flat angles C4'-P-C4' energy: -85.128
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: 14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2152.584467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.584467 (E_RNA)
where:
Base-Base interactions energy: -1478.378
where: short stacking energy: -596.516
Base-Backbone interact. energy: -4.339
local terms energy: -669.868182
where:
bonds (distance) C4'-P energy: -122.650
bonds (distance) P-C4' energy: -123.102
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -97.747
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: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2063.809599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.809599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.809599 (E_RNA)
where:
Base-Base interactions energy: -1410.575
where: short stacking energy: -591.531
Base-Backbone interact. energy: -2.646
local terms energy: -650.588017
where:
bonds (distance) C4'-P energy: -120.032
bonds (distance) P-C4' energy: -122.664
flat angles C4'-P-C4' energy: -143.993
flat angles P-C4'-P energy: -85.039
tors. eta vs tors. theta energy: -178.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1932.386458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.386458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.386458 (E_RNA)
where:
Base-Base interactions energy: -1306.767
where: short stacking energy: -561.697
Base-Backbone interact. energy: -4.991
local terms energy: -620.629277
where:
bonds (distance) C4'-P energy: -110.332
bonds (distance) P-C4' energy: -120.906
flat angles C4'-P-C4' energy: -130.174
flat angles P-C4'-P energy: -79.413
tors. eta vs tors. theta energy: -179.803
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: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1829.183953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.183953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.183953 (E_RNA)
where:
Base-Base interactions energy: -1219.539
where: short stacking energy: -524.412
Base-Backbone interact. energy: -1.126
local terms energy: -608.519231
where:
bonds (distance) C4'-P energy: -108.145
bonds (distance) P-C4' energy: -132.306
flat angles C4'-P-C4' energy: -130.082
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -167.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1753.715221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.715221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.715221 (E_RNA)
where:
Base-Base interactions energy: -1182.276
where: short stacking energy: -476.763
Base-Backbone interact. energy: -2.827
local terms energy: -568.611662
where:
bonds (distance) C4'-P energy: -116.800
bonds (distance) P-C4' energy: -118.909
flat angles C4'-P-C4' energy: -119.059
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -131.530
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1532.277376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.277376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.277376 (E_RNA)
where:
Base-Base interactions energy: -977.384
where: short stacking energy: -459.539
Base-Backbone interact. energy: -1.699
local terms energy: -553.194357
where:
bonds (distance) C4'-P energy: -120.531
bonds (distance) P-C4' energy: -104.891
flat angles C4'-P-C4' energy: -140.490
flat angles P-C4'-P energy: -66.878
tors. eta vs tors. theta energy: -120.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1140.063021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.063021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.063021 (E_RNA)
where:
Base-Base interactions energy: -723.298
where: short stacking energy: -295.316
Base-Backbone interact. energy: -0.605
local terms energy: -416.160530
where:
bonds (distance) C4'-P energy: -94.595
bonds (distance) P-C4' energy: -102.313
flat angles C4'-P-C4' energy: -117.965
flat angles P-C4'-P energy: -63.216
tors. eta vs tors. theta energy: -38.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -860.233192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.233192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.233192 (E_RNA)
where:
Base-Base interactions energy: -473.784
where: short stacking energy: -217.155
Base-Backbone interact. energy: -4.009
local terms energy: -382.440153
where:
bonds (distance) C4'-P energy: -106.312
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -94.746
flat angles P-C4'-P energy: -53.136
tors. eta vs tors. theta energy: -27.271
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: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -627.341635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.341635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.341635 (E_RNA)
where:
Base-Base interactions energy: -285.719
where: short stacking energy: -187.855
Base-Backbone interact. energy: -1.789
local terms energy: -339.833819
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -98.514
flat angles C4'-P-C4' energy: -96.040
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -500.193605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.193605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.193605 (E_RNA)
where:
Base-Base interactions energy: -203.208
where: short stacking energy: -135.064
Base-Backbone interact. energy: -3.088
local terms energy: -293.897477
where:
bonds (distance) C4'-P energy: -101.566
bonds (distance) P-C4' energy: -112.677
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -35.000
tors. eta vs tors. theta energy: 33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2146.783756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.783756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.783756 (E_RNA)
where:
Base-Base interactions energy: -1482.366
where: short stacking energy: -618.455
Base-Backbone interact. energy: -1.794
local terms energy: -662.623823
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -127.421
flat angles C4'-P-C4' energy: -141.884
flat angles P-C4'-P energy: -93.169
tors. eta vs tors. theta energy: -186.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2057.747034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.747034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.747034 (E_RNA)
where:
Base-Base interactions energy: -1434.760
where: short stacking energy: -585.486
Base-Backbone interact. energy: -5.425
local terms energy: -617.561859
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -112.233
flat angles C4'-P-C4' energy: -127.680
flat angles P-C4'-P energy: -84.544
tors. eta vs tors. theta energy: -186.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1930.213960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.213960 (E_RNA)
where:
Base-Base interactions energy: -1331.149
where: short stacking energy: -549.866
Base-Backbone interact. energy: -3.303
local terms energy: -595.762281
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -99.647
flat angles C4'-P-C4' energy: -139.705
flat angles P-C4'-P energy: -83.450
tors. eta vs tors. theta energy: -166.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1822.739909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.739909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.739909 (E_RNA)
where:
Base-Base interactions energy: -1219.868
where: short stacking energy: -509.057
Base-Backbone interact. energy: -1.354
local terms energy: -601.517459
where:
bonds (distance) C4'-P energy: -116.724
bonds (distance) P-C4' energy: -124.647
flat angles C4'-P-C4' energy: -128.356
flat angles P-C4'-P energy: -77.327
tors. eta vs tors. theta energy: -154.464
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: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1585.949851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.949851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.949851 (E_RNA)
where:
Base-Base interactions energy: -1034.293
where: short stacking energy: -449.595
Base-Backbone interact. energy: -0.195
local terms energy: -551.462680
where:
bonds (distance) C4'-P energy: -94.609
bonds (distance) P-C4' energy: -128.231
flat angles C4'-P-C4' energy: -128.352
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -122.688
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1673.602356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.602356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.602356 (E_RNA)
where:
Base-Base interactions energy: -1124.041
where: short stacking energy: -478.492
Base-Backbone interact. energy: -2.960
local terms energy: -546.601149
where:
bonds (distance) C4'-P energy: -108.421
bonds (distance) P-C4' energy: -100.027
flat angles C4'-P-C4' energy: -119.705
flat angles P-C4'-P energy: -72.849
tors. eta vs tors. theta energy: -145.599
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1183.232851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.232851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.232851 (E_RNA)
where:
Base-Base interactions energy: -749.123
where: short stacking energy: -336.977
Base-Backbone interact. energy: 4.023
local terms energy: -438.133153
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -107.763
flat angles C4'-P-C4' energy: -116.188
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -57.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -876.510755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.510755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.510755 (E_RNA)
where:
Base-Base interactions energy: -494.070
where: short stacking energy: -269.814
Base-Backbone interact. energy: -0.788
local terms energy: -381.652899
where:
bonds (distance) C4'-P energy: -98.786
bonds (distance) P-C4' energy: -93.089
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -50.490
tors. eta vs tors. theta energy: -44.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -662.133074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.133074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.133074 (E_RNA)
where:
Base-Base interactions energy: -301.219
where: short stacking energy: -182.880
Base-Backbone interact. energy: 0.091
local terms energy: -361.005553
where:
bonds (distance) C4'-P energy: -110.332
bonds (distance) P-C4' energy: -107.111
flat angles C4'-P-C4' energy: -91.859
flat angles P-C4'-P energy: -52.045
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -438.198447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.198447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.198447 (E_RNA)
where:
Base-Base interactions energy: -128.210
where: short stacking energy: -107.362
Base-Backbone interact. energy: -2.756
local terms energy: -307.232663
where:
bonds (distance) C4'-P energy: -94.771
bonds (distance) P-C4' energy: -95.248
flat angles C4'-P-C4' energy: -93.666
flat angles P-C4'-P energy: -43.202
tors. eta vs tors. theta energy: 19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2134.984519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.984519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.984519 (E_RNA)
where:
Base-Base interactions energy: -1484.308
where: short stacking energy: -599.363
Base-Backbone interact. energy: -3.562
local terms energy: -647.114597
where:
bonds (distance) C4'-P energy: -117.482
bonds (distance) P-C4' energy: -135.234
flat angles C4'-P-C4' energy: -134.764
flat angles P-C4'-P energy: -82.237
tors. eta vs tors. theta energy: -177.397
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: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2073.154399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.154399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.154399 (E_RNA)
where:
Base-Base interactions energy: -1461.442
where: short stacking energy: -609.799
Base-Backbone interact. energy: -1.925
local terms energy: -609.787543
where:
bonds (distance) C4'-P energy: -101.503
bonds (distance) P-C4' energy: -99.945
flat angles C4'-P-C4' energy: -137.268
flat angles P-C4'-P energy: -94.812
tors. eta vs tors. theta energy: -176.260
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1942.972362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.972362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.972362 (E_RNA)
where:
Base-Base interactions energy: -1326.090
where: short stacking energy: -542.842
Base-Backbone interact. energy: -1.858
local terms energy: -615.023607
where:
bonds (distance) C4'-P energy: -104.368
bonds (distance) P-C4' energy: -116.371
flat angles C4'-P-C4' energy: -130.159
flat angles P-C4'-P energy: -91.318
tors. eta vs tors. theta energy: -172.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1879.516755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.516755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.516755 (E_RNA)
where:
Base-Base interactions energy: -1292.134
where: short stacking energy: -575.941
Base-Backbone interact. energy: -1.890
local terms energy: -585.492562
where:
bonds (distance) C4'-P energy: -96.058
bonds (distance) P-C4' energy: -108.143
flat angles C4'-P-C4' energy: -120.852
flat angles P-C4'-P energy: -79.609
tors. eta vs tors. theta energy: -180.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1583.058136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.058136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.058136 (E_RNA)
where:
Base-Base interactions energy: -1051.072
where: short stacking energy: -468.981
Base-Backbone interact. energy: -2.033
local terms energy: -529.952609
where:
bonds (distance) C4'-P energy: -110.855
bonds (distance) P-C4' energy: -109.225
flat angles C4'-P-C4' energy: -114.105
flat angles P-C4'-P energy: -62.526
tors. eta vs tors. theta energy: -133.242
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1662.098365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.098365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.098365 (E_RNA)
where:
Base-Base interactions energy: -1098.538
where: short stacking energy: -457.205
Base-Backbone interact. energy: 2.281
local terms energy: -565.841995
where:
bonds (distance) C4'-P energy: -111.714
bonds (distance) P-C4' energy: -104.647
flat angles C4'-P-C4' energy: -125.144
flat angles P-C4'-P energy: -89.901
tors. eta vs tors. theta energy: -134.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1268.621531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.621531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.621531 (E_RNA)
where:
Base-Base interactions energy: -788.534
where: short stacking energy: -339.618
Base-Backbone interact. energy: -2.826
local terms energy: -477.261814
where:
bonds (distance) C4'-P energy: -118.558
bonds (distance) P-C4' energy: -110.429
flat angles C4'-P-C4' energy: -111.963
flat angles P-C4'-P energy: -63.538
tors. eta vs tors. theta energy: -72.774
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -876.369229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.369229 (E_RNA)
where:
Base-Base interactions energy: -469.853
where: short stacking energy: -242.045
Base-Backbone interact. energy: -0.435
local terms energy: -406.080397
where:
bonds (distance) C4'-P energy: -71.830
bonds (distance) P-C4' energy: -122.477
flat angles C4'-P-C4' energy: -110.574
flat angles P-C4'-P energy: -69.952
tors. eta vs tors. theta energy: -31.247
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: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -631.664226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.664226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.664226 (E_RNA)
where:
Base-Base interactions energy: -303.053
where: short stacking energy: -211.086
Base-Backbone interact. energy: -0.679
local terms energy: -327.931768
where:
bonds (distance) C4'-P energy: -102.283
bonds (distance) P-C4' energy: -101.733
flat angles C4'-P-C4' energy: -81.748
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -1.701
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -449.265728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.265728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.265728 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -113.521
Base-Backbone interact. energy: -2.262
local terms energy: -318.301979
where:
bonds (distance) C4'-P energy: -97.812
bonds (distance) P-C4' energy: -110.468
flat angles C4'-P-C4' energy: -83.826
flat angles P-C4'-P energy: -44.240
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: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2108.143901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.143901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.143901 (E_RNA)
where:
Base-Base interactions energy: -1447.330
where: short stacking energy: -583.296
Base-Backbone interact. energy: 1.250
local terms energy: -662.064168
where:
bonds (distance) C4'-P energy: -126.948
bonds (distance) P-C4' energy: -125.461
flat angles C4'-P-C4' energy: -133.853
flat angles P-C4'-P energy: -96.322
tors. eta vs tors. theta energy: -179.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2050.038228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.038228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.038228 (E_RNA)
where:
Base-Base interactions energy: -1389.902
where: short stacking energy: -593.272
Base-Backbone interact. energy: -3.827
local terms energy: -656.308475
where:
bonds (distance) C4'-P energy: -120.129
bonds (distance) P-C4' energy: -113.633
flat angles C4'-P-C4' energy: -134.510
flat angles P-C4'-P energy: -102.225
tors. eta vs tors. theta energy: -185.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1910.479439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.479439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.479439 (E_RNA)
where:
Base-Base interactions energy: -1286.930
where: short stacking energy: -548.207
Base-Backbone interact. energy: -3.713
local terms energy: -619.836384
where:
bonds (distance) C4'-P energy: -113.751
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -130.237
flat angles P-C4'-P energy: -101.407
tors. eta vs tors. theta energy: -161.015
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: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1864.007774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.007774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.007774 (E_RNA)
where:
Base-Base interactions energy: -1255.630
where: short stacking energy: -552.588
Base-Backbone interact. energy: 0.308
local terms energy: -608.686013
where:
bonds (distance) C4'-P energy: -109.596
bonds (distance) P-C4' energy: -112.455
flat angles C4'-P-C4' energy: -129.526
flat angles P-C4'-P energy: -89.494
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1707.002530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.002530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.002530 (E_RNA)
where:
Base-Base interactions energy: -1171.289
where: short stacking energy: -481.787
Base-Backbone interact. energy: -0.870
local terms energy: -534.843786
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -98.294
flat angles C4'-P-C4' energy: -125.945
flat angles P-C4'-P energy: -70.367
tors. eta vs tors. theta energy: -136.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1551.155735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.155735 (E_RNA)
where:
Base-Base interactions energy: -983.576
where: short stacking energy: -452.926
Base-Backbone interact. energy: -1.769
local terms energy: -565.811087
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -118.614
flat angles P-C4'-P energy: -72.790
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: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1283.551057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.551057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.551057 (E_RNA)
where:
Base-Base interactions energy: -828.519
where: short stacking energy: -350.145
Base-Backbone interact. energy: 5.445
local terms energy: -460.476351
where:
bonds (distance) C4'-P energy: -106.104
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -111.807
flat angles P-C4'-P energy: -53.002
tors. eta vs tors. theta energy: -91.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -915.736126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.736126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.736126 (E_RNA)
where:
Base-Base interactions energy: -549.478
where: short stacking energy: -251.652
Base-Backbone interact. energy: 0.639
local terms energy: -366.897163
where:
bonds (distance) C4'-P energy: -100.656
bonds (distance) P-C4' energy: -105.981
flat angles C4'-P-C4' energy: -81.556
flat angles P-C4'-P energy: -68.525
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -642.751323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.751323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.751323 (E_RNA)
where:
Base-Base interactions energy: -277.792
where: short stacking energy: -170.634
Base-Backbone interact. energy: -0.400
local terms energy: -364.559519
where:
bonds (distance) C4'-P energy: -102.922
bonds (distance) P-C4' energy: -105.750
flat angles C4'-P-C4' energy: -90.595
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -512.606278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.606278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.606278 (E_RNA)
where:
Base-Base interactions energy: -199.014
where: short stacking energy: -165.668
Base-Backbone interact. energy: -4.056
local terms energy: -309.535798
where:
bonds (distance) C4'-P energy: -100.283
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: 5.123
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: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2157.330035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.330035 (E_RNA)
where:
Base-Base interactions energy: -1501.787
where: short stacking energy: -606.101
Base-Backbone interact. energy: -3.053
local terms energy: -652.490048
where:
bonds (distance) C4'-P energy: -114.844
bonds (distance) P-C4' energy: -130.864
flat angles C4'-P-C4' energy: -130.166
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -181.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2055.004209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.004209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.004209 (E_RNA)
where:
Base-Base interactions energy: -1394.676
where: short stacking energy: -583.399
Base-Backbone interact. energy: 5.071
local terms energy: -665.398828
where:
bonds (distance) C4'-P energy: -115.715
bonds (distance) P-C4' energy: -134.590
flat angles C4'-P-C4' energy: -134.593
flat angles P-C4'-P energy: -93.091
tors. eta vs tors. theta energy: -187.410
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: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1926.126550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.126550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.126550 (E_RNA)
where:
Base-Base interactions energy: -1303.864
where: short stacking energy: -565.832
Base-Backbone interact. energy: 2.721
local terms energy: -624.984045
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -121.383
flat angles C4'-P-C4' energy: -128.274
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -171.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1880.012779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.012779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.012779 (E_RNA)
where:
Base-Base interactions energy: -1277.105
where: short stacking energy: -539.319
Base-Backbone interact. energy: -2.357
local terms energy: -600.550556
where:
bonds (distance) C4'-P energy: -107.945
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -135.225
flat angles P-C4'-P energy: -71.773
tors. eta vs tors. theta energy: -163.905
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: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1705.800439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.800439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.800439 (E_RNA)
where:
Base-Base interactions energy: -1170.176
where: short stacking energy: -461.096
Base-Backbone interact. energy: 0.235
local terms energy: -535.858571
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -117.409
flat angles C4'-P-C4' energy: -121.141
flat angles P-C4'-P energy: -65.501
tors. eta vs tors. theta energy: -127.143
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1509.665995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.665995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.665995 (E_RNA)
where:
Base-Base interactions energy: -963.914
where: short stacking energy: -438.769
Base-Backbone interact. energy: -2.401
local terms energy: -543.350915
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -114.635
flat angles C4'-P-C4' energy: -117.799
flat angles P-C4'-P energy: -71.308
tors. eta vs tors. theta energy: -128.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1274.884607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.884607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.884607 (E_RNA)
where:
Base-Base interactions energy: -836.292
where: short stacking energy: -322.343
Base-Backbone interact. energy: 1.966
local terms energy: -440.558213
where:
bonds (distance) C4'-P energy: -104.284
bonds (distance) P-C4' energy: -87.857
flat angles C4'-P-C4' energy: -101.533
flat angles P-C4'-P energy: -78.132
tors. eta vs tors. theta energy: -68.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -890.497323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.497323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.497323 (E_RNA)
where:
Base-Base interactions energy: -547.830
where: short stacking energy: -240.391
Base-Backbone interact. energy: 2.191
local terms energy: -344.857918
where:
bonds (distance) C4'-P energy: -105.041
bonds (distance) P-C4' energy: -98.321
flat angles C4'-P-C4' energy: -81.936
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -13.495
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -640.657001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.657001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.657001 (E_RNA)
where:
Base-Base interactions energy: -281.588
where: short stacking energy: -176.261
Base-Backbone interact. energy: 0.686
local terms energy: -359.755143
where:
bonds (distance) C4'-P energy: -105.433
bonds (distance) P-C4' energy: -102.795
flat angles C4'-P-C4' energy: -98.963
flat angles P-C4'-P energy: -53.670
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -481.894957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.894957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.894957 (E_RNA)
where:
Base-Base interactions energy: -159.561
where: short stacking energy: -127.592
Base-Backbone interact. energy: 2.062
local terms energy: -324.395439
where:
bonds (distance) C4'-P energy: -106.149
bonds (distance) P-C4' energy: -100.172
flat angles C4'-P-C4' energy: -88.442
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: 17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2139.542093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.542093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.542093 (E_RNA)
where:
Base-Base interactions energy: -1487.151
where: short stacking energy: -589.284
Base-Backbone interact. energy: -3.923
local terms energy: -648.468344
where:
bonds (distance) C4'-P energy: -135.708
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -128.748
flat angles P-C4'-P energy: -94.922
tors. eta vs tors. theta energy: -173.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2071.340405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.340405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.340405 (E_RNA)
where:
Base-Base interactions energy: -1422.739
where: short stacking energy: -611.936
Base-Backbone interact. energy: -3.434
local terms energy: -645.167181
where:
bonds (distance) C4'-P energy: -117.606
bonds (distance) P-C4' energy: -109.835
flat angles C4'-P-C4' energy: -139.723
flat angles P-C4'-P energy: -95.971
tors. eta vs tors. theta energy: -182.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1923.635922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.635922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.635922 (E_RNA)
where:
Base-Base interactions energy: -1295.829
where: short stacking energy: -534.151
Base-Backbone interact. energy: -4.127
local terms energy: -623.679317
where:
bonds (distance) C4'-P energy: -120.762
bonds (distance) P-C4' energy: -123.733
flat angles C4'-P-C4' energy: -129.883
flat angles P-C4'-P energy: -77.960
tors. eta vs tors. theta energy: -171.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1827.284337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.284337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.284337 (E_RNA)
where:
Base-Base interactions energy: -1238.619
where: short stacking energy: -525.518
Base-Backbone interact. energy: -1.837
local terms energy: -586.829124
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -127.697
flat angles P-C4'-P energy: -86.630
tors. eta vs tors. theta energy: -156.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1742.238793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.238793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.238793 (E_RNA)
where:
Base-Base interactions energy: -1174.959
where: short stacking energy: -486.838
Base-Backbone interact. energy: -0.581
local terms energy: -566.698819
where:
bonds (distance) C4'-P energy: -90.039
bonds (distance) P-C4' energy: -116.734
flat angles C4'-P-C4' energy: -134.691
flat angles P-C4'-P energy: -73.756
tors. eta vs tors. theta energy: -151.478
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: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1490.599382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.599382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.599382 (E_RNA)
where:
Base-Base interactions energy: -950.719
where: short stacking energy: -433.781
Base-Backbone interact. energy: -1.651
local terms energy: -538.229539
where:
bonds (distance) C4'-P energy: -106.858
bonds (distance) P-C4' energy: -127.442
flat angles C4'-P-C4' energy: -118.601
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: -123.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1306.482225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.482225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.482225 (E_RNA)
where:
Base-Base interactions energy: -850.380
where: short stacking energy: -360.395
Base-Backbone interact. energy: -4.680
local terms energy: -451.421606
where:
bonds (distance) C4'-P energy: -100.224
bonds (distance) P-C4' energy: -103.945
flat angles C4'-P-C4' energy: -100.886
flat angles P-C4'-P energy: -76.039
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -885.627300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.627300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.627300 (E_RNA)
where:
Base-Base interactions energy: -522.025
where: short stacking energy: -265.700
Base-Backbone interact. energy: 0.124
local terms energy: -363.725415
where:
bonds (distance) C4'-P energy: -101.259
bonds (distance) P-C4' energy: -94.329
flat angles C4'-P-C4' energy: -94.547
flat angles P-C4'-P energy: -42.381
tors. eta vs tors. theta energy: -31.210
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: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -599.416358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.416358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.416358 (E_RNA)
where:
Base-Base interactions energy: -266.840
where: short stacking energy: -180.937
Base-Backbone interact. energy: -0.318
local terms energy: -332.258551
where:
bonds (distance) C4'-P energy: -101.518
bonds (distance) P-C4' energy: -73.270
flat angles C4'-P-C4' energy: -104.837
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: 6.738
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: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -480.991912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.991912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.991912 (E_RNA)
where:
Base-Base interactions energy: -204.497
where: short stacking energy: -143.915
Base-Backbone interact. energy: 0.836
local terms energy: -277.331110
where:
bonds (distance) C4'-P energy: -80.082
bonds (distance) P-C4' energy: -99.439
flat angles C4'-P-C4' energy: -78.459
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: 23.999
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2137.363193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.363193 (E_RNA)
where:
Base-Base interactions energy: -1492.550
where: short stacking energy: -598.659
Base-Backbone interact. energy: 2.397
local terms energy: -647.210844
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -126.449
flat angles C4'-P-C4' energy: -143.539
flat angles P-C4'-P energy: -82.762
tors. eta vs tors. theta energy: -173.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2044.061903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.061903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.061903 (E_RNA)
where:
Base-Base interactions energy: -1412.301
where: short stacking energy: -579.071
Base-Backbone interact. energy: 3.467
local terms energy: -635.228339
where:
bonds (distance) C4'-P energy: -120.405
bonds (distance) P-C4' energy: -118.281
flat angles C4'-P-C4' energy: -131.209
flat angles P-C4'-P energy: -90.864
tors. eta vs tors. theta energy: -174.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1950.551969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.551969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.551969 (E_RNA)
where:
Base-Base interactions energy: -1333.512
where: short stacking energy: -540.407
Base-Backbone interact. energy: -0.702
local terms energy: -616.337885
where:
bonds (distance) C4'-P energy: -111.561
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -137.951
flat angles P-C4'-P energy: -72.929
tors. eta vs tors. theta energy: -174.841
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: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1811.698310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.698310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.698310 (E_RNA)
where:
Base-Base interactions energy: -1245.886
where: short stacking energy: -511.532
Base-Backbone interact. energy: -0.143
local terms energy: -565.669022
where:
bonds (distance) C4'-P energy: -104.156
bonds (distance) P-C4' energy: -117.035
flat angles C4'-P-C4' energy: -127.703
flat angles P-C4'-P energy: -72.728
tors. eta vs tors. theta energy: -144.047
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: 301
Temperature: 1.100000
Total energy: -1737.992399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.992399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.992399 (E_RNA)
where:
Base-Base interactions energy: -1168.929
where: short stacking energy: -469.997
Base-Backbone interact. energy: 0.240
local terms energy: -569.303080
where:
bonds (distance) C4'-P energy: -107.924
bonds (distance) P-C4' energy: -114.218
flat angles C4'-P-C4' energy: -128.763
flat angles P-C4'-P energy: -69.557
tors. eta vs tors. theta energy: -148.841
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1447.724608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.724608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.724608 (E_RNA)
where:
Base-Base interactions energy: -952.007
where: short stacking energy: -429.834
Base-Backbone interact. energy: 2.680
local terms energy: -498.397120
where:
bonds (distance) C4'-P energy: -107.399
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -97.086
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -111.505
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1292.024676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.024676 (E_RNA)
where:
Base-Base interactions energy: -846.633
where: short stacking energy: -363.299
Base-Backbone interact. energy: -0.999
local terms energy: -444.392686
where:
bonds (distance) C4'-P energy: -94.331
bonds (distance) P-C4' energy: -100.639
flat angles C4'-P-C4' energy: -117.240
flat angles P-C4'-P energy: -56.950
tors. eta vs tors. theta energy: -75.233
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -878.975207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.975207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.975207 (E_RNA)
where:
Base-Base interactions energy: -502.394
where: short stacking energy: -246.482
Base-Backbone interact. energy: -2.905
local terms energy: -373.675937
where:
bonds (distance) C4'-P energy: -97.308
bonds (distance) P-C4' energy: -107.385
flat angles C4'-P-C4' energy: -92.245
flat angles P-C4'-P energy: -58.606
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -599.882587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.882587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.882587 (E_RNA)
where:
Base-Base interactions energy: -265.817
where: short stacking energy: -193.514
Base-Backbone interact. energy: 0.453
local terms energy: -334.518795
where:
bonds (distance) C4'-P energy: -94.483
bonds (distance) P-C4' energy: -107.585
flat angles C4'-P-C4' energy: -81.534
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -4.429
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: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -455.191868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.191868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.191868 (E_RNA)
where:
Base-Base interactions energy: -132.951
where: short stacking energy: -106.845
Base-Backbone interact. energy: 0.343
local terms energy: -322.583629
where:
bonds (distance) C4'-P energy: -97.796
bonds (distance) P-C4' energy: -98.303
flat angles C4'-P-C4' energy: -94.277
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: 24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2131.344177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.344177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.344177 (E_RNA)
where:
Base-Base interactions energy: -1484.916
where: short stacking energy: -621.478
Base-Backbone interact. energy: -2.729
local terms energy: -643.699419
where:
bonds (distance) C4'-P energy: -117.258
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -145.975
flat angles P-C4'-P energy: -94.348
tors. eta vs tors. theta energy: -179.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2073.625224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.625224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.625224 (E_RNA)
where:
Base-Base interactions energy: -1434.900
where: short stacking energy: -603.111
Base-Backbone interact. energy: 0.340
local terms energy: -639.065825
where:
bonds (distance) C4'-P energy: -109.828
bonds (distance) P-C4' energy: -112.438
flat angles C4'-P-C4' energy: -149.811
flat angles P-C4'-P energy: -85.158
tors. eta vs tors. theta energy: -181.831
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: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1900.187097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.187097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.187097 (E_RNA)
where:
Base-Base interactions energy: -1282.701
where: short stacking energy: -519.895
Base-Backbone interact. energy: -2.130
local terms energy: -615.355777
where:
bonds (distance) C4'-P energy: -109.195
bonds (distance) P-C4' energy: -121.757
flat angles C4'-P-C4' energy: -130.529
flat angles P-C4'-P energy: -86.373
tors. eta vs tors. theta energy: -167.502
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: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1779.584409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.584409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.584409 (E_RNA)
where:
Base-Base interactions energy: -1228.371
where: short stacking energy: -494.259
Base-Backbone interact. energy: -0.477
local terms energy: -550.736571
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -118.484
flat angles C4'-P-C4' energy: -125.708
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -152.980
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1702.242111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.242111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.242111 (E_RNA)
where:
Base-Base interactions energy: -1144.791
where: short stacking energy: -503.352
Base-Backbone interact. energy: -3.006
local terms energy: -554.445054
where:
bonds (distance) C4'-P energy: -113.243
bonds (distance) P-C4' energy: -118.004
flat angles C4'-P-C4' energy: -114.724
flat angles P-C4'-P energy: -73.723
tors. eta vs tors. theta energy: -134.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1414.616839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.616839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.616839 (E_RNA)
where:
Base-Base interactions energy: -912.497
where: short stacking energy: -386.719
Base-Backbone interact. energy: -0.872
local terms energy: -501.248566
where:
bonds (distance) C4'-P energy: -104.206
bonds (distance) P-C4' energy: -106.685
flat angles C4'-P-C4' energy: -114.447
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -107.434
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1263.850206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.850206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.850206 (E_RNA)
where:
Base-Base interactions energy: -817.793
where: short stacking energy: -359.491
Base-Backbone interact. energy: -5.340
local terms energy: -440.717476
where:
bonds (distance) C4'-P energy: -103.260
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -90.947
flat angles P-C4'-P energy: -61.670
tors. eta vs tors. theta energy: -72.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -875.895986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.895986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.895986 (E_RNA)
where:
Base-Base interactions energy: -490.362
where: short stacking energy: -215.972
Base-Backbone interact. energy: 2.772
local terms energy: -388.305974
where:
bonds (distance) C4'-P energy: -109.411
bonds (distance) P-C4' energy: -116.163
flat angles C4'-P-C4' energy: -98.760
flat angles P-C4'-P energy: -56.691
tors. eta vs tors. theta energy: -7.281
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -585.319224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.319224 (E_RNA)
where:
Base-Base interactions energy: -246.257
where: short stacking energy: -161.991
Base-Backbone interact. energy: 0.179
local terms energy: -339.241279
where:
bonds (distance) C4'-P energy: -97.209
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -97.291
flat angles P-C4'-P energy: -68.333
tors. eta vs tors. theta energy: 3.418
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: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -462.832440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.832440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.832440 (E_RNA)
where:
Base-Base interactions energy: -165.543
where: short stacking energy: -119.028
Base-Backbone interact. energy: 6.353
local terms energy: -303.643290
where:
bonds (distance) C4'-P energy: -97.694
bonds (distance) P-C4' energy: -83.582
flat angles C4'-P-C4' energy: -72.410
flat angles P-C4'-P energy: -76.466
tors. eta vs tors. theta energy: 26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2131.610252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.610252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.610252 (E_RNA)
where:
Base-Base interactions energy: -1466.129
where: short stacking energy: -603.730
Base-Backbone interact. energy: -4.585
local terms energy: -660.896544
where:
bonds (distance) C4'-P energy: -112.286
bonds (distance) P-C4' energy: -129.245
flat angles C4'-P-C4' energy: -145.591
flat angles P-C4'-P energy: -99.940
tors. eta vs tors. theta energy: -173.835
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: 303
Temperature: 0.950000
Total energy: -2061.902081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.902081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.902081 (E_RNA)
where:
Base-Base interactions energy: -1385.062
where: short stacking energy: -590.470
Base-Backbone interact. energy: 0.873
local terms energy: -677.712268
where:
bonds (distance) C4'-P energy: -121.388
bonds (distance) P-C4' energy: -127.451
flat angles C4'-P-C4' energy: -141.041
flat angles P-C4'-P energy: -101.684
tors. eta vs tors. theta energy: -186.148
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: 303
Temperature: 1.000000
Total energy: -1920.328129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.328129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.328129 (E_RNA)
where:
Base-Base interactions energy: -1328.353
where: short stacking energy: -545.793
Base-Backbone interact. energy: -1.802
local terms energy: -590.173020
where:
bonds (distance) C4'-P energy: -128.825
bonds (distance) P-C4' energy: -96.492
flat angles C4'-P-C4' energy: -125.118
flat angles P-C4'-P energy: -76.036
tors. eta vs tors. theta energy: -163.703
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: 303
Temperature: 1.050000
Total energy: -1796.441623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.441623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.441623 (E_RNA)
where:
Base-Base interactions energy: -1243.923
where: short stacking energy: -499.184
Base-Backbone interact. energy: 3.041
local terms energy: -555.559342
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -103.818
flat angles C4'-P-C4' energy: -113.162
flat angles P-C4'-P energy: -77.123
tors. eta vs tors. theta energy: -148.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1719.823300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.823300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.823300 (E_RNA)
where:
Base-Base interactions energy: -1165.547
where: short stacking energy: -496.671
Base-Backbone interact. energy: -1.635
local terms energy: -552.641740
where:
bonds (distance) C4'-P energy: -126.078
bonds (distance) P-C4' energy: -120.763
flat angles C4'-P-C4' energy: -110.951
flat angles P-C4'-P energy: -64.520
tors. eta vs tors. theta energy: -130.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1430.221184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.221184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.221184 (E_RNA)
where:
Base-Base interactions energy: -926.068
where: short stacking energy: -405.570
Base-Backbone interact. energy: -0.489
local terms energy: -503.664514
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -100.581
flat angles C4'-P-C4' energy: -117.452
flat angles P-C4'-P energy: -67.123
tors. eta vs tors. theta energy: -114.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1202.382034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.382034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.382034 (E_RNA)
where:
Base-Base interactions energy: -769.883
where: short stacking energy: -348.731
Base-Backbone interact. energy: 1.410
local terms energy: -433.909235
where:
bonds (distance) C4'-P energy: -106.434
bonds (distance) P-C4' energy: -115.508
flat angles C4'-P-C4' energy: -80.603
flat angles P-C4'-P energy: -72.393
tors. eta vs tors. theta energy: -58.972
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: 303
Temperature: 1.250000
Total energy: -906.608978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.608978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.608978 (E_RNA)
where:
Base-Base interactions energy: -533.173
where: short stacking energy: -276.355
Base-Backbone interact. energy: -1.571
local terms energy: -371.865831
where:
bonds (distance) C4'-P energy: -101.672
bonds (distance) P-C4' energy: -91.808
flat angles C4'-P-C4' energy: -104.481
flat angles P-C4'-P energy: -50.191
tors. eta vs tors. theta energy: -23.714
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: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -625.305488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.305488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.305488 (E_RNA)
where:
Base-Base interactions energy: -285.101
where: short stacking energy: -191.625
Base-Backbone interact. energy: -0.099
local terms energy: -340.105493
where:
bonds (distance) C4'-P energy: -102.482
bonds (distance) P-C4' energy: -114.111
flat angles C4'-P-C4' energy: -81.761
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -442.307523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.307523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.307523 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -105.822
Base-Backbone interact. energy: 1.083
local terms energy: -295.471164
where:
bonds (distance) C4'-P energy: -107.327
bonds (distance) P-C4' energy: -97.365
flat angles C4'-P-C4' energy: -76.091
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: 43.345
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: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2124.959320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.959320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.959320 (E_RNA)
where:
Base-Base interactions energy: -1471.562
where: short stacking energy: -600.728
Base-Backbone interact. energy: -3.922
local terms energy: -649.475604
where:
bonds (distance) C4'-P energy: -110.075
bonds (distance) P-C4' energy: -134.466
flat angles C4'-P-C4' energy: -140.698
flat angles P-C4'-P energy: -92.169
tors. eta vs tors. theta energy: -172.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2049.487258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.487258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.487258 (E_RNA)
where:
Base-Base interactions energy: -1405.284
where: short stacking energy: -565.913
Base-Backbone interact. energy: -1.570
local terms energy: -642.633176
where:
bonds (distance) C4'-P energy: -112.500
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -141.822
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -180.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1921.979815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.979815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.979815 (E_RNA)
where:
Base-Base interactions energy: -1316.921
where: short stacking energy: -537.289
Base-Backbone interact. energy: -1.362
local terms energy: -603.697141
where:
bonds (distance) C4'-P energy: -117.153
bonds (distance) P-C4' energy: -108.620
flat angles C4'-P-C4' energy: -129.775
flat angles P-C4'-P energy: -88.817
tors. eta vs tors. theta energy: -159.333
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: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1802.755895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.755895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.755895 (E_RNA)
where:
Base-Base interactions energy: -1235.393
where: short stacking energy: -519.200
Base-Backbone interact. energy: -2.257
local terms energy: -565.106170
where:
bonds (distance) C4'-P energy: -115.828
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -126.758
flat angles P-C4'-P energy: -86.218
tors. eta vs tors. theta energy: -155.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1721.536083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.536083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.536083 (E_RNA)
where:
Base-Base interactions energy: -1200.151
where: short stacking energy: -477.783
Base-Backbone interact. energy: -1.771
local terms energy: -519.614083
where:
bonds (distance) C4'-P energy: -100.032
bonds (distance) P-C4' energy: -105.831
flat angles C4'-P-C4' energy: -123.367
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -126.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1499.064650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.064650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.064650 (E_RNA)
where:
Base-Base interactions energy: -998.600
where: short stacking energy: -453.388
Base-Backbone interact. energy: -1.517
local terms energy: -498.947590
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -113.868
flat angles C4'-P-C4' energy: -99.116
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -126.139
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: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1186.763255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.763255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.763255 (E_RNA)
where:
Base-Base interactions energy: -746.982
where: short stacking energy: -360.451
Base-Backbone interact. energy: 10.510
local terms energy: -450.291917
where:
bonds (distance) C4'-P energy: -88.657
bonds (distance) P-C4' energy: -107.928
flat angles C4'-P-C4' energy: -109.006
flat angles P-C4'-P energy: -55.525
tors. eta vs tors. theta energy: -89.175
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -917.236587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.236587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.236587 (E_RNA)
where:
Base-Base interactions energy: -544.348
where: short stacking energy: -263.067
Base-Backbone interact. energy: -3.420
local terms energy: -369.467856
where:
bonds (distance) C4'-P energy: -101.537
bonds (distance) P-C4' energy: -88.260
flat angles C4'-P-C4' energy: -86.285
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -41.313
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: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -683.139165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.139165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.139165 (E_RNA)
where:
Base-Base interactions energy: -308.980
where: short stacking energy: -211.990
Base-Backbone interact. energy: -1.011
local terms energy: -373.148755
where:
bonds (distance) C4'-P energy: -102.178
bonds (distance) P-C4' energy: -98.214
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -63.646
tors. eta vs tors. theta energy: -10.342
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: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -461.321324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.321324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.321324 (E_RNA)
where:
Base-Base interactions energy: -157.087
where: short stacking energy: -113.954
Base-Backbone interact. energy: -0.902
local terms energy: -303.332475
where:
bonds (distance) C4'-P energy: -106.089
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -95.909
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: 30.920
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2138.078162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.078162 (E_RNA)
where:
Base-Base interactions energy: -1475.267
where: short stacking energy: -623.172
Base-Backbone interact. energy: -3.720
local terms energy: -659.091336
where:
bonds (distance) C4'-P energy: -123.536
bonds (distance) P-C4' energy: -128.585
flat angles C4'-P-C4' energy: -128.511
flat angles P-C4'-P energy: -100.855
tors. eta vs tors. theta energy: -177.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2054.718397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.718397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.718397 (E_RNA)
where:
Base-Base interactions energy: -1398.571
where: short stacking energy: -573.962
Base-Backbone interact. energy: -3.232
local terms energy: -652.915169
where:
bonds (distance) C4'-P energy: -130.122
bonds (distance) P-C4' energy: -115.510
flat angles C4'-P-C4' energy: -138.089
flat angles P-C4'-P energy: -88.146
tors. eta vs tors. theta energy: -181.049
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: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1911.371060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.371060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.371060 (E_RNA)
where:
Base-Base interactions energy: -1310.480
where: short stacking energy: -544.654
Base-Backbone interact. energy: -1.810
local terms energy: -599.081052
where:
bonds (distance) C4'-P energy: -117.565
bonds (distance) P-C4' energy: -108.958
flat angles C4'-P-C4' energy: -131.247
flat angles P-C4'-P energy: -80.671
tors. eta vs tors. theta energy: -160.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1800.933490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.933490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.933490 (E_RNA)
where:
Base-Base interactions energy: -1210.965
where: short stacking energy: -494.031
Base-Backbone interact. energy: -2.507
local terms energy: -587.460986
where:
bonds (distance) C4'-P energy: -120.755
bonds (distance) P-C4' energy: -116.717
flat angles C4'-P-C4' energy: -122.090
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -142.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1673.627174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.627174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.627174 (E_RNA)
where:
Base-Base interactions energy: -1119.295
where: short stacking energy: -481.220
Base-Backbone interact. energy: -1.873
local terms energy: -552.458925
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -112.833
flat angles C4'-P-C4' energy: -124.099
flat angles P-C4'-P energy: -77.519
tors. eta vs tors. theta energy: -133.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1532.274452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.274452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.274452 (E_RNA)
where:
Base-Base interactions energy: -1029.135
where: short stacking energy: -442.537
Base-Backbone interact. energy: 2.875
local terms energy: -506.014302
where:
bonds (distance) C4'-P energy: -109.145
bonds (distance) P-C4' energy: -102.026
flat angles C4'-P-C4' energy: -126.964
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -111.459
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: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1198.492176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.492176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.492176 (E_RNA)
where:
Base-Base interactions energy: -734.204
where: short stacking energy: -309.202
Base-Backbone interact. energy: -1.555
local terms energy: -462.733544
where:
bonds (distance) C4'-P energy: -110.359
bonds (distance) P-C4' energy: -108.861
flat angles C4'-P-C4' energy: -96.991
flat angles P-C4'-P energy: -91.663
tors. eta vs tors. theta energy: -54.860
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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -897.985160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.985160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.985160 (E_RNA)
where:
Base-Base interactions energy: -521.162
where: short stacking energy: -249.493
Base-Backbone interact. energy: 0.739
local terms energy: -377.561822
where:
bonds (distance) C4'-P energy: -107.962
bonds (distance) P-C4' energy: -89.893
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -29.842
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: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -634.656465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.656465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.656465 (E_RNA)
where:
Base-Base interactions energy: -261.608
where: short stacking energy: -173.511
Base-Backbone interact. energy: -3.396
local terms energy: -369.652100
where:
bonds (distance) C4'-P energy: -102.092
bonds (distance) P-C4' energy: -106.144
flat angles C4'-P-C4' energy: -107.686
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: 7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -513.778714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.778714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.778714 (E_RNA)
where:
Base-Base interactions energy: -172.874
where: short stacking energy: -117.373
Base-Backbone interact. energy: 2.845
local terms energy: -343.749297
where:
bonds (distance) C4'-P energy: -107.695
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -84.196
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: 26.426
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: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2141.269008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.269008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.269008 (E_RNA)
where:
Base-Base interactions energy: -1489.005
where: short stacking energy: -590.507
Base-Backbone interact. energy: -3.178
local terms energy: -649.085514
where:
bonds (distance) C4'-P energy: -117.123
bonds (distance) P-C4' energy: -122.072
flat angles C4'-P-C4' energy: -133.202
flat angles P-C4'-P energy: -96.743
tors. eta vs tors. theta energy: -179.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2029.091675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.091675 (E_RNA)
where:
Base-Base interactions energy: -1390.659
where: short stacking energy: -579.596
Base-Backbone interact. energy: 0.235
local terms energy: -638.667360
where:
bonds (distance) C4'-P energy: -117.721
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -140.728
flat angles P-C4'-P energy: -82.764
tors. eta vs tors. theta energy: -179.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1927.810398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.810398 (E_RNA)
where:
Base-Base interactions energy: -1314.996
where: short stacking energy: -546.580
Base-Backbone interact. energy: -4.485
local terms energy: -608.329775
where:
bonds (distance) C4'-P energy: -113.723
bonds (distance) P-C4' energy: -111.423
flat angles C4'-P-C4' energy: -131.323
flat angles P-C4'-P energy: -87.296
tors. eta vs tors. theta energy: -164.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1822.757234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.757234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.757234 (E_RNA)
where:
Base-Base interactions energy: -1238.548
where: short stacking energy: -500.458
Base-Backbone interact. energy: -2.079
local terms energy: -582.130761
where:
bonds (distance) C4'-P energy: -116.371
bonds (distance) P-C4' energy: -111.402
flat angles C4'-P-C4' energy: -123.751
flat angles P-C4'-P energy: -85.693
tors. eta vs tors. theta energy: -144.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1659.239326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.239326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.239326 (E_RNA)
where:
Base-Base interactions energy: -1128.933
where: short stacking energy: -463.049
Base-Backbone interact. energy: -3.257
local terms energy: -527.049052
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -107.543
flat angles C4'-P-C4' energy: -111.655
flat angles P-C4'-P energy: -73.300
tors. eta vs tors. theta energy: -131.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1523.153980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.153980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.153980 (E_RNA)
where:
Base-Base interactions energy: -978.872
where: short stacking energy: -436.189
Base-Backbone interact. energy: -0.368
local terms energy: -543.914707
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -106.240
flat angles C4'-P-C4' energy: -127.352
flat angles P-C4'-P energy: -76.563
tors. eta vs tors. theta energy: -123.505
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: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1200.820318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.820318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.820318 (E_RNA)
where:
Base-Base interactions energy: -787.953
where: short stacking energy: -339.923
Base-Backbone interact. energy: 0.184
local terms energy: -413.051202
where:
bonds (distance) C4'-P energy: -78.277
bonds (distance) P-C4' energy: -112.039
flat angles C4'-P-C4' energy: -92.015
flat angles P-C4'-P energy: -67.013
tors. eta vs tors. theta energy: -63.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -869.322859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.322859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.322859 (E_RNA)
where:
Base-Base interactions energy: -493.336
where: short stacking energy: -256.380
Base-Backbone interact. energy: 0.702
local terms energy: -376.688936
where:
bonds (distance) C4'-P energy: -105.105
bonds (distance) P-C4' energy: -104.372
flat angles C4'-P-C4' energy: -80.898
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -585.882369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.882369 (E_RNA)
where:
Base-Base interactions energy: -264.236
where: short stacking energy: -151.355
Base-Backbone interact. energy: 4.034
local terms energy: -325.680327
where:
bonds (distance) C4'-P energy: -91.285
bonds (distance) P-C4' energy: -105.461
flat angles C4'-P-C4' energy: -82.148
flat angles P-C4'-P energy: -59.146
tors. eta vs tors. theta energy: 12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -465.543803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.543803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.543803 (E_RNA)
where:
Base-Base interactions energy: -161.613
where: short stacking energy: -121.639
Base-Backbone interact. energy: -0.919
local terms energy: -303.011900
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -80.617
flat angles P-C4'-P energy: -56.548
tors. eta vs tors. theta energy: 33.424
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: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2130.827857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.827857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.827857 (E_RNA)
where:
Base-Base interactions energy: -1494.472
where: short stacking energy: -596.986
Base-Backbone interact. energy: 1.549
local terms energy: -637.905159
where:
bonds (distance) C4'-P energy: -121.029
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -139.607
flat angles P-C4'-P energy: -87.014
tors. eta vs tors. theta energy: -174.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2079.786154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.786154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.786154 (E_RNA)
where:
Base-Base interactions energy: -1430.931
where: short stacking energy: -594.733
Base-Backbone interact. energy: -2.664
local terms energy: -646.191675
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -113.267
flat angles C4'-P-C4' energy: -142.441
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -187.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1942.399240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.399240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.399240 (E_RNA)
where:
Base-Base interactions energy: -1303.519
where: short stacking energy: -555.412
Base-Backbone interact. energy: -1.198
local terms energy: -637.681785
where:
bonds (distance) C4'-P energy: -111.012
bonds (distance) P-C4' energy: -107.738
flat angles C4'-P-C4' energy: -144.987
flat angles P-C4'-P energy: -94.697
tors. eta vs tors. theta energy: -179.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1815.172543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.172543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.172543 (E_RNA)
where:
Base-Base interactions energy: -1240.838
where: short stacking energy: -508.114
Base-Backbone interact. energy: -0.671
local terms energy: -573.662935
where:
bonds (distance) C4'-P energy: -92.836
bonds (distance) P-C4' energy: -106.593
flat angles C4'-P-C4' energy: -132.441
flat angles P-C4'-P energy: -83.681
tors. eta vs tors. theta energy: -158.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1706.754703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.754703 (E_RNA)
where:
Base-Base interactions energy: -1127.744
where: short stacking energy: -494.772
Base-Backbone interact. energy: -2.393
local terms energy: -576.617078
where:
bonds (distance) C4'-P energy: -97.806
bonds (distance) P-C4' energy: -129.417
flat angles C4'-P-C4' energy: -123.982
flat angles P-C4'-P energy: -86.578
tors. eta vs tors. theta energy: -138.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1528.551519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.551519 (E_RNA)
where:
Base-Base interactions energy: -1001.237
where: short stacking energy: -454.889
Base-Backbone interact. energy: -3.645
local terms energy: -523.669671
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -114.756
flat angles P-C4'-P energy: -83.027
tors. eta vs tors. theta energy: -128.624
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: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1198.773567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.773567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.773567 (E_RNA)
where:
Base-Base interactions energy: -741.223
where: short stacking energy: -327.990
Base-Backbone interact. energy: -2.526
local terms energy: -455.025127
where:
bonds (distance) C4'-P energy: -98.286
bonds (distance) P-C4' energy: -99.785
flat angles C4'-P-C4' energy: -115.796
flat angles P-C4'-P energy: -70.819
tors. eta vs tors. theta energy: -70.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -869.928464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.928464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.928464 (E_RNA)
where:
Base-Base interactions energy: -456.690
where: short stacking energy: -238.327
Base-Backbone interact. energy: -1.002
local terms energy: -412.237018
where:
bonds (distance) C4'-P energy: -114.572
bonds (distance) P-C4' energy: -107.872
flat angles C4'-P-C4' energy: -98.483
flat angles P-C4'-P energy: -66.282
tors. eta vs tors. theta energy: -25.028
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -588.493078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.493078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.493078 (E_RNA)
where:
Base-Base interactions energy: -255.406
where: short stacking energy: -178.246
Base-Backbone interact. energy: -0.081
local terms energy: -333.006912
where:
bonds (distance) C4'-P energy: -85.373
bonds (distance) P-C4' energy: -91.914
flat angles C4'-P-C4' energy: -95.427
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -0.042
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -477.916862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.916862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.916862 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -119.258
Base-Backbone interact. energy: -3.638
local terms energy: -334.111962
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -104.063
flat angles C4'-P-C4' energy: -91.227
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: 25.794
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: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2180.305260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.305260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.305260 (E_RNA)
where:
Base-Base interactions energy: -1525.586
where: short stacking energy: -613.455
Base-Backbone interact. energy: -2.496
local terms energy: -652.223276
where:
bonds (distance) C4'-P energy: -124.089
bonds (distance) P-C4' energy: -126.222
flat angles C4'-P-C4' energy: -141.446
flat angles P-C4'-P energy: -84.669
tors. eta vs tors. theta energy: -175.797
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: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2071.790285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.790285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.790285 (E_RNA)
where:
Base-Base interactions energy: -1404.896
where: short stacking energy: -609.004
Base-Backbone interact. energy: -1.917
local terms energy: -664.977084
where:
bonds (distance) C4'-P energy: -121.129
bonds (distance) P-C4' energy: -119.670
flat angles C4'-P-C4' energy: -140.816
flat angles P-C4'-P energy: -92.044
tors. eta vs tors. theta energy: -191.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1934.631223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.631223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.631223 (E_RNA)
where:
Base-Base interactions energy: -1304.538
where: short stacking energy: -545.749
Base-Backbone interact. energy: -2.119
local terms energy: -627.974208
where:
bonds (distance) C4'-P energy: -113.638
bonds (distance) P-C4' energy: -119.934
flat angles C4'-P-C4' energy: -134.783
flat angles P-C4'-P energy: -97.344
tors. eta vs tors. theta energy: -162.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1801.513090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.513090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.513090 (E_RNA)
where:
Base-Base interactions energy: -1233.612
where: short stacking energy: -479.089
Base-Backbone interact. energy: -3.994
local terms energy: -563.907450
where:
bonds (distance) C4'-P energy: -104.906
bonds (distance) P-C4' energy: -113.289
flat angles C4'-P-C4' energy: -121.982
flat angles P-C4'-P energy: -92.426
tors. eta vs tors. theta energy: -131.304
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: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1713.332049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.332049 (E_RNA)
where:
Base-Base interactions energy: -1131.883
where: short stacking energy: -485.782
Base-Backbone interact. energy: -1.935
local terms energy: -579.513921
where:
bonds (distance) C4'-P energy: -124.596
bonds (distance) P-C4' energy: -108.336
flat angles C4'-P-C4' energy: -123.519
flat angles P-C4'-P energy: -83.622
tors. eta vs tors. theta energy: -139.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1558.610384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.610384 (E_RNA)
where:
Base-Base interactions energy: -1029.332
where: short stacking energy: -457.571
Base-Backbone interact. energy: -1.568
local terms energy: -527.710057
where:
bonds (distance) C4'-P energy: -96.797
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -113.190
flat angles P-C4'-P energy: -78.200
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: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1186.529816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.529816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.529816 (E_RNA)
where:
Base-Base interactions energy: -750.145
where: short stacking energy: -302.627
Base-Backbone interact. energy: 0.564
local terms energy: -436.949006
where:
bonds (distance) C4'-P energy: -104.529
bonds (distance) P-C4' energy: -118.002
flat angles C4'-P-C4' energy: -97.815
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -60.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -871.748730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.748730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.748730 (E_RNA)
where:
Base-Base interactions energy: -498.243
where: short stacking energy: -250.428
Base-Backbone interact. energy: 0.122
local terms energy: -373.627272
where:
bonds (distance) C4'-P energy: -100.027
bonds (distance) P-C4' energy: -93.384
flat angles C4'-P-C4' energy: -94.276
flat angles P-C4'-P energy: -54.175
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -602.391351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.391351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.391351 (E_RNA)
where:
Base-Base interactions energy: -267.282
where: short stacking energy: -161.787
Base-Backbone interact. energy: 1.296
local terms energy: -336.405328
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -103.372
flat angles C4'-P-C4' energy: -95.769
flat angles P-C4'-P energy: -61.182
tors. eta vs tors. theta energy: 22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -485.053960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.053960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.053960 (E_RNA)
where:
Base-Base interactions energy: -183.630
where: short stacking energy: -112.399
Base-Backbone interact. energy: -2.686
local terms energy: -298.737347
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -72.000
flat angles P-C4'-P energy: -55.778
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2189.341978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.341978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.341978 (E_RNA)
where:
Base-Base interactions energy: -1527.063
where: short stacking energy: -609.855
Base-Backbone interact. energy: 1.649
local terms energy: -663.927680
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -123.923
flat angles C4'-P-C4' energy: -139.797
flat angles P-C4'-P energy: -90.894
tors. eta vs tors. theta energy: -180.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2031.964920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.964920 (E_RNA)
where:
Base-Base interactions energy: -1383.430
where: short stacking energy: -570.768
Base-Backbone interact. energy: -2.097
local terms energy: -646.437371
where:
bonds (distance) C4'-P energy: -127.795
bonds (distance) P-C4' energy: -111.182
flat angles C4'-P-C4' energy: -138.140
flat angles P-C4'-P energy: -93.196
tors. eta vs tors. theta energy: -176.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1921.785558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.785558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.785558 (E_RNA)
where:
Base-Base interactions energy: -1314.905
where: short stacking energy: -540.141
Base-Backbone interact. energy: -2.206
local terms energy: -604.675094
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -117.216
flat angles C4'-P-C4' energy: -129.352
flat angles P-C4'-P energy: -72.661
tors. eta vs tors. theta energy: -167.870
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: 309
Temperature: 1.050000
Total energy: -1807.879638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.879638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.879638 (E_RNA)
where:
Base-Base interactions energy: -1232.621
where: short stacking energy: -485.335
Base-Backbone interact. energy: 1.723
local terms energy: -576.982274
where:
bonds (distance) C4'-P energy: -100.162
bonds (distance) P-C4' energy: -122.962
flat angles C4'-P-C4' energy: -122.261
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -146.252
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: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1795.799142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.799142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.799142 (E_RNA)
where:
Base-Base interactions energy: -1222.544
where: short stacking energy: -532.654
Base-Backbone interact. energy: 1.219
local terms energy: -574.474703
where:
bonds (distance) C4'-P energy: -111.188
bonds (distance) P-C4' energy: -118.683
flat angles C4'-P-C4' energy: -103.826
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -160.624
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: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1545.888693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.888693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.888693 (E_RNA)
where:
Base-Base interactions energy: -1023.739
where: short stacking energy: -445.278
Base-Backbone interact. energy: -1.627
local terms energy: -520.523021
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -112.230
flat angles C4'-P-C4' energy: -109.248
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -125.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1192.862490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.862490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.862490 (E_RNA)
where:
Base-Base interactions energy: -745.615
where: short stacking energy: -336.617
Base-Backbone interact. energy: -1.196
local terms energy: -446.051062
where:
bonds (distance) C4'-P energy: -105.242
bonds (distance) P-C4' energy: -107.183
flat angles C4'-P-C4' energy: -103.153
flat angles P-C4'-P energy: -73.428
tors. eta vs tors. theta energy: -57.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -867.584435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.584435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.584435 (E_RNA)
where:
Base-Base interactions energy: -490.429
where: short stacking energy: -233.417
Base-Backbone interact. energy: 2.412
local terms energy: -379.566922
where:
bonds (distance) C4'-P energy: -111.180
bonds (distance) P-C4' energy: -106.238
flat angles C4'-P-C4' energy: -92.467
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -25.774
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -602.622602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.622602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.622602 (E_RNA)
where:
Base-Base interactions energy: -262.806
where: short stacking energy: -176.476
Base-Backbone interact. energy: -0.091
local terms energy: -339.725141
where:
bonds (distance) C4'-P energy: -104.860
bonds (distance) P-C4' energy: -98.157
flat angles C4'-P-C4' energy: -96.493
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: 11.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -495.270210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.270210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.270210 (E_RNA)
where:
Base-Base interactions energy: -204.856
where: short stacking energy: -120.926
Base-Backbone interact. energy: -3.411
local terms energy: -287.002326
where:
bonds (distance) C4'-P energy: -108.528
bonds (distance) P-C4' energy: -98.568
flat angles C4'-P-C4' energy: -72.802
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: 25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2164.611926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.611926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.611926 (E_RNA)
where:
Base-Base interactions energy: -1522.921
where: short stacking energy: -613.754
Base-Backbone interact. energy: -0.348
local terms energy: -641.342843
where:
bonds (distance) C4'-P energy: -116.186
bonds (distance) P-C4' energy: -120.663
flat angles C4'-P-C4' energy: -135.676
flat angles P-C4'-P energy: -88.745
tors. eta vs tors. theta energy: -180.073
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: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2063.378370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.378370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.378370 (E_RNA)
where:
Base-Base interactions energy: -1405.180
where: short stacking energy: -572.943
Base-Backbone interact. energy: -1.725
local terms energy: -656.473809
where:
bonds (distance) C4'-P energy: -120.240
bonds (distance) P-C4' energy: -121.627
flat angles C4'-P-C4' energy: -138.349
flat angles P-C4'-P energy: -96.904
tors. eta vs tors. theta energy: -179.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1893.008187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.008187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.008187 (E_RNA)
where:
Base-Base interactions energy: -1305.617
where: short stacking energy: -521.302
Base-Backbone interact. energy: -3.957
local terms energy: -583.433883
where:
bonds (distance) C4'-P energy: -105.566
bonds (distance) P-C4' energy: -112.432
flat angles C4'-P-C4' energy: -130.230
flat angles P-C4'-P energy: -73.373
tors. eta vs tors. theta energy: -161.834
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: 310
Temperature: 1.050000
Total energy: -1792.003720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.003720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.003720 (E_RNA)
where:
Base-Base interactions energy: -1215.609
where: short stacking energy: -498.716
Base-Backbone interact. energy: 2.664
local terms energy: -579.058189
where:
bonds (distance) C4'-P energy: -100.261
bonds (distance) P-C4' energy: -118.113
flat angles C4'-P-C4' energy: -134.249
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -138.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1721.559772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.559772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.559772 (E_RNA)
where:
Base-Base interactions energy: -1191.427
where: short stacking energy: -518.553
Base-Backbone interact. energy: 1.684
local terms energy: -531.816886
where:
bonds (distance) C4'-P energy: -110.064
bonds (distance) P-C4' energy: -92.998
flat angles C4'-P-C4' energy: -120.607
flat angles P-C4'-P energy: -69.481
tors. eta vs tors. theta energy: -138.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1496.717877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.717877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.717877 (E_RNA)
where:
Base-Base interactions energy: -984.694
where: short stacking energy: -447.961
Base-Backbone interact. energy: -1.444
local terms energy: -510.580320
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -109.598
flat angles P-C4'-P energy: -64.134
tors. eta vs tors. theta energy: -123.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1182.139095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.139095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.139095 (E_RNA)
where:
Base-Base interactions energy: -733.236
where: short stacking energy: -331.656
Base-Backbone interact. energy: 5.025
local terms energy: -453.927822
where:
bonds (distance) C4'-P energy: -102.474
bonds (distance) P-C4' energy: -113.998
flat angles C4'-P-C4' energy: -106.426
flat angles P-C4'-P energy: -57.273
tors. eta vs tors. theta energy: -73.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -866.754977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.754977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.754977 (E_RNA)
where:
Base-Base interactions energy: -496.145
where: short stacking energy: -254.474
Base-Backbone interact. energy: 0.417
local terms energy: -371.026529
where:
bonds (distance) C4'-P energy: -104.788
bonds (distance) P-C4' energy: -104.560
flat angles C4'-P-C4' energy: -69.629
flat angles P-C4'-P energy: -59.901
tors. eta vs tors. theta energy: -32.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -642.412979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.412979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.412979 (E_RNA)
where:
Base-Base interactions energy: -316.223
where: short stacking energy: -200.321
Base-Backbone interact. energy: 0.889
local terms energy: -327.079035
where:
bonds (distance) C4'-P energy: -95.579
bonds (distance) P-C4' energy: -95.209
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -34.176
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -486.400619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.400619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.400619 (E_RNA)
where:
Base-Base interactions energy: -182.154
where: short stacking energy: -122.465
Base-Backbone interact. energy: -4.021
local terms energy: -300.226444
where:
bonds (distance) C4'-P energy: -90.102
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -72.782
flat angles P-C4'-P energy: -54.513
tors. eta vs tors. theta energy: 21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2190.964899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.964899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.964899 (E_RNA)
where:
Base-Base interactions energy: -1552.703
where: short stacking energy: -628.601
Base-Backbone interact. energy: -2.714
local terms energy: -635.548283
where:
bonds (distance) C4'-P energy: -114.890
bonds (distance) P-C4' energy: -113.272
flat angles C4'-P-C4' energy: -131.857
flat angles P-C4'-P energy: -85.604
tors. eta vs tors. theta energy: -189.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2081.141991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.141991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.141991 (E_RNA)
where:
Base-Base interactions energy: -1439.062
where: short stacking energy: -606.514
Base-Backbone interact. energy: -0.822
local terms energy: -641.257219
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -127.834
flat angles C4'-P-C4' energy: -124.157
flat angles P-C4'-P energy: -93.463
tors. eta vs tors. theta energy: -177.134
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: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1939.626307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.626307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.626307 (E_RNA)
where:
Base-Base interactions energy: -1302.020
where: short stacking energy: -552.193
Base-Backbone interact. energy: -4.577
local terms energy: -633.029308
where:
bonds (distance) C4'-P energy: -116.929
bonds (distance) P-C4' energy: -124.621
flat angles C4'-P-C4' energy: -141.957
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -167.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1823.234952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.234952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.234952 (E_RNA)
where:
Base-Base interactions energy: -1251.266
where: short stacking energy: -509.968
Base-Backbone interact. energy: -4.502
local terms energy: -567.467498
where:
bonds (distance) C4'-P energy: -98.607
bonds (distance) P-C4' energy: -111.032
flat angles C4'-P-C4' energy: -124.987
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -148.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1748.606843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.606843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.606843 (E_RNA)
where:
Base-Base interactions energy: -1161.899
where: short stacking energy: -523.159
Base-Backbone interact. energy: -2.662
local terms energy: -584.046003
where:
bonds (distance) C4'-P energy: -98.143
bonds (distance) P-C4' energy: -120.583
flat angles C4'-P-C4' energy: -139.249
flat angles P-C4'-P energy: -81.800
tors. eta vs tors. theta energy: -144.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1523.806245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.806245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.806245 (E_RNA)
where:
Base-Base interactions energy: -1004.968
where: short stacking energy: -445.667
Base-Backbone interact. energy: -0.227
local terms energy: -518.611414
where:
bonds (distance) C4'-P energy: -98.180
bonds (distance) P-C4' energy: -101.094
flat angles C4'-P-C4' energy: -128.597
flat angles P-C4'-P energy: -60.743
tors. eta vs tors. theta energy: -129.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1195.272179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.272179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.272179 (E_RNA)
where:
Base-Base interactions energy: -756.197
where: short stacking energy: -362.106
Base-Backbone interact. energy: -2.875
local terms energy: -436.200484
where:
bonds (distance) C4'-P energy: -96.007
bonds (distance) P-C4' energy: -109.590
flat angles C4'-P-C4' energy: -109.846
flat angles P-C4'-P energy: -61.955
tors. eta vs tors. theta energy: -58.803
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -872.042992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.042992 (E_RNA)
where:
Base-Base interactions energy: -457.741
where: short stacking energy: -231.564
Base-Backbone interact. energy: -2.296
local terms energy: -412.006670
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -95.674
flat angles C4'-P-C4' energy: -85.390
flat angles P-C4'-P energy: -75.188
tors. eta vs tors. theta energy: -36.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -620.859835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.859835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.859835 (E_RNA)
where:
Base-Base interactions energy: -284.182
where: short stacking energy: -196.359
Base-Backbone interact. energy: 5.073
local terms energy: -341.750418
where:
bonds (distance) C4'-P energy: -96.205
bonds (distance) P-C4' energy: -106.493
flat angles C4'-P-C4' energy: -89.958
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: 8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -441.715937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.715937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.715937 (E_RNA)
where:
Base-Base interactions energy: -144.059
where: short stacking energy: -88.812
Base-Backbone interact. energy: 2.496
local terms energy: -300.153285
where:
bonds (distance) C4'-P energy: -106.216
bonds (distance) P-C4' energy: -113.663
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -54.711
tors. eta vs tors. theta energy: 45.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2205.440500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.440500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.440500 (E_RNA)
where:
Base-Base interactions energy: -1524.633
where: short stacking energy: -619.791
Base-Backbone interact. energy: 0.998
local terms energy: -681.805629
where:
bonds (distance) C4'-P energy: -125.459
bonds (distance) P-C4' energy: -122.025
flat angles C4'-P-C4' energy: -147.864
flat angles P-C4'-P energy: -97.017
tors. eta vs tors. theta energy: -189.440
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: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2062.037830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.037830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.037830 (E_RNA)
where:
Base-Base interactions energy: -1444.936
where: short stacking energy: -588.311
Base-Backbone interact. energy: -3.163
local terms energy: -613.939547
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -130.980
flat angles P-C4'-P energy: -80.046
tors. eta vs tors. theta energy: -167.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1895.748228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.748228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.748228 (E_RNA)
where:
Base-Base interactions energy: -1275.976
where: short stacking energy: -534.554
Base-Backbone interact. energy: -2.920
local terms energy: -616.852931
where:
bonds (distance) C4'-P energy: -122.851
bonds (distance) P-C4' energy: -126.382
flat angles C4'-P-C4' energy: -120.222
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -161.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1832.164189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.164189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.164189 (E_RNA)
where:
Base-Base interactions energy: -1246.166
where: short stacking energy: -504.913
Base-Backbone interact. energy: -2.871
local terms energy: -583.127320
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -122.806
flat angles C4'-P-C4' energy: -129.382
flat angles P-C4'-P energy: -75.794
tors. eta vs tors. theta energy: -147.894
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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1778.484828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.484828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.484828 (E_RNA)
where:
Base-Base interactions energy: -1199.828
where: short stacking energy: -510.681
Base-Backbone interact. energy: -1.266
local terms energy: -577.391291
where:
bonds (distance) C4'-P energy: -118.260
bonds (distance) P-C4' energy: -124.348
flat angles C4'-P-C4' energy: -128.192
flat angles P-C4'-P energy: -63.857
tors. eta vs tors. theta energy: -142.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1540.773180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.773180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.773180 (E_RNA)
where:
Base-Base interactions energy: -1003.936
where: short stacking energy: -450.240
Base-Backbone interact. energy: -2.951
local terms energy: -533.886097
where:
bonds (distance) C4'-P energy: -113.268
bonds (distance) P-C4' energy: -100.604
flat angles C4'-P-C4' energy: -108.455
flat angles P-C4'-P energy: -78.085
tors. eta vs tors. theta energy: -133.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1219.446660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.446660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.446660 (E_RNA)
where:
Base-Base interactions energy: -751.702
where: short stacking energy: -346.230
Base-Backbone interact. energy: -1.038
local terms energy: -466.706512
where:
bonds (distance) C4'-P energy: -103.031
bonds (distance) P-C4' energy: -106.889
flat angles C4'-P-C4' energy: -106.747
flat angles P-C4'-P energy: -72.169
tors. eta vs tors. theta energy: -77.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -922.657033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.657033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.657033 (E_RNA)
where:
Base-Base interactions energy: -536.982
where: short stacking energy: -261.768
Base-Backbone interact. energy: -1.362
local terms energy: -384.313677
where:
bonds (distance) C4'-P energy: -96.064
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -106.779
flat angles P-C4'-P energy: -54.082
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -649.307028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.307028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.307028 (E_RNA)
where:
Base-Base interactions energy: -299.384
where: short stacking energy: -207.473
Base-Backbone interact. energy: -0.121
local terms energy: -349.801895
where:
bonds (distance) C4'-P energy: -97.147
bonds (distance) P-C4' energy: -104.983
flat angles C4'-P-C4' energy: -107.957
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -487.985529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.985529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.985529 (E_RNA)
where:
Base-Base interactions energy: -173.629
where: short stacking energy: -124.614
Base-Backbone interact. energy: -0.943
local terms energy: -313.413235
where:
bonds (distance) C4'-P energy: -87.089
bonds (distance) P-C4' energy: -104.096
flat angles C4'-P-C4' energy: -88.071
flat angles P-C4'-P energy: -63.155
tors. eta vs tors. theta energy: 28.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2159.916867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.916867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.916867 (E_RNA)
where:
Base-Base interactions energy: -1486.505
where: short stacking energy: -624.045
Base-Backbone interact. energy: -2.084
local terms energy: -671.328059
where:
bonds (distance) C4'-P energy: -125.711
bonds (distance) P-C4' energy: -133.022
flat angles C4'-P-C4' energy: -139.844
flat angles P-C4'-P energy: -96.909
tors. eta vs tors. theta energy: -175.843
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: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2062.087578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.087578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.087578 (E_RNA)
where:
Base-Base interactions energy: -1433.575
where: short stacking energy: -585.948
Base-Backbone interact. energy: -1.774
local terms energy: -626.738123
where:
bonds (distance) C4'-P energy: -116.780
bonds (distance) P-C4' energy: -114.282
flat angles C4'-P-C4' energy: -127.957
flat angles P-C4'-P energy: -95.320
tors. eta vs tors. theta energy: -172.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1916.545233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.545233 (E_RNA)
where:
Base-Base interactions energy: -1295.326
where: short stacking energy: -511.861
Base-Backbone interact. energy: -5.220
local terms energy: -615.998714
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -134.229
flat angles P-C4'-P energy: -93.436
tors. eta vs tors. theta energy: -166.659
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: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1811.308696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.308696 (E_RNA)
where:
Base-Base interactions energy: -1223.073
where: short stacking energy: -518.169
Base-Backbone interact. energy: -2.740
local terms energy: -585.495662
where:
bonds (distance) C4'-P energy: -114.097
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -127.477
flat angles P-C4'-P energy: -86.690
tors. eta vs tors. theta energy: -146.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1796.167747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.167747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.167747 (E_RNA)
where:
Base-Base interactions energy: -1221.072
where: short stacking energy: -522.680
Base-Backbone interact. energy: 0.296
local terms energy: -575.391812
where:
bonds (distance) C4'-P energy: -101.908
bonds (distance) P-C4' energy: -106.984
flat angles C4'-P-C4' energy: -134.254
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: -159.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1535.966422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.966422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.966422 (E_RNA)
where:
Base-Base interactions energy: -1023.113
where: short stacking energy: -461.463
Base-Backbone interact. energy: -1.223
local terms energy: -511.630953
where:
bonds (distance) C4'-P energy: -104.181
bonds (distance) P-C4' energy: -98.846
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -61.979
tors. eta vs tors. theta energy: -137.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1179.534271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.534271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.534271 (E_RNA)
where:
Base-Base interactions energy: -764.299
where: short stacking energy: -342.483
Base-Backbone interact. energy: 1.825
local terms energy: -417.060289
where:
bonds (distance) C4'-P energy: -96.148
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -58.171
tors. eta vs tors. theta energy: -67.371
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: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -915.062651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.062651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.062651 (E_RNA)
where:
Base-Base interactions energy: -517.744
where: short stacking energy: -266.502
Base-Backbone interact. energy: 3.064
local terms energy: -400.383332
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -111.445
flat angles C4'-P-C4' energy: -94.971
flat angles P-C4'-P energy: -58.266
tors. eta vs tors. theta energy: -47.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -637.513557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.513557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.513557 (E_RNA)
where:
Base-Base interactions energy: -292.784
where: short stacking energy: -167.895
Base-Backbone interact. energy: -3.533
local terms energy: -341.196188
where:
bonds (distance) C4'-P energy: -104.474
bonds (distance) P-C4' energy: -92.815
flat angles C4'-P-C4' energy: -97.154
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: 11.920
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: 313
Temperature: 1.350000
Total energy: -460.628689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.628689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.628689 (E_RNA)
where:
Base-Base interactions energy: -145.477
where: short stacking energy: -130.944
Base-Backbone interact. energy: 2.847
local terms energy: -317.999328
where:
bonds (distance) C4'-P energy: -110.281
bonds (distance) P-C4' energy: -98.051
flat angles C4'-P-C4' energy: -83.091
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: 15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2189.601156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.601156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.601156 (E_RNA)
where:
Base-Base interactions energy: -1515.779
where: short stacking energy: -620.244
Base-Backbone interact. energy: -0.336
local terms energy: -673.485517
where:
bonds (distance) C4'-P energy: -130.694
bonds (distance) P-C4' energy: -122.558
flat angles C4'-P-C4' energy: -139.413
flat angles P-C4'-P energy: -93.243
tors. eta vs tors. theta energy: -187.577
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2068.382355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.382355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.382355 (E_RNA)
where:
Base-Base interactions energy: -1416.955
where: short stacking energy: -557.846
Base-Backbone interact. energy: -3.012
local terms energy: -648.415292
where:
bonds (distance) C4'-P energy: -128.118
bonds (distance) P-C4' energy: -120.237
flat angles C4'-P-C4' energy: -135.113
flat angles P-C4'-P energy: -90.158
tors. eta vs tors. theta energy: -174.789
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: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1928.988404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.988404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.988404 (E_RNA)
where:
Base-Base interactions energy: -1310.293
where: short stacking energy: -566.266
Base-Backbone interact. energy: -1.860
local terms energy: -616.835468
where:
bonds (distance) C4'-P energy: -110.017
bonds (distance) P-C4' energy: -113.204
flat angles C4'-P-C4' energy: -135.511
flat angles P-C4'-P energy: -89.496
tors. eta vs tors. theta energy: -168.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1812.043975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.043975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.043975 (E_RNA)
where:
Base-Base interactions energy: -1215.624
where: short stacking energy: -486.144
Base-Backbone interact. energy: 0.673
local terms energy: -597.093483
where:
bonds (distance) C4'-P energy: -104.183
bonds (distance) P-C4' energy: -130.368
flat angles C4'-P-C4' energy: -126.741
flat angles P-C4'-P energy: -89.941
tors. eta vs tors. theta energy: -145.860
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1749.853144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.853144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.853144 (E_RNA)
where:
Base-Base interactions energy: -1156.751
where: short stacking energy: -477.310
Base-Backbone interact. energy: -3.330
local terms energy: -589.771577
where:
bonds (distance) C4'-P energy: -117.453
bonds (distance) P-C4' energy: -124.515
flat angles C4'-P-C4' energy: -127.000
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -142.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1526.980585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.980585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.980585 (E_RNA)
where:
Base-Base interactions energy: -968.097
where: short stacking energy: -468.522
Base-Backbone interact. energy: -1.349
local terms energy: -557.534232
where:
bonds (distance) C4'-P energy: -91.349
bonds (distance) P-C4' energy: -113.139
flat angles C4'-P-C4' energy: -127.992
flat angles P-C4'-P energy: -86.753
tors. eta vs tors. theta energy: -138.302
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: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1144.426776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.426776 (E_RNA)
where:
Base-Base interactions energy: -719.802
where: short stacking energy: -333.031
Base-Backbone interact. energy: 0.883
local terms energy: -425.507528
where:
bonds (distance) C4'-P energy: -99.048
bonds (distance) P-C4' energy: -106.247
flat angles C4'-P-C4' energy: -95.292
flat angles P-C4'-P energy: -72.170
tors. eta vs tors. theta energy: -52.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -928.032387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.032387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.032387 (E_RNA)
where:
Base-Base interactions energy: -519.118
where: short stacking energy: -226.592
Base-Backbone interact. energy: -0.926
local terms energy: -407.987829
where:
bonds (distance) C4'-P energy: -105.047
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -114.453
flat angles P-C4'-P energy: -48.962
tors. eta vs tors. theta energy: -32.038
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: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -606.448502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.448502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.448502 (E_RNA)
where:
Base-Base interactions energy: -279.186
where: short stacking energy: -159.748
Base-Backbone interact. energy: -2.121
local terms energy: -325.141536
where:
bonds (distance) C4'-P energy: -110.221
bonds (distance) P-C4' energy: -98.826
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -42.224
tors. eta vs tors. theta energy: 5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -476.180244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.180244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.180244 (E_RNA)
where:
Base-Base interactions energy: -151.954
where: short stacking energy: -126.401
Base-Backbone interact. energy: 3.217
local terms energy: -327.443461
where:
bonds (distance) C4'-P energy: -120.107
bonds (distance) P-C4' energy: -94.495
flat angles C4'-P-C4' energy: -72.894
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: 13.073
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2180.525435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.525435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.525435 (E_RNA)
where:
Base-Base interactions energy: -1523.468
where: short stacking energy: -606.987
Base-Backbone interact. energy: -3.683
local terms energy: -653.374069
where:
bonds (distance) C4'-P energy: -124.599
bonds (distance) P-C4' energy: -121.653
flat angles C4'-P-C4' energy: -140.972
flat angles P-C4'-P energy: -82.843
tors. eta vs tors. theta energy: -183.307
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2064.328424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.328424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.328424 (E_RNA)
where:
Base-Base interactions energy: -1440.808
where: short stacking energy: -580.486
Base-Backbone interact. energy: -2.423
local terms energy: -621.097487
where:
bonds (distance) C4'-P energy: -125.256
bonds (distance) P-C4' energy: -104.630
flat angles C4'-P-C4' energy: -131.795
flat angles P-C4'-P energy: -86.496
tors. eta vs tors. theta energy: -172.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1955.320728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.320728 (E_RNA)
where:
Base-Base interactions energy: -1327.455
where: short stacking energy: -571.773
Base-Backbone interact. energy: -2.724
local terms energy: -625.142078
where:
bonds (distance) C4'-P energy: -104.090
bonds (distance) P-C4' energy: -112.741
flat angles C4'-P-C4' energy: -133.591
flat angles P-C4'-P energy: -94.914
tors. eta vs tors. theta energy: -179.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1816.714362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.714362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.714362 (E_RNA)
where:
Base-Base interactions energy: -1211.745
where: short stacking energy: -498.616
Base-Backbone interact. energy: -2.165
local terms energy: -602.803611
where:
bonds (distance) C4'-P energy: -113.943
bonds (distance) P-C4' energy: -125.419
flat angles C4'-P-C4' energy: -132.323
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -157.011
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: 315
Temperature: 1.100000
Total energy: -1745.076181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.076181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.076181 (E_RNA)
where:
Base-Base interactions energy: -1219.640
where: short stacking energy: -505.609
Base-Backbone interact. energy: -4.220
local terms energy: -521.216313
where:
bonds (distance) C4'-P energy: -105.505
bonds (distance) P-C4' energy: -85.342
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -72.676
tors. eta vs tors. theta energy: -141.893
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: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1556.128146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.128146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.128146 (E_RNA)
where:
Base-Base interactions energy: -993.215
where: short stacking energy: -461.578
Base-Backbone interact. energy: -1.480
local terms energy: -561.433124
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -121.453
flat angles C4'-P-C4' energy: -113.666
flat angles P-C4'-P energy: -75.595
tors. eta vs tors. theta energy: -136.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1131.709795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.709795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.709795 (E_RNA)
where:
Base-Base interactions energy: -717.756
where: short stacking energy: -316.982
Base-Backbone interact. energy: 2.684
local terms energy: -416.637680
where:
bonds (distance) C4'-P energy: -98.382
bonds (distance) P-C4' energy: -109.992
flat angles C4'-P-C4' energy: -93.614
flat angles P-C4'-P energy: -50.341
tors. eta vs tors. theta energy: -64.308
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: 315
Temperature: 1.250000
Total energy: -959.390135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.390135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.390135 (E_RNA)
where:
Base-Base interactions energy: -531.213
where: short stacking energy: -254.584
Base-Backbone interact. energy: -2.504
local terms energy: -425.672795
where:
bonds (distance) C4'-P energy: -112.100
bonds (distance) P-C4' energy: -115.833
flat angles C4'-P-C4' energy: -105.801
flat angles P-C4'-P energy: -67.701
tors. eta vs tors. theta energy: -24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -604.209345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.209345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.209345 (E_RNA)
where:
Base-Base interactions energy: -259.409
where: short stacking energy: -167.317
Base-Backbone interact. energy: 1.257
local terms energy: -346.057831
where:
bonds (distance) C4'-P energy: -107.157
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -84.008
flat angles P-C4'-P energy: -52.839
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -479.949690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.949690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.949690 (E_RNA)
where:
Base-Base interactions energy: -143.219
where: short stacking energy: -111.995
Base-Backbone interact. energy: -0.337
local terms energy: -336.393194
where:
bonds (distance) C4'-P energy: -92.867
bonds (distance) P-C4' energy: -120.328
flat angles C4'-P-C4' energy: -89.963
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: 14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2181.698981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.698981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.698981 (E_RNA)
where:
Base-Base interactions energy: -1527.468
where: short stacking energy: -619.622
Base-Backbone interact. energy: -1.409
local terms energy: -652.821791
where:
bonds (distance) C4'-P energy: -119.985
bonds (distance) P-C4' energy: -121.576
flat angles C4'-P-C4' energy: -141.294
flat angles P-C4'-P energy: -86.951
tors. eta vs tors. theta energy: -183.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2048.571757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.571757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.571757 (E_RNA)
where:
Base-Base interactions energy: -1431.377
where: short stacking energy: -564.894
Base-Backbone interact. energy: -2.080
local terms energy: -615.115007
where:
bonds (distance) C4'-P energy: -110.910
bonds (distance) P-C4' energy: -119.238
flat angles C4'-P-C4' energy: -124.183
flat angles P-C4'-P energy: -90.178
tors. eta vs tors. theta energy: -170.606
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: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1947.941345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.941345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.941345 (E_RNA)
where:
Base-Base interactions energy: -1323.192
where: short stacking energy: -556.606
Base-Backbone interact. energy: -2.843
local terms energy: -621.906191
where:
bonds (distance) C4'-P energy: -109.459
bonds (distance) P-C4' energy: -132.621
flat angles C4'-P-C4' energy: -137.882
flat angles P-C4'-P energy: -61.497
tors. eta vs tors. theta energy: -180.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1824.496010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.496010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.496010 (E_RNA)
where:
Base-Base interactions energy: -1249.094
where: short stacking energy: -526.260
Base-Backbone interact. energy: 0.199
local terms energy: -575.600480
where:
bonds (distance) C4'-P energy: -105.036
bonds (distance) P-C4' energy: -118.513
flat angles C4'-P-C4' energy: -121.482
flat angles P-C4'-P energy: -61.442
tors. eta vs tors. theta energy: -169.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1794.637618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.637618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.637618 (E_RNA)
where:
Base-Base interactions energy: -1239.010
where: short stacking energy: -514.947
Base-Backbone interact. energy: -1.510
local terms energy: -554.117398
where:
bonds (distance) C4'-P energy: -107.386
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -104.903
flat angles P-C4'-P energy: -72.429
tors. eta vs tors. theta energy: -155.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1473.785973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.785973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.785973 (E_RNA)
where:
Base-Base interactions energy: -948.816
where: short stacking energy: -420.017
Base-Backbone interact. energy: -1.653
local terms energy: -523.316485
where:
bonds (distance) C4'-P energy: -101.956
bonds (distance) P-C4' energy: -109.753
flat angles C4'-P-C4' energy: -124.338
flat angles P-C4'-P energy: -71.632
tors. eta vs tors. theta energy: -115.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1146.747587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.747587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.747587 (E_RNA)
where:
Base-Base interactions energy: -689.398
where: short stacking energy: -312.277
Base-Backbone interact. energy: -0.937
local terms energy: -456.412724
where:
bonds (distance) C4'-P energy: -101.012
bonds (distance) P-C4' energy: -99.711
flat angles C4'-P-C4' energy: -122.239
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -68.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -965.810151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.810151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.810151 (E_RNA)
where:
Base-Base interactions energy: -571.027
where: short stacking energy: -298.046
Base-Backbone interact. energy: 10.836
local terms energy: -405.619381
where:
bonds (distance) C4'-P energy: -109.763
bonds (distance) P-C4' energy: -89.306
flat angles C4'-P-C4' energy: -102.134
flat angles P-C4'-P energy: -61.654
tors. eta vs tors. theta energy: -42.762
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: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -619.319235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.319235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.319235 (E_RNA)
where:
Base-Base interactions energy: -280.084
where: short stacking energy: -192.970
Base-Backbone interact. energy: -0.834
local terms energy: -338.401268
where:
bonds (distance) C4'-P energy: -100.528
bonds (distance) P-C4' energy: -108.890
flat angles C4'-P-C4' energy: -83.347
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -449.373835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.373835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.373835 (E_RNA)
where:
Base-Base interactions energy: -151.437
where: short stacking energy: -110.977
Base-Backbone interact. energy: -2.327
local terms energy: -295.610062
where:
bonds (distance) C4'-P energy: -100.222
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -83.600
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: 32.501
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: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2191.896078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.896078 (E_RNA)
where:
Base-Base interactions energy: -1524.069
where: short stacking energy: -612.867
Base-Backbone interact. energy: -0.136
local terms energy: -667.690422
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -120.946
flat angles C4'-P-C4' energy: -142.209
flat angles P-C4'-P energy: -96.971
tors. eta vs tors. theta energy: -183.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2048.582915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.582915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.582915 (E_RNA)
where:
Base-Base interactions energy: -1388.140
where: short stacking energy: -565.882
Base-Backbone interact. energy: -0.150
local terms energy: -660.292928
where:
bonds (distance) C4'-P energy: -122.607
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -129.366
flat angles P-C4'-P energy: -100.214
tors. eta vs tors. theta energy: -186.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1962.281144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.281144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.281144 (E_RNA)
where:
Base-Base interactions energy: -1362.122
where: short stacking energy: -530.384
Base-Backbone interact. energy: -3.590
local terms energy: -596.569372
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -115.800
flat angles C4'-P-C4' energy: -127.120
flat angles P-C4'-P energy: -80.639
tors. eta vs tors. theta energy: -158.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1829.709851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.709851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.709851 (E_RNA)
where:
Base-Base interactions energy: -1270.543
where: short stacking energy: -523.519
Base-Backbone interact. energy: -1.481
local terms energy: -557.685556
where:
bonds (distance) C4'-P energy: -101.825
bonds (distance) P-C4' energy: -110.497
flat angles C4'-P-C4' energy: -124.306
flat angles P-C4'-P energy: -68.734
tors. eta vs tors. theta energy: -152.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1714.278159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.278159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.278159 (E_RNA)
where:
Base-Base interactions energy: -1155.495
where: short stacking energy: -464.571
Base-Backbone interact. energy: 0.469
local terms energy: -559.252664
where:
bonds (distance) C4'-P energy: -116.026
bonds (distance) P-C4' energy: -100.673
flat angles C4'-P-C4' energy: -129.920
flat angles P-C4'-P energy: -77.494
tors. eta vs tors. theta energy: -135.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1467.063180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.063180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.063180 (E_RNA)
where:
Base-Base interactions energy: -948.938
where: short stacking energy: -424.518
Base-Backbone interact. energy: -0.176
local terms energy: -517.949094
where:
bonds (distance) C4'-P energy: -101.692
bonds (distance) P-C4' energy: -107.088
flat angles C4'-P-C4' energy: -126.690
flat angles P-C4'-P energy: -78.698
tors. eta vs tors. theta energy: -103.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1079.774486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.774486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.774486 (E_RNA)
where:
Base-Base interactions energy: -666.304
where: short stacking energy: -288.674
Base-Backbone interact. energy: 0.240
local terms energy: -413.711031
where:
bonds (distance) C4'-P energy: -115.660
bonds (distance) P-C4' energy: -112.586
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -48.209
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -948.846682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.846682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.846682 (E_RNA)
where:
Base-Base interactions energy: -563.077
where: short stacking energy: -276.226
Base-Backbone interact. energy: -0.304
local terms energy: -385.466382
where:
bonds (distance) C4'-P energy: -95.084
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -94.817
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -617.500982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.500982 (E_RNA)
where:
Base-Base interactions energy: -271.671
where: short stacking energy: -183.134
Base-Backbone interact. energy: -3.045
local terms energy: -342.785403
where:
bonds (distance) C4'-P energy: -106.151
bonds (distance) P-C4' energy: -106.089
flat angles C4'-P-C4' energy: -89.787
flat angles P-C4'-P energy: -58.261
tors. eta vs tors. theta energy: 17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -475.478380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.478380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.478380 (E_RNA)
where:
Base-Base interactions energy: -164.168
where: short stacking energy: -121.579
Base-Backbone interact. energy: -0.599
local terms energy: -310.711715
where:
bonds (distance) C4'-P energy: -93.199
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -73.068
flat angles P-C4'-P energy: -54.527
tors. eta vs tors. theta energy: 18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2182.960665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.960665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.960665 (E_RNA)
where:
Base-Base interactions energy: -1520.814
where: short stacking energy: -609.965
Base-Backbone interact. energy: -2.042
local terms energy: -660.105307
where:
bonds (distance) C4'-P energy: -107.784
bonds (distance) P-C4' energy: -131.570
flat angles C4'-P-C4' energy: -133.687
flat angles P-C4'-P energy: -99.904
tors. eta vs tors. theta energy: -187.161
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: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2050.957240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.957240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.957240 (E_RNA)
where:
Base-Base interactions energy: -1416.417
where: short stacking energy: -593.405
Base-Backbone interact. energy: -3.227
local terms energy: -631.313731
where:
bonds (distance) C4'-P energy: -118.890
bonds (distance) P-C4' energy: -117.817
flat angles C4'-P-C4' energy: -128.084
flat angles P-C4'-P energy: -81.792
tors. eta vs tors. theta energy: -184.731
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: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1967.707089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.707089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.707089 (E_RNA)
where:
Base-Base interactions energy: -1345.432
where: short stacking energy: -552.205
Base-Backbone interact. energy: -4.493
local terms energy: -617.782483
where:
bonds (distance) C4'-P energy: -111.151
bonds (distance) P-C4' energy: -111.004
flat angles C4'-P-C4' energy: -137.119
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -169.170
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: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1820.290036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.290036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.290036 (E_RNA)
where:
Base-Base interactions energy: -1231.991
where: short stacking energy: -515.165
Base-Backbone interact. energy: -1.696
local terms energy: -586.602619
where:
bonds (distance) C4'-P energy: -112.687
bonds (distance) P-C4' energy: -123.359
flat angles C4'-P-C4' energy: -124.030
flat angles P-C4'-P energy: -81.238
tors. eta vs tors. theta energy: -145.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1729.543812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.543812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.543812 (E_RNA)
where:
Base-Base interactions energy: -1146.006
where: short stacking energy: -480.452
Base-Backbone interact. energy: 0.027
local terms energy: -583.564570
where:
bonds (distance) C4'-P energy: -108.315
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -131.970
flat angles P-C4'-P energy: -91.092
tors. eta vs tors. theta energy: -133.144
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: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1454.541098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.541098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.541098 (E_RNA)
where:
Base-Base interactions energy: -949.305
where: short stacking energy: -406.823
Base-Backbone interact. energy: -0.956
local terms energy: -504.280753
where:
bonds (distance) C4'-P energy: -113.222
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -104.874
flat angles P-C4'-P energy: -65.475
tors. eta vs tors. theta energy: -110.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1105.520753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.520753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.520753 (E_RNA)
where:
Base-Base interactions energy: -678.283
where: short stacking energy: -319.886
Base-Backbone interact. energy: -0.288
local terms energy: -426.949409
where:
bonds (distance) C4'-P energy: -114.337
bonds (distance) P-C4' energy: -81.854
flat angles C4'-P-C4' energy: -100.492
flat angles P-C4'-P energy: -66.047
tors. eta vs tors. theta energy: -64.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -946.250905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.250905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.250905 (E_RNA)
where:
Base-Base interactions energy: -538.419
where: short stacking energy: -255.491
Base-Backbone interact. energy: -6.231
local terms energy: -401.600504
where:
bonds (distance) C4'-P energy: -108.057
bonds (distance) P-C4' energy: -109.802
flat angles C4'-P-C4' energy: -92.542
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -34.027
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: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -607.881290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.881290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.881290 (E_RNA)
where:
Base-Base interactions energy: -296.414
where: short stacking energy: -165.764
Base-Backbone interact. energy: 3.121
local terms energy: -314.587868
where:
bonds (distance) C4'-P energy: -96.777
bonds (distance) P-C4' energy: -90.985
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -47.880
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -465.716777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.716777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.716777 (E_RNA)
where:
Base-Base interactions energy: -165.205
where: short stacking energy: -128.638
Base-Backbone interact. energy: 2.968
local terms energy: -303.480051
where:
bonds (distance) C4'-P energy: -97.134
bonds (distance) P-C4' energy: -104.330
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -51.104
tors. eta vs tors. theta energy: 17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2156.001333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.001333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.001333 (E_RNA)
where:
Base-Base interactions energy: -1494.230
where: short stacking energy: -599.899
Base-Backbone interact. energy: 0.516
local terms energy: -662.286886
where:
bonds (distance) C4'-P energy: -123.032
bonds (distance) P-C4' energy: -127.772
flat angles C4'-P-C4' energy: -139.788
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -182.310
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: 319
Temperature: 0.950000
Total energy: -2067.392737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.392737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.392737 (E_RNA)
where:
Base-Base interactions energy: -1452.267
where: short stacking energy: -599.909
Base-Backbone interact. energy: -0.632
local terms energy: -614.494210
where:
bonds (distance) C4'-P energy: -100.012
bonds (distance) P-C4' energy: -113.684
flat angles C4'-P-C4' energy: -129.319
flat angles P-C4'-P energy: -91.515
tors. eta vs tors. theta energy: -179.964
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: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1978.941020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.941020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.941020 (E_RNA)
where:
Base-Base interactions energy: -1381.551
where: short stacking energy: -571.544
Base-Backbone interact. energy: 2.239
local terms energy: -599.628381
where:
bonds (distance) C4'-P energy: -93.565
bonds (distance) P-C4' energy: -128.103
flat angles C4'-P-C4' energy: -131.068
flat angles P-C4'-P energy: -72.563
tors. eta vs tors. theta energy: -174.330
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1844.496304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.496304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.496304 (E_RNA)
where:
Base-Base interactions energy: -1252.952
where: short stacking energy: -541.937
Base-Backbone interact. energy: -2.756
local terms energy: -588.788805
where:
bonds (distance) C4'-P energy: -102.531
bonds (distance) P-C4' energy: -117.132
flat angles C4'-P-C4' energy: -130.750
flat angles P-C4'-P energy: -69.949
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1699.634052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.634052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.634052 (E_RNA)
where:
Base-Base interactions energy: -1154.935
where: short stacking energy: -498.811
Base-Backbone interact. energy: 0.974
local terms energy: -545.673132
where:
bonds (distance) C4'-P energy: -106.204
bonds (distance) P-C4' energy: -108.415
flat angles C4'-P-C4' energy: -109.649
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -140.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1439.040709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.040709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.040709 (E_RNA)
where:
Base-Base interactions energy: -924.937
where: short stacking energy: -410.555
Base-Backbone interact. energy: 2.558
local terms energy: -516.661503
where:
bonds (distance) C4'-P energy: -104.753
bonds (distance) P-C4' energy: -116.930
flat angles C4'-P-C4' energy: -121.222
flat angles P-C4'-P energy: -62.684
tors. eta vs tors. theta energy: -111.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1059.338588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.338588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.338588 (E_RNA)
where:
Base-Base interactions energy: -632.035
where: short stacking energy: -286.650
Base-Backbone interact. energy: -0.649
local terms energy: -426.655077
where:
bonds (distance) C4'-P energy: -98.496
bonds (distance) P-C4' energy: -97.624
flat angles C4'-P-C4' energy: -101.217
flat angles P-C4'-P energy: -72.523
tors. eta vs tors. theta energy: -56.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -951.209228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.209228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.209228 (E_RNA)
where:
Base-Base interactions energy: -552.082
where: short stacking energy: -267.881
Base-Backbone interact. energy: -2.334
local terms energy: -396.793549
where:
bonds (distance) C4'-P energy: -103.935
bonds (distance) P-C4' energy: -97.857
flat angles C4'-P-C4' energy: -102.434
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -36.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -620.511599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.511599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.511599 (E_RNA)
where:
Base-Base interactions energy: -260.801
where: short stacking energy: -144.226
Base-Backbone interact. energy: 3.812
local terms energy: -363.522366
where:
bonds (distance) C4'-P energy: -124.262
bonds (distance) P-C4' energy: -108.202
flat angles C4'-P-C4' energy: -93.969
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: 21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -460.058379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.058379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.058379 (E_RNA)
where:
Base-Base interactions energy: -149.099
where: short stacking energy: -122.123
Base-Backbone interact. energy: 4.082
local terms energy: -315.041792
where:
bonds (distance) C4'-P energy: -130.724
bonds (distance) P-C4' energy: -109.238
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -31.407
tors. eta vs tors. theta energy: 35.679
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: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2166.930693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.930693 (E_RNA)
where:
Base-Base interactions energy: -1518.043
where: short stacking energy: -603.599
Base-Backbone interact. energy: -1.467
local terms energy: -647.420516
where:
bonds (distance) C4'-P energy: -122.081
bonds (distance) P-C4' energy: -120.342
flat angles C4'-P-C4' energy: -138.983
flat angles P-C4'-P energy: -87.579
tors. eta vs tors. theta energy: -178.436
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2099.400755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.400755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.400755 (E_RNA)
where:
Base-Base interactions energy: -1455.417
where: short stacking energy: -595.200
Base-Backbone interact. energy: -2.312
local terms energy: -641.671637
where:
bonds (distance) C4'-P energy: -126.702
bonds (distance) P-C4' energy: -109.981
flat angles C4'-P-C4' energy: -135.603
flat angles P-C4'-P energy: -92.406
tors. eta vs tors. theta energy: -176.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1976.238606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.238606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.238606 (E_RNA)
where:
Base-Base interactions energy: -1363.455
where: short stacking energy: -559.472
Base-Backbone interact. energy: 0.770
local terms energy: -613.553266
where:
bonds (distance) C4'-P energy: -116.588
bonds (distance) P-C4' energy: -102.454
flat angles C4'-P-C4' energy: -127.753
flat angles P-C4'-P energy: -94.417
tors. eta vs tors. theta energy: -172.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1861.543699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.543699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.543699 (E_RNA)
where:
Base-Base interactions energy: -1267.400
where: short stacking energy: -533.638
Base-Backbone interact. energy: -3.084
local terms energy: -591.058968
where:
bonds (distance) C4'-P energy: -106.221
bonds (distance) P-C4' energy: -126.463
flat angles C4'-P-C4' energy: -131.190
flat angles P-C4'-P energy: -76.225
tors. eta vs tors. theta energy: -150.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1696.769666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.769666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.769666 (E_RNA)
where:
Base-Base interactions energy: -1129.213
where: short stacking energy: -491.675
Base-Backbone interact. energy: -2.186
local terms energy: -565.370268
where:
bonds (distance) C4'-P energy: -109.169
bonds (distance) P-C4' energy: -118.354
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -78.226
tors. eta vs tors. theta energy: -140.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1447.964107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.964107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.964107 (E_RNA)
where:
Base-Base interactions energy: -954.686
where: short stacking energy: -431.842
Base-Backbone interact. energy: 0.136
local terms energy: -493.414244
where:
bonds (distance) C4'-P energy: -99.573
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -126.852
flat angles P-C4'-P energy: -58.256
tors. eta vs tors. theta energy: -113.858
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: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1047.550550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.550550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.550550 (E_RNA)
where:
Base-Base interactions energy: -605.012
where: short stacking energy: -294.371
Base-Backbone interact. energy: 2.853
local terms energy: -445.391654
where:
bonds (distance) C4'-P energy: -90.191
bonds (distance) P-C4' energy: -109.477
flat angles C4'-P-C4' energy: -117.569
flat angles P-C4'-P energy: -69.945
tors. eta vs tors. theta energy: -58.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -903.310345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.310345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.310345 (E_RNA)
where:
Base-Base interactions energy: -511.716
where: short stacking energy: -253.551
Base-Backbone interact. energy: 0.315
local terms energy: -391.909043
where:
bonds (distance) C4'-P energy: -95.903
bonds (distance) P-C4' energy: -115.042
flat angles C4'-P-C4' energy: -90.659
flat angles P-C4'-P energy: -58.924
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -646.504984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.504984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.504984 (E_RNA)
where:
Base-Base interactions energy: -288.605
where: short stacking energy: -161.051
Base-Backbone interact. energy: -0.495
local terms energy: -357.405268
where:
bonds (distance) C4'-P energy: -100.060
bonds (distance) P-C4' energy: -112.659
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -62.860
tors. eta vs tors. theta energy: 8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -471.896371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.896371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.896371 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -127.539
Base-Backbone interact. energy: 0.064
local terms energy: -325.330804
where:
bonds (distance) C4'-P energy: -100.211
bonds (distance) P-C4' energy: -103.280
flat angles C4'-P-C4' energy: -92.098
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: 16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2187.767922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.767922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.767922 (E_RNA)
where:
Base-Base interactions energy: -1525.868
where: short stacking energy: -588.016
Base-Backbone interact. energy: -3.538
local terms energy: -658.361569
where:
bonds (distance) C4'-P energy: -116.177
bonds (distance) P-C4' energy: -130.768
flat angles C4'-P-C4' energy: -144.556
flat angles P-C4'-P energy: -90.432
tors. eta vs tors. theta energy: -176.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2076.922371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.922371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.922371 (E_RNA)
where:
Base-Base interactions energy: -1446.489
where: short stacking energy: -592.547
Base-Backbone interact. energy: -4.147
local terms energy: -626.286316
where:
bonds (distance) C4'-P energy: -94.188
bonds (distance) P-C4' energy: -113.182
flat angles C4'-P-C4' energy: -134.502
flat angles P-C4'-P energy: -101.441
tors. eta vs tors. theta energy: -182.972
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: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1965.435383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.435383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.435383 (E_RNA)
where:
Base-Base interactions energy: -1351.602
where: short stacking energy: -557.818
Base-Backbone interact. energy: -3.469
local terms energy: -610.364369
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -103.169
flat angles C4'-P-C4' energy: -124.375
flat angles P-C4'-P energy: -88.344
tors. eta vs tors. theta energy: -182.171
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1859.946077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.946077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.946077 (E_RNA)
where:
Base-Base interactions energy: -1251.274
where: short stacking energy: -536.461
Base-Backbone interact. energy: -1.058
local terms energy: -607.613603
where:
bonds (distance) C4'-P energy: -97.262
bonds (distance) P-C4' energy: -109.024
flat angles C4'-P-C4' energy: -135.985
flat angles P-C4'-P energy: -91.287
tors. eta vs tors. theta energy: -174.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1730.832854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.832854 (E_RNA)
where:
Base-Base interactions energy: -1171.097
where: short stacking energy: -508.740
Base-Backbone interact. energy: 1.507
local terms energy: -561.243053
where:
bonds (distance) C4'-P energy: -110.064
bonds (distance) P-C4' energy: -118.241
flat angles C4'-P-C4' energy: -119.854
flat angles P-C4'-P energy: -72.771
tors. eta vs tors. theta energy: -140.312
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1538.440476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.440476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.440476 (E_RNA)
where:
Base-Base interactions energy: -1003.919
where: short stacking energy: -450.170
Base-Backbone interact. energy: 1.663
local terms energy: -536.184074
where:
bonds (distance) C4'-P energy: -111.193
bonds (distance) P-C4' energy: -102.114
flat angles C4'-P-C4' energy: -119.903
flat angles P-C4'-P energy: -80.164
tors. eta vs tors. theta energy: -122.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1097.309215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.309215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.309215 (E_RNA)
where:
Base-Base interactions energy: -657.635
where: short stacking energy: -323.938
Base-Backbone interact. energy: 1.500
local terms energy: -441.173838
where:
bonds (distance) C4'-P energy: -90.471
bonds (distance) P-C4' energy: -96.170
flat angles C4'-P-C4' energy: -101.794
flat angles P-C4'-P energy: -79.185
tors. eta vs tors. theta energy: -73.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -881.575792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.575792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.575792 (E_RNA)
where:
Base-Base interactions energy: -520.495
where: short stacking energy: -248.500
Base-Backbone interact. energy: -1.216
local terms energy: -359.865029
where:
bonds (distance) C4'-P energy: -102.853
bonds (distance) P-C4' energy: -103.118
flat angles C4'-P-C4' energy: -72.385
flat angles P-C4'-P energy: -51.942
tors. eta vs tors. theta energy: -29.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -591.345618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.345618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.345618 (E_RNA)
where:
Base-Base interactions energy: -236.485
where: short stacking energy: -166.576
Base-Backbone interact. energy: -0.732
local terms energy: -354.129011
where:
bonds (distance) C4'-P energy: -115.414
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -68.407
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -17.904
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: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -454.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.100680 (E_RNA)
where:
Base-Base interactions energy: -175.191
where: short stacking energy: -113.054
Base-Backbone interact. energy: -0.644
local terms energy: -278.265083
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -67.673
flat angles P-C4'-P energy: -38.357
tors. eta vs tors. theta energy: 27.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2193.567407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.567407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.567407 (E_RNA)
where:
Base-Base interactions energy: -1537.714
where: short stacking energy: -630.039
Base-Backbone interact. energy: -3.700
local terms energy: -652.153249
where:
bonds (distance) C4'-P energy: -128.669
bonds (distance) P-C4' energy: -113.496
flat angles C4'-P-C4' energy: -148.390
flat angles P-C4'-P energy: -84.540
tors. eta vs tors. theta energy: -177.059
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: 322
Temperature: 0.950000
Total energy: -2088.923637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.923637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.923637 (E_RNA)
where:
Base-Base interactions energy: -1441.667
where: short stacking energy: -576.471
Base-Backbone interact. energy: -2.901
local terms energy: -644.356004
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -122.756
flat angles C4'-P-C4' energy: -143.035
flat angles P-C4'-P energy: -90.321
tors. eta vs tors. theta energy: -181.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1946.988954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.988954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.988954 (E_RNA)
where:
Base-Base interactions energy: -1324.526
where: short stacking energy: -569.138
Base-Backbone interact. energy: -0.099
local terms energy: -622.363541
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -130.844
flat angles C4'-P-C4' energy: -120.253
flat angles P-C4'-P energy: -88.057
tors. eta vs tors. theta energy: -173.324
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: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1806.715172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.715172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.715172 (E_RNA)
where:
Base-Base interactions energy: -1235.856
where: short stacking energy: -501.688
Base-Backbone interact. energy: -3.244
local terms energy: -567.615424
where:
bonds (distance) C4'-P energy: -112.939
bonds (distance) P-C4' energy: -101.277
flat angles C4'-P-C4' energy: -131.169
flat angles P-C4'-P energy: -82.008
tors. eta vs tors. theta energy: -140.222
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: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1707.172214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.172214 (E_RNA)
where:
Base-Base interactions energy: -1167.392
where: short stacking energy: -503.574
Base-Backbone interact. energy: -3.189
local terms energy: -536.591662
where:
bonds (distance) C4'-P energy: -97.612
bonds (distance) P-C4' energy: -109.277
flat angles C4'-P-C4' energy: -117.752
flat angles P-C4'-P energy: -74.648
tors. eta vs tors. theta energy: -137.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1636.013033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.013033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.013033 (E_RNA)
where:
Base-Base interactions energy: -1088.304
where: short stacking energy: -511.150
Base-Backbone interact. energy: -1.766
local terms energy: -545.942842
where:
bonds (distance) C4'-P energy: -99.152
bonds (distance) P-C4' energy: -103.968
flat angles C4'-P-C4' energy: -118.056
flat angles P-C4'-P energy: -71.304
tors. eta vs tors. theta energy: -153.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1080.309189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.309189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.309189 (E_RNA)
where:
Base-Base interactions energy: -660.550
where: short stacking energy: -300.143
Base-Backbone interact. energy: -0.391
local terms energy: -419.367674
where:
bonds (distance) C4'-P energy: -96.858
bonds (distance) P-C4' energy: -109.831
flat angles C4'-P-C4' energy: -101.446
flat angles P-C4'-P energy: -67.133
tors. eta vs tors. theta energy: -44.099
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: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1016.108730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.108730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.108730 (E_RNA)
where:
Base-Base interactions energy: -624.868
where: short stacking energy: -275.186
Base-Backbone interact. energy: -2.530
local terms energy: -388.711390
where:
bonds (distance) C4'-P energy: -93.074
bonds (distance) P-C4' energy: -96.309
flat angles C4'-P-C4' energy: -94.552
flat angles P-C4'-P energy: -67.317
tors. eta vs tors. theta energy: -37.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -598.158703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.158703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.158703 (E_RNA)
where:
Base-Base interactions energy: -264.528
where: short stacking energy: -158.278
Base-Backbone interact. energy: -3.281
local terms energy: -330.349919
where:
bonds (distance) C4'-P energy: -90.494
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -83.098
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: 18.376
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: 322
Temperature: 1.350000
Total energy: -484.473894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.473894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.473894 (E_RNA)
where:
Base-Base interactions energy: -194.739
where: short stacking energy: -125.988
Base-Backbone interact. energy: 1.108
local terms energy: -290.842772
where:
bonds (distance) C4'-P energy: -97.656
bonds (distance) P-C4' energy: -102.753
flat angles C4'-P-C4' energy: -79.963
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: 24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2175.893673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.893673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.893673 (E_RNA)
where:
Base-Base interactions energy: -1520.925
where: short stacking energy: -604.797
Base-Backbone interact. energy: -3.167
local terms energy: -651.801139
where:
bonds (distance) C4'-P energy: -114.441
bonds (distance) P-C4' energy: -121.891
flat angles C4'-P-C4' energy: -144.622
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -175.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2079.300250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.300250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.300250 (E_RNA)
where:
Base-Base interactions energy: -1436.878
where: short stacking energy: -603.229
Base-Backbone interact. energy: -2.234
local terms energy: -640.188920
where:
bonds (distance) C4'-P energy: -112.711
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -127.655
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -189.591
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: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1979.956518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.956518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.956518 (E_RNA)
where:
Base-Base interactions energy: -1360.593
where: short stacking energy: -542.985
Base-Backbone interact. energy: -1.214
local terms energy: -618.150404
where:
bonds (distance) C4'-P energy: -98.195
bonds (distance) P-C4' energy: -116.191
flat angles C4'-P-C4' energy: -130.549
flat angles P-C4'-P energy: -94.164
tors. eta vs tors. theta energy: -179.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1833.211329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.211329 (E_RNA)
where:
Base-Base interactions energy: -1227.720
where: short stacking energy: -517.398
Base-Backbone interact. energy: -2.241
local terms energy: -603.250556
where:
bonds (distance) C4'-P energy: -120.956
bonds (distance) P-C4' energy: -100.516
flat angles C4'-P-C4' energy: -135.774
flat angles P-C4'-P energy: -86.005
tors. eta vs tors. theta energy: -159.999
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: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1672.653742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.653742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.653742 (E_RNA)
where:
Base-Base interactions energy: -1144.805
where: short stacking energy: -463.169
Base-Backbone interact. energy: -0.774
local terms energy: -527.074472
where:
bonds (distance) C4'-P energy: -109.343
bonds (distance) P-C4' energy: -107.209
flat angles C4'-P-C4' energy: -110.704
flat angles P-C4'-P energy: -66.574
tors. eta vs tors. theta energy: -133.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1642.771840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.771840 (E_RNA)
where:
Base-Base interactions energy: -1084.918
where: short stacking energy: -476.837
Base-Backbone interact. energy: -0.673
local terms energy: -557.181636
where:
bonds (distance) C4'-P energy: -115.315
bonds (distance) P-C4' energy: -97.518
flat angles C4'-P-C4' energy: -129.454
flat angles P-C4'-P energy: -65.588
tors. eta vs tors. theta energy: -149.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1083.083000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.083000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.083000 (E_RNA)
where:
Base-Base interactions energy: -651.480
where: short stacking energy: -305.966
Base-Backbone interact. energy: 0.547
local terms energy: -432.150186
where:
bonds (distance) C4'-P energy: -101.599
bonds (distance) P-C4' energy: -99.548
flat angles C4'-P-C4' energy: -105.868
flat angles P-C4'-P energy: -62.904
tors. eta vs tors. theta energy: -62.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -940.735589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.735589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.735589 (E_RNA)
where:
Base-Base interactions energy: -573.274
where: short stacking energy: -259.571
Base-Backbone interact. energy: 3.082
local terms energy: -370.544206
where:
bonds (distance) C4'-P energy: -98.131
bonds (distance) P-C4' energy: -85.395
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -68.186
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -630.459137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.459137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.459137 (E_RNA)
where:
Base-Base interactions energy: -281.725
where: short stacking energy: -161.428
Base-Backbone interact. energy: -0.127
local terms energy: -348.607192
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -89.868
flat angles P-C4'-P energy: -52.608
tors. eta vs tors. theta energy: -11.282
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: 323
Temperature: 1.350000
Total energy: -516.873465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.873465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.873465 (E_RNA)
where:
Base-Base interactions energy: -201.005
where: short stacking energy: -153.115
Base-Backbone interact. energy: 0.993
local terms energy: -316.861484
where:
bonds (distance) C4'-P energy: -106.057
bonds (distance) P-C4' energy: -100.767
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: 13.382
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2154.104079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.104079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.104079 (E_RNA)
where:
Base-Base interactions energy: -1507.970
where: short stacking energy: -594.252
Base-Backbone interact. energy: 0.315
local terms energy: -646.449297
where:
bonds (distance) C4'-P energy: -125.785
bonds (distance) P-C4' energy: -124.258
flat angles C4'-P-C4' energy: -146.512
flat angles P-C4'-P energy: -84.121
tors. eta vs tors. theta energy: -165.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2071.133181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.133181 (E_RNA)
where:
Base-Base interactions energy: -1416.625
where: short stacking energy: -567.646
Base-Backbone interact. energy: -3.928
local terms energy: -650.580282
where:
bonds (distance) C4'-P energy: -124.932
bonds (distance) P-C4' energy: -116.368
flat angles C4'-P-C4' energy: -139.777
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -175.804
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: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1983.059740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.059740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.059740 (E_RNA)
where:
Base-Base interactions energy: -1357.995
where: short stacking energy: -532.079
Base-Backbone interact. energy: -3.031
local terms energy: -622.033792
where:
bonds (distance) C4'-P energy: -110.393
bonds (distance) P-C4' energy: -110.364
flat angles C4'-P-C4' energy: -137.278
flat angles P-C4'-P energy: -91.795
tors. eta vs tors. theta energy: -172.205
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: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1820.005771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.005771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.005771 (E_RNA)
where:
Base-Base interactions energy: -1211.319
where: short stacking energy: -538.806
Base-Backbone interact. energy: -2.470
local terms energy: -606.216958
where:
bonds (distance) C4'-P energy: -116.102
bonds (distance) P-C4' energy: -120.684
flat angles C4'-P-C4' energy: -128.939
flat angles P-C4'-P energy: -85.689
tors. eta vs tors. theta energy: -154.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1710.064245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.064245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.064245 (E_RNA)
where:
Base-Base interactions energy: -1140.639
where: short stacking energy: -484.786
Base-Backbone interact. energy: -1.460
local terms energy: -567.965902
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -117.895
flat angles C4'-P-C4' energy: -113.825
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -160.287
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1586.047565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.047565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.047565 (E_RNA)
where:
Base-Base interactions energy: -1043.753
where: short stacking energy: -424.516
Base-Backbone interact. energy: -1.550
local terms energy: -540.744588
where:
bonds (distance) C4'-P energy: -96.611
bonds (distance) P-C4' energy: -128.428
flat angles C4'-P-C4' energy: -122.383
flat angles P-C4'-P energy: -83.835
tors. eta vs tors. theta energy: -109.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1109.361572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.361572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.361572 (E_RNA)
where:
Base-Base interactions energy: -682.597
where: short stacking energy: -309.157
Base-Backbone interact. energy: 1.073
local terms energy: -427.838347
where:
bonds (distance) C4'-P energy: -104.994
bonds (distance) P-C4' energy: -114.210
flat angles C4'-P-C4' energy: -105.998
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -45.398
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: 324
Temperature: 1.250000
Total energy: -962.139374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.139374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.139374 (E_RNA)
where:
Base-Base interactions energy: -563.153
where: short stacking energy: -257.986
Base-Backbone interact. energy: 8.474
local terms energy: -407.460160
where:
bonds (distance) C4'-P energy: -105.056
bonds (distance) P-C4' energy: -95.977
flat angles C4'-P-C4' energy: -100.218
flat angles P-C4'-P energy: -69.238
tors. eta vs tors. theta energy: -36.970
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: 324
Temperature: 1.300000
Total energy: -569.978462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.978462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.978462 (E_RNA)
where:
Base-Base interactions energy: -252.972
where: short stacking energy: -160.947
Base-Backbone interact. energy: 1.249
local terms energy: -318.255157
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -115.580
flat angles C4'-P-C4' energy: -93.575
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: 17.841
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: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -618.527184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.527184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.527184 (E_RNA)
where:
Base-Base interactions energy: -284.731
where: short stacking energy: -161.694
Base-Backbone interact. energy: 1.707
local terms energy: -335.503170
where:
bonds (distance) C4'-P energy: -92.040
bonds (distance) P-C4' energy: -111.357
flat angles C4'-P-C4' energy: -81.198
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: 12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2148.557056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.557056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.557056 (E_RNA)
where:
Base-Base interactions energy: -1503.840
where: short stacking energy: -603.635
Base-Backbone interact. energy: -2.485
local terms energy: -642.232260
where:
bonds (distance) C4'-P energy: -124.250
bonds (distance) P-C4' energy: -125.902
flat angles C4'-P-C4' energy: -137.246
flat angles P-C4'-P energy: -85.369
tors. eta vs tors. theta energy: -169.465
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: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2061.373220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.373220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.373220 (E_RNA)
where:
Base-Base interactions energy: -1415.879
where: short stacking energy: -589.643
Base-Backbone interact. energy: -3.820
local terms energy: -641.675064
where:
bonds (distance) C4'-P energy: -115.014
bonds (distance) P-C4' energy: -119.165
flat angles C4'-P-C4' energy: -140.172
flat angles P-C4'-P energy: -84.186
tors. eta vs tors. theta energy: -183.139
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: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1959.037933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.037933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.037933 (E_RNA)
where:
Base-Base interactions energy: -1319.371
where: short stacking energy: -533.113
Base-Backbone interact. energy: -3.846
local terms energy: -635.820611
where:
bonds (distance) C4'-P energy: -133.125
bonds (distance) P-C4' energy: -122.542
flat angles C4'-P-C4' energy: -127.590
flat angles P-C4'-P energy: -78.357
tors. eta vs tors. theta energy: -174.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1828.737655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.737655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.737655 (E_RNA)
where:
Base-Base interactions energy: -1221.989
where: short stacking energy: -504.217
Base-Backbone interact. energy: -3.726
local terms energy: -603.022378
where:
bonds (distance) C4'-P energy: -120.462
bonds (distance) P-C4' energy: -119.527
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -91.050
tors. eta vs tors. theta energy: -143.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1680.719904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.719904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.719904 (E_RNA)
where:
Base-Base interactions energy: -1117.079
where: short stacking energy: -486.552
Base-Backbone interact. energy: 0.698
local terms energy: -564.338799
where:
bonds (distance) C4'-P energy: -113.047
bonds (distance) P-C4' energy: -116.214
flat angles C4'-P-C4' energy: -111.823
flat angles P-C4'-P energy: -81.329
tors. eta vs tors. theta energy: -141.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1567.382927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.382927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.382927 (E_RNA)
where:
Base-Base interactions energy: -1041.577
where: short stacking energy: -434.879
Base-Backbone interact. energy: 0.194
local terms energy: -525.999964
where:
bonds (distance) C4'-P energy: -108.883
bonds (distance) P-C4' energy: -114.474
flat angles C4'-P-C4' energy: -109.270
flat angles P-C4'-P energy: -69.355
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1067.616914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.616914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.616914 (E_RNA)
where:
Base-Base interactions energy: -646.678
where: short stacking energy: -305.965
Base-Backbone interact. energy: 0.762
local terms energy: -421.701522
where:
bonds (distance) C4'-P energy: -107.341
bonds (distance) P-C4' energy: -88.207
flat angles C4'-P-C4' energy: -119.478
flat angles P-C4'-P energy: -56.523
tors. eta vs tors. theta energy: -50.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -921.269816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.269816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.269816 (E_RNA)
where:
Base-Base interactions energy: -532.394
where: short stacking energy: -258.840
Base-Backbone interact. energy: 8.464
local terms energy: -397.339632
where:
bonds (distance) C4'-P energy: -105.877
bonds (distance) P-C4' energy: -113.257
flat angles C4'-P-C4' energy: -101.139
flat angles P-C4'-P energy: -51.836
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -542.412850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.412850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.412850 (E_RNA)
where:
Base-Base interactions energy: -210.285
where: short stacking energy: -165.474
Base-Backbone interact. energy: 2.680
local terms energy: -334.807539
where:
bonds (distance) C4'-P energy: -97.460
bonds (distance) P-C4' energy: -106.665
flat angles C4'-P-C4' energy: -87.182
flat angles P-C4'-P energy: -47.224
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -601.161850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.161850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.161850 (E_RNA)
where:
Base-Base interactions energy: -272.874
where: short stacking energy: -167.422
Base-Backbone interact. energy: 1.912
local terms energy: -330.200373
where:
bonds (distance) C4'-P energy: -82.825
bonds (distance) P-C4' energy: -112.693
flat angles C4'-P-C4' energy: -90.602
flat angles P-C4'-P energy: -46.865
tors. eta vs tors. theta energy: 2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2151.796232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.796232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.796232 (E_RNA)
where:
Base-Base interactions energy: -1525.815
where: short stacking energy: -608.583
Base-Backbone interact. energy: -2.055
local terms energy: -623.925767
where:
bonds (distance) C4'-P energy: -115.602
bonds (distance) P-C4' energy: -123.467
flat angles C4'-P-C4' energy: -128.396
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -164.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2051.298779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.298779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.298779 (E_RNA)
where:
Base-Base interactions energy: -1418.401
where: short stacking energy: -566.487
Base-Backbone interact. energy: -0.192
local terms energy: -632.705408
where:
bonds (distance) C4'-P energy: -120.868
bonds (distance) P-C4' energy: -113.903
flat angles C4'-P-C4' energy: -132.864
flat angles P-C4'-P energy: -94.998
tors. eta vs tors. theta energy: -170.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1952.747133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.747133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.747133 (E_RNA)
where:
Base-Base interactions energy: -1329.662
where: short stacking energy: -557.143
Base-Backbone interact. energy: -2.473
local terms energy: -620.612994
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -130.900
flat angles P-C4'-P energy: -88.184
tors. eta vs tors. theta energy: -180.488
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: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1828.595706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.595706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.595706 (E_RNA)
where:
Base-Base interactions energy: -1255.954
where: short stacking energy: -519.973
Base-Backbone interact. energy: -2.488
local terms energy: -570.153474
where:
bonds (distance) C4'-P energy: -102.885
bonds (distance) P-C4' energy: -107.182
flat angles C4'-P-C4' energy: -131.651
flat angles P-C4'-P energy: -86.811
tors. eta vs tors. theta energy: -141.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1735.216174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.216174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.216174 (E_RNA)
where:
Base-Base interactions energy: -1152.032
where: short stacking energy: -502.630
Base-Backbone interact. energy: -1.086
local terms energy: -582.098306
where:
bonds (distance) C4'-P energy: -112.317
bonds (distance) P-C4' energy: -107.370
flat angles C4'-P-C4' energy: -120.793
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -164.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1442.967893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.967893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.967893 (E_RNA)
where:
Base-Base interactions energy: -946.081
where: short stacking energy: -384.993
Base-Backbone interact. energy: -3.167
local terms energy: -493.720609
where:
bonds (distance) C4'-P energy: -101.049
bonds (distance) P-C4' energy: -98.892
flat angles C4'-P-C4' energy: -113.785
flat angles P-C4'-P energy: -80.736
tors. eta vs tors. theta energy: -99.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1052.440766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.440766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.440766 (E_RNA)
where:
Base-Base interactions energy: -640.247
where: short stacking energy: -307.946
Base-Backbone interact. energy: -2.026
local terms energy: -410.167711
where:
bonds (distance) C4'-P energy: -114.581
bonds (distance) P-C4' energy: -96.826
flat angles C4'-P-C4' energy: -105.800
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -49.617
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: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -920.556427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.556427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.556427 (E_RNA)
where:
Base-Base interactions energy: -524.323
where: short stacking energy: -252.129
Base-Backbone interact. energy: 0.487
local terms energy: -396.720409
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -107.920
flat angles C4'-P-C4' energy: -101.124
flat angles P-C4'-P energy: -67.423
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -677.898995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.898995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.898995 (E_RNA)
where:
Base-Base interactions energy: -355.850
where: short stacking energy: -185.457
Base-Backbone interact. energy: -1.107
local terms energy: -320.941220
where:
bonds (distance) C4'-P energy: -99.820
bonds (distance) P-C4' energy: -102.095
flat angles C4'-P-C4' energy: -88.796
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -504.790342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.790342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.790342 (E_RNA)
where:
Base-Base interactions energy: -191.335
where: short stacking energy: -133.381
Base-Backbone interact. energy: -1.156
local terms energy: -312.299226
where:
bonds (distance) C4'-P energy: -105.212
bonds (distance) P-C4' energy: -116.364
flat angles C4'-P-C4' energy: -81.769
flat angles P-C4'-P energy: -50.096
tors. eta vs tors. theta energy: 41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2140.705376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.705376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.705376 (E_RNA)
where:
Base-Base interactions energy: -1501.685
where: short stacking energy: -576.438
Base-Backbone interact. energy: -4.315
local terms energy: -634.704742
where:
bonds (distance) C4'-P energy: -109.480
bonds (distance) P-C4' energy: -129.088
flat angles C4'-P-C4' energy: -136.508
flat angles P-C4'-P energy: -96.559
tors. eta vs tors. theta energy: -163.069
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: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2099.931949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.931949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.931949 (E_RNA)
where:
Base-Base interactions energy: -1443.144
where: short stacking energy: -569.283
Base-Backbone interact. energy: -2.530
local terms energy: -654.257897
where:
bonds (distance) C4'-P energy: -129.251
bonds (distance) P-C4' energy: -121.462
flat angles C4'-P-C4' energy: -137.273
flat angles P-C4'-P energy: -84.977
tors. eta vs tors. theta energy: -181.295
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: 327
Temperature: 1.000000
Total energy: -1996.026287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.026287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.026287 (E_RNA)
where:
Base-Base interactions energy: -1372.332
where: short stacking energy: -560.578
Base-Backbone interact. energy: -0.130
local terms energy: -623.564444
where:
bonds (distance) C4'-P energy: -108.022
bonds (distance) P-C4' energy: -120.913
flat angles C4'-P-C4' energy: -128.823
flat angles P-C4'-P energy: -84.857
tors. eta vs tors. theta energy: -180.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1821.486140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.486140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.486140 (E_RNA)
where:
Base-Base interactions energy: -1221.131
where: short stacking energy: -515.328
Base-Backbone interact. energy: -2.104
local terms energy: -598.251244
where:
bonds (distance) C4'-P energy: -119.394
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -131.763
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -144.845
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: 327
Temperature: 1.100000
Total energy: -1689.683088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.683088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.683088 (E_RNA)
where:
Base-Base interactions energy: -1128.477
where: short stacking energy: -516.399
Base-Backbone interact. energy: -0.792
local terms energy: -560.414549
where:
bonds (distance) C4'-P energy: -106.709
bonds (distance) P-C4' energy: -98.603
flat angles C4'-P-C4' energy: -117.382
flat angles P-C4'-P energy: -84.578
tors. eta vs tors. theta energy: -153.141
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1455.072845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.072845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.072845 (E_RNA)
where:
Base-Base interactions energy: -950.358
where: short stacking energy: -386.377
Base-Backbone interact. energy: 1.555
local terms energy: -506.269801
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -110.582
flat angles C4'-P-C4' energy: -114.705
flat angles P-C4'-P energy: -66.066
tors. eta vs tors. theta energy: -106.037
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: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1062.356501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.356501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.356501 (E_RNA)
where:
Base-Base interactions energy: -641.025
where: short stacking energy: -310.541
Base-Backbone interact. energy: 1.260
local terms energy: -422.591497
where:
bonds (distance) C4'-P energy: -103.519
bonds (distance) P-C4' energy: -109.595
flat angles C4'-P-C4' energy: -90.096
flat angles P-C4'-P energy: -59.622
tors. eta vs tors. theta energy: -59.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -902.540494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.540494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.540494 (E_RNA)
where:
Base-Base interactions energy: -488.708
where: short stacking energy: -241.116
Base-Backbone interact. energy: -1.465
local terms energy: -412.367011
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -134.614
flat angles C4'-P-C4' energy: -97.709
flat angles P-C4'-P energy: -64.812
tors. eta vs tors. theta energy: -21.062
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: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -589.462712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.462712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.462712 (E_RNA)
where:
Base-Base interactions energy: -277.609
where: short stacking energy: -139.382
Base-Backbone interact. energy: -2.154
local terms energy: -309.700170
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -74.083
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: 13.621
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: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -543.570538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.570538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.570538 (E_RNA)
where:
Base-Base interactions energy: -206.370
where: short stacking energy: -140.637
Base-Backbone interact. energy: -3.254
local terms energy: -333.946358
where:
bonds (distance) C4'-P energy: -97.781
bonds (distance) P-C4' energy: -105.275
flat angles C4'-P-C4' energy: -78.945
flat angles P-C4'-P energy: -52.897
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2163.079295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.079295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.079295 (E_RNA)
where:
Base-Base interactions energy: -1512.809
where: short stacking energy: -591.958
Base-Backbone interact. energy: -4.311
local terms energy: -645.959749
where:
bonds (distance) C4'-P energy: -123.030
bonds (distance) P-C4' energy: -126.954
flat angles C4'-P-C4' energy: -142.557
flat angles P-C4'-P energy: -87.292
tors. eta vs tors. theta energy: -166.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2102.460337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.460337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.460337 (E_RNA)
where:
Base-Base interactions energy: -1452.005
where: short stacking energy: -587.008
Base-Backbone interact. energy: -1.843
local terms energy: -648.612095
where:
bonds (distance) C4'-P energy: -108.556
bonds (distance) P-C4' energy: -117.400
flat angles C4'-P-C4' energy: -146.193
flat angles P-C4'-P energy: -94.262
tors. eta vs tors. theta energy: -182.202
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: 328
Temperature: 1.000000
Total energy: -1968.079273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.079273 (E_RNA)
where:
Base-Base interactions energy: -1337.723
where: short stacking energy: -560.050
Base-Backbone interact. energy: -2.393
local terms energy: -627.962677
where:
bonds (distance) C4'-P energy: -114.279
bonds (distance) P-C4' energy: -118.375
flat angles C4'-P-C4' energy: -130.286
flat angles P-C4'-P energy: -91.818
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: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1811.145578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.145578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.145578 (E_RNA)
where:
Base-Base interactions energy: -1240.071
where: short stacking energy: -539.979
Base-Backbone interact. energy: -4.753
local terms energy: -566.321623
where:
bonds (distance) C4'-P energy: -92.476
bonds (distance) P-C4' energy: -122.510
flat angles C4'-P-C4' energy: -127.871
flat angles P-C4'-P energy: -74.680
tors. eta vs tors. theta energy: -148.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1715.409437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.409437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.409437 (E_RNA)
where:
Base-Base interactions energy: -1121.771
where: short stacking energy: -495.027
Base-Backbone interact. energy: 2.521
local terms energy: -596.159175
where:
bonds (distance) C4'-P energy: -133.462
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -132.623
flat angles P-C4'-P energy: -66.113
tors. eta vs tors. theta energy: -152.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1417.340659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.340659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.340659 (E_RNA)
where:
Base-Base interactions energy: -930.329
where: short stacking energy: -388.566
Base-Backbone interact. energy: -1.013
local terms energy: -485.998756
where:
bonds (distance) C4'-P energy: -92.934
bonds (distance) P-C4' energy: -102.851
flat angles C4'-P-C4' energy: -112.488
flat angles P-C4'-P energy: -77.043
tors. eta vs tors. theta energy: -100.682
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1036.338279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.338279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.338279 (E_RNA)
where:
Base-Base interactions energy: -620.049
where: short stacking energy: -305.124
Base-Backbone interact. energy: -1.463
local terms energy: -414.826284
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -105.908
flat angles C4'-P-C4' energy: -108.333
flat angles P-C4'-P energy: -63.244
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -877.272048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.272048 (E_RNA)
where:
Base-Base interactions energy: -501.366
where: short stacking energy: -243.491
Base-Backbone interact. energy: 0.662
local terms energy: -376.568342
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -90.586
flat angles C4'-P-C4' energy: -86.582
flat angles P-C4'-P energy: -65.689
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -554.197694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.197694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.197694 (E_RNA)
where:
Base-Base interactions energy: -236.385
where: short stacking energy: -144.033
Base-Backbone interact. energy: 4.034
local terms energy: -321.846298
where:
bonds (distance) C4'-P energy: -97.862
bonds (distance) P-C4' energy: -107.321
flat angles C4'-P-C4' energy: -94.882
flat angles P-C4'-P energy: -40.894
tors. eta vs tors. theta energy: 19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -569.919294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.919294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.919294 (E_RNA)
where:
Base-Base interactions energy: -248.211
where: short stacking energy: -157.192
Base-Backbone interact. energy: -4.029
local terms energy: -317.679307
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -106.593
flat angles C4'-P-C4' energy: -83.006
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: 4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2162.345484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.345484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.345484 (E_RNA)
where:
Base-Base interactions energy: -1516.511
where: short stacking energy: -581.485
Base-Backbone interact. energy: -2.321
local terms energy: -643.513535
where:
bonds (distance) C4'-P energy: -126.579
bonds (distance) P-C4' energy: -124.504
flat angles C4'-P-C4' energy: -133.357
flat angles P-C4'-P energy: -95.478
tors. eta vs tors. theta energy: -163.596
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2029.198478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.198478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.198478 (E_RNA)
where:
Base-Base interactions energy: -1385.133
where: short stacking energy: -583.887
Base-Backbone interact. energy: -3.645
local terms energy: -640.419993
where:
bonds (distance) C4'-P energy: -120.831
bonds (distance) P-C4' energy: -108.187
flat angles C4'-P-C4' energy: -130.726
flat angles P-C4'-P energy: -98.120
tors. eta vs tors. theta energy: -182.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1967.930282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.930282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.930282 (E_RNA)
where:
Base-Base interactions energy: -1360.701
where: short stacking energy: -558.216
Base-Backbone interact. energy: -0.975
local terms energy: -606.254266
where:
bonds (distance) C4'-P energy: -114.548
bonds (distance) P-C4' energy: -103.995
flat angles C4'-P-C4' energy: -134.626
flat angles P-C4'-P energy: -80.957
tors. eta vs tors. theta energy: -172.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1787.653524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.653524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.653524 (E_RNA)
where:
Base-Base interactions energy: -1218.876
where: short stacking energy: -527.469
Base-Backbone interact. energy: -0.365
local terms energy: -568.412242
where:
bonds (distance) C4'-P energy: -91.636
bonds (distance) P-C4' energy: -102.351
flat angles C4'-P-C4' energy: -143.321
flat angles P-C4'-P energy: -81.863
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: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1688.891849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.891849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.891849 (E_RNA)
where:
Base-Base interactions energy: -1125.334
where: short stacking energy: -477.309
Base-Backbone interact. energy: -0.338
local terms energy: -563.219158
where:
bonds (distance) C4'-P energy: -114.588
bonds (distance) P-C4' energy: -104.836
flat angles C4'-P-C4' energy: -120.530
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -139.320
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1459.002248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.002248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.002248 (E_RNA)
where:
Base-Base interactions energy: -945.239
where: short stacking energy: -374.797
Base-Backbone interact. energy: 1.055
local terms energy: -514.817895
where:
bonds (distance) C4'-P energy: -113.469
bonds (distance) P-C4' energy: -115.334
flat angles C4'-P-C4' energy: -111.561
flat angles P-C4'-P energy: -74.991
tors. eta vs tors. theta energy: -99.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1001.124715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.124715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.124715 (E_RNA)
where:
Base-Base interactions energy: -614.090
where: short stacking energy: -277.449
Base-Backbone interact. energy: 0.627
local terms energy: -387.661383
where:
bonds (distance) C4'-P energy: -89.820
bonds (distance) P-C4' energy: -99.729
flat angles C4'-P-C4' energy: -97.206
flat angles P-C4'-P energy: -65.176
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -854.605655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.605655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.605655 (E_RNA)
where:
Base-Base interactions energy: -509.286
where: short stacking energy: -267.156
Base-Backbone interact. energy: -1.539
local terms energy: -343.780375
where:
bonds (distance) C4'-P energy: -86.246
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -99.609
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -545.225530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.225530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.225530 (E_RNA)
where:
Base-Base interactions energy: -220.849
where: short stacking energy: -151.825
Base-Backbone interact. energy: 0.248
local terms energy: -324.624911
where:
bonds (distance) C4'-P energy: -101.526
bonds (distance) P-C4' energy: -113.784
flat angles C4'-P-C4' energy: -71.829
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: 1.612
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: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -545.113176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.113176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.113176 (E_RNA)
where:
Base-Base interactions energy: -225.865
where: short stacking energy: -137.832
Base-Backbone interact. energy: -2.139
local terms energy: -317.108528
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -117.676
flat angles C4'-P-C4' energy: -78.312
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: 27.689
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: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2164.032176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.032176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.032176 (E_RNA)
where:
Base-Base interactions energy: -1514.255
where: short stacking energy: -597.173
Base-Backbone interact. energy: -5.514
local terms energy: -644.263274
where:
bonds (distance) C4'-P energy: -127.264
bonds (distance) P-C4' energy: -122.572
flat angles C4'-P-C4' energy: -131.593
flat angles P-C4'-P energy: -88.685
tors. eta vs tors. theta energy: -174.149
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: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2094.028145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.028145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.028145 (E_RNA)
where:
Base-Base interactions energy: -1429.254
where: short stacking energy: -596.969
Base-Backbone interact. energy: 0.011
local terms energy: -664.785691
where:
bonds (distance) C4'-P energy: -121.060
bonds (distance) P-C4' energy: -133.755
flat angles C4'-P-C4' energy: -133.676
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -192.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1966.036459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.036459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.036459 (E_RNA)
where:
Base-Base interactions energy: -1348.445
where: short stacking energy: -543.655
Base-Backbone interact. energy: -0.594
local terms energy: -616.997415
where:
bonds (distance) C4'-P energy: -111.468
bonds (distance) P-C4' energy: -117.112
flat angles C4'-P-C4' energy: -130.625
flat angles P-C4'-P energy: -91.687
tors. eta vs tors. theta energy: -166.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1827.087732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.087732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.087732 (E_RNA)
where:
Base-Base interactions energy: -1231.903
where: short stacking energy: -505.778
Base-Backbone interact. energy: -3.324
local terms energy: -591.860920
where:
bonds (distance) C4'-P energy: -115.155
bonds (distance) P-C4' energy: -119.940
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -80.706
tors. eta vs tors. theta energy: -155.567
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: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1693.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.583680 (E_RNA)
where:
Base-Base interactions energy: -1131.136
where: short stacking energy: -497.009
Base-Backbone interact. energy: -2.398
local terms energy: -560.049976
where:
bonds (distance) C4'-P energy: -106.000
bonds (distance) P-C4' energy: -98.759
flat angles C4'-P-C4' energy: -113.200
flat angles P-C4'-P energy: -75.535
tors. eta vs tors. theta energy: -166.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1451.048763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.048763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.048763 (E_RNA)
where:
Base-Base interactions energy: -954.960
where: short stacking energy: -403.555
Base-Backbone interact. energy: -0.793
local terms energy: -495.295153
where:
bonds (distance) C4'-P energy: -98.468
bonds (distance) P-C4' energy: -118.676
flat angles C4'-P-C4' energy: -123.729
flat angles P-C4'-P energy: -54.575
tors. eta vs tors. theta energy: -99.847
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1093.972824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.972824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.972824 (E_RNA)
where:
Base-Base interactions energy: -665.484
where: short stacking energy: -336.849
Base-Backbone interact. energy: -0.320
local terms energy: -428.168794
where:
bonds (distance) C4'-P energy: -97.590
bonds (distance) P-C4' energy: -102.344
flat angles C4'-P-C4' energy: -105.924
flat angles P-C4'-P energy: -63.384
tors. eta vs tors. theta energy: -58.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -911.154015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.154015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.154015 (E_RNA)
where:
Base-Base interactions energy: -507.029
where: short stacking energy: -255.697
Base-Backbone interact. energy: 0.849
local terms energy: -404.974528
where:
bonds (distance) C4'-P energy: -101.864
bonds (distance) P-C4' energy: -105.933
flat angles C4'-P-C4' energy: -107.540
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -28.685
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: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -628.389116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.389116 (E_RNA)
where:
Base-Base interactions energy: -275.084
where: short stacking energy: -186.240
Base-Backbone interact. energy: 2.371
local terms energy: -355.676661
where:
bonds (distance) C4'-P energy: -108.241
bonds (distance) P-C4' energy: -105.502
flat angles C4'-P-C4' energy: -74.677
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: -4.918
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: 330
Temperature: 1.350000
Total energy: -549.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.974928 (E_RNA)
where:
Base-Base interactions energy: -226.877
where: short stacking energy: -175.166
Base-Backbone interact. energy: 0.239
local terms energy: -323.336720
where:
bonds (distance) C4'-P energy: -99.389
bonds (distance) P-C4' energy: -101.476
flat angles C4'-P-C4' energy: -87.456
flat angles P-C4'-P energy: -38.040
tors. eta vs tors. theta energy: 3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2187.573121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.573121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.573121 (E_RNA)
where:
Base-Base interactions energy: -1549.540
where: short stacking energy: -598.694
Base-Backbone interact. energy: -1.042
local terms energy: -636.991086
where:
bonds (distance) C4'-P energy: -116.647
bonds (distance) P-C4' energy: -121.511
flat angles C4'-P-C4' energy: -130.186
flat angles P-C4'-P energy: -96.601
tors. eta vs tors. theta energy: -172.045
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2062.320430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.320430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.320430 (E_RNA)
where:
Base-Base interactions energy: -1423.559
where: short stacking energy: -579.216
Base-Backbone interact. energy: -4.988
local terms energy: -633.773853
where:
bonds (distance) C4'-P energy: -121.628
bonds (distance) P-C4' energy: -119.915
flat angles C4'-P-C4' energy: -136.358
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -184.162
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: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1925.857050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.857050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.857050 (E_RNA)
where:
Base-Base interactions energy: -1326.139
where: short stacking energy: -543.287
Base-Backbone interact. energy: 2.994
local terms energy: -602.712091
where:
bonds (distance) C4'-P energy: -107.313
bonds (distance) P-C4' energy: -120.087
flat angles C4'-P-C4' energy: -129.247
flat angles P-C4'-P energy: -87.588
tors. eta vs tors. theta energy: -158.476
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: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1831.436391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.436391 (E_RNA)
where:
Base-Base interactions energy: -1248.018
where: short stacking energy: -529.790
Base-Backbone interact. energy: -2.712
local terms energy: -580.705786
where:
bonds (distance) C4'-P energy: -96.264
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -130.297
flat angles P-C4'-P energy: -89.450
tors. eta vs tors. theta energy: -148.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1686.849854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.849854 (E_RNA)
where:
Base-Base interactions energy: -1110.646
where: short stacking energy: -470.960
Base-Backbone interact. energy: -1.218
local terms energy: -574.986467
where:
bonds (distance) C4'-P energy: -117.089
bonds (distance) P-C4' energy: -107.508
flat angles C4'-P-C4' energy: -129.155
flat angles P-C4'-P energy: -85.522
tors. eta vs tors. theta energy: -135.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1385.178659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.178659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.178659 (E_RNA)
where:
Base-Base interactions energy: -924.350
where: short stacking energy: -376.594
Base-Backbone interact. energy: -2.491
local terms energy: -458.337755
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -110.247
flat angles C4'-P-C4' energy: -108.623
flat angles P-C4'-P energy: -49.903
tors. eta vs tors. theta energy: -95.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1168.872512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.872512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.872512 (E_RNA)
where:
Base-Base interactions energy: -724.370
where: short stacking energy: -319.581
Base-Backbone interact. energy: 1.686
local terms energy: -446.188572
where:
bonds (distance) C4'-P energy: -95.422
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -110.041
flat angles P-C4'-P energy: -68.462
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -939.186131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.186131 (E_RNA)
where:
Base-Base interactions energy: -545.481
where: short stacking energy: -275.984
Base-Backbone interact. energy: 0.228
local terms energy: -393.932516
where:
bonds (distance) C4'-P energy: -115.181
bonds (distance) P-C4' energy: -99.431
flat angles C4'-P-C4' energy: -97.139
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -27.397
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: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -594.248614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.248614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.248614 (E_RNA)
where:
Base-Base interactions energy: -262.094
where: short stacking energy: -168.431
Base-Backbone interact. energy: -3.667
local terms energy: -328.487272
where:
bonds (distance) C4'-P energy: -103.850
bonds (distance) P-C4' energy: -104.343
flat angles C4'-P-C4' energy: -73.781
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: 12.067
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -487.345491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.345491 (E_RNA)
where:
Base-Base interactions energy: -179.598
where: short stacking energy: -138.184
Base-Backbone interact. energy: -2.784
local terms energy: -304.963540
where:
bonds (distance) C4'-P energy: -89.447
bonds (distance) P-C4' energy: -95.665
flat angles C4'-P-C4' energy: -92.081
flat angles P-C4'-P energy: -51.658
tors. eta vs tors. theta energy: 23.887
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: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2195.254538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.254538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.254538 (E_RNA)
where:
Base-Base interactions energy: -1553.045
where: short stacking energy: -611.636
Base-Backbone interact. energy: -2.623
local terms energy: -639.585989
where:
bonds (distance) C4'-P energy: -110.794
bonds (distance) P-C4' energy: -110.720
flat angles C4'-P-C4' energy: -135.499
flat angles P-C4'-P energy: -97.160
tors. eta vs tors. theta energy: -185.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2076.096519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.096519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.096519 (E_RNA)
where:
Base-Base interactions energy: -1414.009
where: short stacking energy: -577.704
Base-Backbone interact. energy: -5.163
local terms energy: -656.925237
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -113.900
flat angles C4'-P-C4' energy: -150.211
flat angles P-C4'-P energy: -89.732
tors. eta vs tors. theta energy: -179.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1919.261077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.261077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.261077 (E_RNA)
where:
Base-Base interactions energy: -1289.541
where: short stacking energy: -552.697
Base-Backbone interact. energy: 0.138
local terms energy: -629.858114
where:
bonds (distance) C4'-P energy: -115.854
bonds (distance) P-C4' energy: -129.876
flat angles C4'-P-C4' energy: -119.616
flat angles P-C4'-P energy: -94.593
tors. eta vs tors. theta energy: -169.918
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: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1808.703735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.703735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.703735 (E_RNA)
where:
Base-Base interactions energy: -1223.704
where: short stacking energy: -517.816
Base-Backbone interact. energy: 2.828
local terms energy: -587.827200
where:
bonds (distance) C4'-P energy: -105.929
bonds (distance) P-C4' energy: -107.893
flat angles C4'-P-C4' energy: -128.468
flat angles P-C4'-P energy: -87.706
tors. eta vs tors. theta energy: -157.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1605.789641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.789641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.789641 (E_RNA)
where:
Base-Base interactions energy: -1079.392
where: short stacking energy: -458.865
Base-Backbone interact. energy: -2.846
local terms energy: -523.552281
where:
bonds (distance) C4'-P energy: -117.311
bonds (distance) P-C4' energy: -104.240
flat angles C4'-P-C4' energy: -119.057
flat angles P-C4'-P energy: -65.173
tors. eta vs tors. theta energy: -117.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1333.617389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.617389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.617389 (E_RNA)
where:
Base-Base interactions energy: -838.787
where: short stacking energy: -368.110
Base-Backbone interact. energy: -2.713
local terms energy: -492.117001
where:
bonds (distance) C4'-P energy: -109.878
bonds (distance) P-C4' energy: -105.702
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -80.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1143.652048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.652048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.652048 (E_RNA)
where:
Base-Base interactions energy: -687.537
where: short stacking energy: -323.071
Base-Backbone interact. energy: -1.963
local terms energy: -454.152033
where:
bonds (distance) C4'-P energy: -110.519
bonds (distance) P-C4' energy: -115.418
flat angles C4'-P-C4' energy: -103.402
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -60.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -942.647817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.647817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.647817 (E_RNA)
where:
Base-Base interactions energy: -563.569
where: short stacking energy: -289.588
Base-Backbone interact. energy: 2.011
local terms energy: -381.089718
where:
bonds (distance) C4'-P energy: -81.887
bonds (distance) P-C4' energy: -124.168
flat angles C4'-P-C4' energy: -100.416
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -36.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -597.346249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.346249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.346249 (E_RNA)
where:
Base-Base interactions energy: -278.410
where: short stacking energy: -180.532
Base-Backbone interact. energy: 4.405
local terms energy: -323.341514
where:
bonds (distance) C4'-P energy: -92.861
bonds (distance) P-C4' energy: -104.304
flat angles C4'-P-C4' energy: -86.420
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -2.402
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -465.343017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.343017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.343017 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -114.860
Base-Backbone interact. energy: -1.290
local terms energy: -310.835950
where:
bonds (distance) C4'-P energy: -104.888
bonds (distance) P-C4' energy: -105.671
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -53.143
tors. eta vs tors. theta energy: 17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2170.903665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.903665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.903665 (E_RNA)
where:
Base-Base interactions energy: -1525.299
where: short stacking energy: -588.890
Base-Backbone interact. energy: -2.065
local terms energy: -643.539872
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -123.373
flat angles C4'-P-C4' energy: -137.372
flat angles P-C4'-P energy: -84.033
tors. eta vs tors. theta energy: -171.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2018.983281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.983281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.983281 (E_RNA)
where:
Base-Base interactions energy: -1374.411
where: short stacking energy: -559.622
Base-Backbone interact. energy: -1.705
local terms energy: -642.867750
where:
bonds (distance) C4'-P energy: -110.417
bonds (distance) P-C4' energy: -132.302
flat angles C4'-P-C4' energy: -132.531
flat angles P-C4'-P energy: -88.712
tors. eta vs tors. theta energy: -178.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1977.077580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.077580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.077580 (E_RNA)
where:
Base-Base interactions energy: -1316.324
where: short stacking energy: -547.153
Base-Backbone interact. energy: -5.108
local terms energy: -655.645441
where:
bonds (distance) C4'-P energy: -124.665
bonds (distance) P-C4' energy: -128.646
flat angles C4'-P-C4' energy: -144.069
flat angles P-C4'-P energy: -80.383
tors. eta vs tors. theta energy: -177.883
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: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1822.431788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.431788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.431788 (E_RNA)
where:
Base-Base interactions energy: -1232.045
where: short stacking energy: -539.836
Base-Backbone interact. energy: -1.988
local terms energy: -588.398174
where:
bonds (distance) C4'-P energy: -102.660
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -122.989
flat angles P-C4'-P energy: -86.584
tors. eta vs tors. theta energy: -163.342
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: 333
Temperature: 1.100000
Total energy: -1694.272076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.272076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.272076 (E_RNA)
where:
Base-Base interactions energy: -1121.167
where: short stacking energy: -495.937
Base-Backbone interact. energy: -1.410
local terms energy: -571.694872
where:
bonds (distance) C4'-P energy: -110.233
bonds (distance) P-C4' energy: -109.817
flat angles C4'-P-C4' energy: -116.484
flat angles P-C4'-P energy: -78.209
tors. eta vs tors. theta energy: -156.952
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: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1389.246406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.246406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.246406 (E_RNA)
where:
Base-Base interactions energy: -906.833
where: short stacking energy: -377.054
Base-Backbone interact. energy: -2.383
local terms energy: -480.030472
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -104.365
flat angles C4'-P-C4' energy: -111.036
flat angles P-C4'-P energy: -65.890
tors. eta vs tors. theta energy: -84.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1108.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.143017 (E_RNA)
where:
Base-Base interactions energy: -705.548
where: short stacking energy: -312.423
Base-Backbone interact. energy: -0.890
local terms energy: -401.704652
where:
bonds (distance) C4'-P energy: -92.129
bonds (distance) P-C4' energy: -101.792
flat angles C4'-P-C4' energy: -97.049
flat angles P-C4'-P energy: -62.032
tors. eta vs tors. theta energy: -48.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1005.766650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.766650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.766650 (E_RNA)
where:
Base-Base interactions energy: -578.094
where: short stacking energy: -259.125
Base-Backbone interact. energy: -1.981
local terms energy: -425.691672
where:
bonds (distance) C4'-P energy: -109.578
bonds (distance) P-C4' energy: -116.391
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -45.726
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -581.982979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.982979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.982979 (E_RNA)
where:
Base-Base interactions energy: -239.915
where: short stacking energy: -159.708
Base-Backbone interact. energy: 1.182
local terms energy: -343.249755
where:
bonds (distance) C4'-P energy: -106.379
bonds (distance) P-C4' energy: -102.891
flat angles C4'-P-C4' energy: -87.597
flat angles P-C4'-P energy: -58.296
tors. eta vs tors. theta energy: 11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -494.887027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.887027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.887027 (E_RNA)
where:
Base-Base interactions energy: -171.262
where: short stacking energy: -157.290
Base-Backbone interact. energy: 0.849
local terms energy: -324.474228
where:
bonds (distance) C4'-P energy: -112.611
bonds (distance) P-C4' energy: -92.788
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -57.195
tors. eta vs tors. theta energy: 14.356
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: 334
Temperature: 0.900000
Total energy: -2172.255319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.255319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.255319 (E_RNA)
where:
Base-Base interactions energy: -1516.329
where: short stacking energy: -602.896
Base-Backbone interact. energy: -4.065
local terms energy: -651.861326
where:
bonds (distance) C4'-P energy: -126.701
bonds (distance) P-C4' energy: -110.016
flat angles C4'-P-C4' energy: -147.631
flat angles P-C4'-P energy: -98.248
tors. eta vs tors. theta energy: -169.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2031.851664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.851664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.851664 (E_RNA)
where:
Base-Base interactions energy: -1390.754
where: short stacking energy: -536.758
Base-Backbone interact. energy: -7.028
local terms energy: -634.069747
where:
bonds (distance) C4'-P energy: -126.532
bonds (distance) P-C4' energy: -113.527
flat angles C4'-P-C4' energy: -130.301
flat angles P-C4'-P energy: -93.498
tors. eta vs tors. theta energy: -170.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1956.642457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.642457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.642457 (E_RNA)
where:
Base-Base interactions energy: -1326.793
where: short stacking energy: -555.212
Base-Backbone interact. energy: -3.356
local terms energy: -626.493612
where:
bonds (distance) C4'-P energy: -109.487
bonds (distance) P-C4' energy: -112.818
flat angles C4'-P-C4' energy: -130.907
flat angles P-C4'-P energy: -87.356
tors. eta vs tors. theta energy: -185.926
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1773.151252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.151252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.151252 (E_RNA)
where:
Base-Base interactions energy: -1199.865
where: short stacking energy: -490.909
Base-Backbone interact. energy: -2.643
local terms energy: -570.643888
where:
bonds (distance) C4'-P energy: -111.308
bonds (distance) P-C4' energy: -130.920
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -70.463
tors. eta vs tors. theta energy: -134.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1705.545106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.545106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.545106 (E_RNA)
where:
Base-Base interactions energy: -1131.143
where: short stacking energy: -497.631
Base-Backbone interact. energy: -1.702
local terms energy: -572.700471
where:
bonds (distance) C4'-P energy: -110.880
bonds (distance) P-C4' energy: -110.206
flat angles C4'-P-C4' energy: -121.694
flat angles P-C4'-P energy: -83.203
tors. eta vs tors. theta energy: -146.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1329.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.174206 (E_RNA)
where:
Base-Base interactions energy: -852.616
where: short stacking energy: -389.148
Base-Backbone interact. energy: -3.155
local terms energy: -473.403110
where:
bonds (distance) C4'-P energy: -94.603
bonds (distance) P-C4' energy: -95.291
flat angles C4'-P-C4' energy: -108.214
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -108.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1109.467626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.467626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.467626 (E_RNA)
where:
Base-Base interactions energy: -664.324
where: short stacking energy: -320.031
Base-Backbone interact. energy: 3.024
local terms energy: -448.167249
where:
bonds (distance) C4'-P energy: -103.545
bonds (distance) P-C4' energy: -110.106
flat angles C4'-P-C4' energy: -111.955
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -70.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -973.905835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.905835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.905835 (E_RNA)
where:
Base-Base interactions energy: -570.738
where: short stacking energy: -275.748
Base-Backbone interact. energy: 0.623
local terms energy: -403.790795
where:
bonds (distance) C4'-P energy: -116.058
bonds (distance) P-C4' energy: -103.722
flat angles C4'-P-C4' energy: -93.754
flat angles P-C4'-P energy: -67.499
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -524.874681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.874681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.874681 (E_RNA)
where:
Base-Base interactions energy: -203.277
where: short stacking energy: -158.117
Base-Backbone interact. energy: -2.351
local terms energy: -319.246415
where:
bonds (distance) C4'-P energy: -109.009
bonds (distance) P-C4' energy: -97.888
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -36.681
tors. eta vs tors. theta energy: 8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -561.299406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.299406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.299406 (E_RNA)
where:
Base-Base interactions energy: -244.445
where: short stacking energy: -164.680
Base-Backbone interact. energy: 4.901
local terms energy: -321.755380
where:
bonds (distance) C4'-P energy: -94.236
bonds (distance) P-C4' energy: -113.990
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: 36.742
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2165.017030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.017030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.017030 (E_RNA)
where:
Base-Base interactions energy: -1505.435
where: short stacking energy: -590.934
Base-Backbone interact. energy: -1.312
local terms energy: -658.269281
where:
bonds (distance) C4'-P energy: -124.189
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -143.370
flat angles P-C4'-P energy: -101.587
tors. eta vs tors. theta energy: -167.864
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: 335
Temperature: 0.950000
Total energy: -2035.117200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.117200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.117200 (E_RNA)
where:
Base-Base interactions energy: -1397.351
where: short stacking energy: -576.426
Base-Backbone interact. energy: -3.027
local terms energy: -634.739802
where:
bonds (distance) C4'-P energy: -114.566
bonds (distance) P-C4' energy: -121.785
flat angles C4'-P-C4' energy: -132.529
flat angles P-C4'-P energy: -93.668
tors. eta vs tors. theta energy: -172.192
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: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1973.609128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.609128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.609128 (E_RNA)
where:
Base-Base interactions energy: -1362.934
where: short stacking energy: -575.573
Base-Backbone interact. energy: -1.945
local terms energy: -608.730625
where:
bonds (distance) C4'-P energy: -111.912
bonds (distance) P-C4' energy: -122.150
flat angles C4'-P-C4' energy: -116.296
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -177.605
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: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1774.383078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.383078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.383078 (E_RNA)
where:
Base-Base interactions energy: -1202.302
where: short stacking energy: -500.253
Base-Backbone interact. energy: -2.250
local terms energy: -569.830747
where:
bonds (distance) C4'-P energy: -97.012
bonds (distance) P-C4' energy: -131.139
flat angles C4'-P-C4' energy: -112.413
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -146.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1708.972560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.972560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.972560 (E_RNA)
where:
Base-Base interactions energy: -1127.042
where: short stacking energy: -475.725
Base-Backbone interact. energy: -2.646
local terms energy: -579.284813
where:
bonds (distance) C4'-P energy: -101.421
bonds (distance) P-C4' energy: -119.966
flat angles C4'-P-C4' energy: -134.465
flat angles P-C4'-P energy: -74.058
tors. eta vs tors. theta energy: -149.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1363.088429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.088429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.088429 (E_RNA)
where:
Base-Base interactions energy: -877.373
where: short stacking energy: -404.683
Base-Backbone interact. energy: -3.176
local terms energy: -482.539922
where:
bonds (distance) C4'-P energy: -103.606
bonds (distance) P-C4' energy: -105.220
flat angles C4'-P-C4' energy: -103.557
flat angles P-C4'-P energy: -71.937
tors. eta vs tors. theta energy: -98.221
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1125.727008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.727008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.727008 (E_RNA)
where:
Base-Base interactions energy: -668.434
where: short stacking energy: -304.762
Base-Backbone interact. energy: -2.531
local terms energy: -454.762256
where:
bonds (distance) C4'-P energy: -113.180
bonds (distance) P-C4' energy: -120.996
flat angles C4'-P-C4' energy: -100.267
flat angles P-C4'-P energy: -78.744
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -989.184460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.184460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.184460 (E_RNA)
where:
Base-Base interactions energy: -572.285
where: short stacking energy: -290.724
Base-Backbone interact. energy: -3.664
local terms energy: -413.235568
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -101.208
flat angles C4'-P-C4' energy: -108.514
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -57.391
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -528.811009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.811009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.811009 (E_RNA)
where:
Base-Base interactions energy: -171.457
where: short stacking energy: -137.489
Base-Backbone interact. energy: 6.425
local terms energy: -363.778882
where:
bonds (distance) C4'-P energy: -110.729
bonds (distance) P-C4' energy: -125.481
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -68.613
tors. eta vs tors. theta energy: 12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -554.308018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.308018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.308018 (E_RNA)
where:
Base-Base interactions energy: -229.463
where: short stacking energy: -155.704
Base-Backbone interact. energy: 2.158
local terms energy: -327.002789
where:
bonds (distance) C4'-P energy: -96.369
bonds (distance) P-C4' energy: -102.339
flat angles C4'-P-C4' energy: -88.501
flat angles P-C4'-P energy: -48.920
tors. eta vs tors. theta energy: 9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2199.404925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.404925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.404925 (E_RNA)
where:
Base-Base interactions energy: -1562.771
where: short stacking energy: -610.848
Base-Backbone interact. energy: 0.685
local terms energy: -637.319467
where:
bonds (distance) C4'-P energy: -116.548
bonds (distance) P-C4' energy: -119.967
flat angles C4'-P-C4' energy: -134.274
flat angles P-C4'-P energy: -95.158
tors. eta vs tors. theta energy: -171.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2048.835869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.835869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.835869 (E_RNA)
where:
Base-Base interactions energy: -1383.058
where: short stacking energy: -571.087
Base-Backbone interact. energy: -4.655
local terms energy: -661.122496
where:
bonds (distance) C4'-P energy: -117.744
bonds (distance) P-C4' energy: -126.894
flat angles C4'-P-C4' energy: -139.792
flat angles P-C4'-P energy: -90.536
tors. eta vs tors. theta energy: -186.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1959.393030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.393030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.393030 (E_RNA)
where:
Base-Base interactions energy: -1332.453
where: short stacking energy: -566.890
Base-Backbone interact. energy: -1.012
local terms energy: -625.928935
where:
bonds (distance) C4'-P energy: -117.455
bonds (distance) P-C4' energy: -123.477
flat angles C4'-P-C4' energy: -129.365
flat angles P-C4'-P energy: -85.996
tors. eta vs tors. theta energy: -169.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1812.491997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.491997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.491997 (E_RNA)
where:
Base-Base interactions energy: -1229.822
where: short stacking energy: -530.722
Base-Backbone interact. energy: 0.345
local terms energy: -583.014952
where:
bonds (distance) C4'-P energy: -111.740
bonds (distance) P-C4' energy: -99.984
flat angles C4'-P-C4' energy: -126.143
flat angles P-C4'-P energy: -89.856
tors. eta vs tors. theta energy: -155.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1685.127418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.127418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.127418 (E_RNA)
where:
Base-Base interactions energy: -1124.352
where: short stacking energy: -490.953
Base-Backbone interact. energy: -0.976
local terms energy: -559.799871
where:
bonds (distance) C4'-P energy: -111.680
bonds (distance) P-C4' energy: -114.590
flat angles C4'-P-C4' energy: -121.643
flat angles P-C4'-P energy: -70.199
tors. eta vs tors. theta energy: -141.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1343.576896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.576896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.576896 (E_RNA)
where:
Base-Base interactions energy: -837.522
where: short stacking energy: -390.019
Base-Backbone interact. energy: -2.020
local terms energy: -504.034127
where:
bonds (distance) C4'-P energy: -104.403
bonds (distance) P-C4' energy: -110.910
flat angles C4'-P-C4' energy: -110.376
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -104.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1156.599737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.599737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.599737 (E_RNA)
where:
Base-Base interactions energy: -701.845
where: short stacking energy: -321.335
Base-Backbone interact. energy: 3.817
local terms energy: -458.571879
where:
bonds (distance) C4'-P energy: -109.410
bonds (distance) P-C4' energy: -109.009
flat angles C4'-P-C4' energy: -107.993
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -65.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -971.954250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.954250 (E_RNA)
where:
Base-Base interactions energy: -585.891
where: short stacking energy: -263.847
Base-Backbone interact. energy: 0.474
local terms energy: -386.537144
where:
bonds (distance) C4'-P energy: -74.138
bonds (distance) P-C4' energy: -118.620
flat angles C4'-P-C4' energy: -107.965
flat angles P-C4'-P energy: -57.095
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -610.319788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.319788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.319788 (E_RNA)
where:
Base-Base interactions energy: -270.336
where: short stacking energy: -150.244
Base-Backbone interact. energy: -2.742
local terms energy: -337.241744
where:
bonds (distance) C4'-P energy: -81.124
bonds (distance) P-C4' energy: -95.591
flat angles C4'-P-C4' energy: -106.211
flat angles P-C4'-P energy: -64.724
tors. eta vs tors. theta energy: 10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -453.451976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.451976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.451976 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -107.835
Base-Backbone interact. energy: 5.784
local terms energy: -306.353237
where:
bonds (distance) C4'-P energy: -109.224
bonds (distance) P-C4' energy: -88.951
flat angles C4'-P-C4' energy: -90.491
flat angles P-C4'-P energy: -42.027
tors. eta vs tors. theta energy: 24.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2173.444193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.444193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.444193 (E_RNA)
where:
Base-Base interactions energy: -1539.814
where: short stacking energy: -593.466
Base-Backbone interact. energy: -1.734
local terms energy: -631.896257
where:
bonds (distance) C4'-P energy: -110.913
bonds (distance) P-C4' energy: -133.422
flat angles C4'-P-C4' energy: -139.178
flat angles P-C4'-P energy: -84.260
tors. eta vs tors. theta energy: -164.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2011.999842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.999842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.999842 (E_RNA)
where:
Base-Base interactions energy: -1395.828
where: short stacking energy: -562.451
Base-Backbone interact. energy: -2.638
local terms energy: -613.533663
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -116.823
flat angles C4'-P-C4' energy: -127.632
flat angles P-C4'-P energy: -93.328
tors. eta vs tors. theta energy: -165.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1978.698090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.698090 (E_RNA)
where:
Base-Base interactions energy: -1340.125
where: short stacking energy: -581.424
Base-Backbone interact. energy: -2.916
local terms energy: -635.657612
where:
bonds (distance) C4'-P energy: -128.064
bonds (distance) P-C4' energy: -113.013
flat angles C4'-P-C4' energy: -128.584
flat angles P-C4'-P energy: -83.762
tors. eta vs tors. theta energy: -182.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1784.672900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.672900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.672900 (E_RNA)
where:
Base-Base interactions energy: -1241.873
where: short stacking energy: -513.265
Base-Backbone interact. energy: 0.470
local terms energy: -543.270112
where:
bonds (distance) C4'-P energy: -89.075
bonds (distance) P-C4' energy: -115.669
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -66.812
tors. eta vs tors. theta energy: -138.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1677.272353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.272353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.272353 (E_RNA)
where:
Base-Base interactions energy: -1143.662
where: short stacking energy: -496.399
Base-Backbone interact. energy: -1.330
local terms energy: -532.280340
where:
bonds (distance) C4'-P energy: -101.645
bonds (distance) P-C4' energy: -104.261
flat angles C4'-P-C4' energy: -105.263
flat angles P-C4'-P energy: -69.587
tors. eta vs tors. theta energy: -151.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1335.988084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.988084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.988084 (E_RNA)
where:
Base-Base interactions energy: -850.908
where: short stacking energy: -349.245
Base-Backbone interact. energy: 3.974
local terms energy: -489.053954
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -111.162
flat angles P-C4'-P energy: -77.308
tors. eta vs tors. theta energy: -71.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1188.759411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.759411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.759411 (E_RNA)
where:
Base-Base interactions energy: -737.611
where: short stacking energy: -348.264
Base-Backbone interact. energy: -0.278
local terms energy: -450.869812
where:
bonds (distance) C4'-P energy: -98.988
bonds (distance) P-C4' energy: -105.470
flat angles C4'-P-C4' energy: -100.160
flat angles P-C4'-P energy: -59.509
tors. eta vs tors. theta energy: -86.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -953.039021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.039021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.039021 (E_RNA)
where:
Base-Base interactions energy: -556.813
where: short stacking energy: -254.878
Base-Backbone interact. energy: -0.770
local terms energy: -395.455199
where:
bonds (distance) C4'-P energy: -96.151
bonds (distance) P-C4' energy: -118.384
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -621.709196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.709196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.709196 (E_RNA)
where:
Base-Base interactions energy: -293.558
where: short stacking energy: -179.847
Base-Backbone interact. energy: 0.368
local terms energy: -328.518732
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -98.914
flat angles C4'-P-C4' energy: -77.860
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: 4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -460.159983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.159983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.159983 (E_RNA)
where:
Base-Base interactions energy: -148.212
where: short stacking energy: -115.234
Base-Backbone interact. energy: -3.812
local terms energy: -308.135547
where:
bonds (distance) C4'-P energy: -111.695
bonds (distance) P-C4' energy: -104.778
flat angles C4'-P-C4' energy: -88.346
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: 31.930
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2178.290083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.290083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.290083 (E_RNA)
where:
Base-Base interactions energy: -1503.616
where: short stacking energy: -613.947
Base-Backbone interact. energy: -2.691
local terms energy: -671.982238
where:
bonds (distance) C4'-P energy: -125.171
bonds (distance) P-C4' energy: -122.691
flat angles C4'-P-C4' energy: -145.746
flat angles P-C4'-P energy: -96.323
tors. eta vs tors. theta energy: -182.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2038.320288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.320288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.320288 (E_RNA)
where:
Base-Base interactions energy: -1386.529
where: short stacking energy: -571.607
Base-Backbone interact. energy: -4.325
local terms energy: -647.466509
where:
bonds (distance) C4'-P energy: -121.301
bonds (distance) P-C4' energy: -110.289
flat angles C4'-P-C4' energy: -131.995
flat angles P-C4'-P energy: -104.589
tors. eta vs tors. theta energy: -179.292
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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1997.238897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.238897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.238897 (E_RNA)
where:
Base-Base interactions energy: -1376.614
where: short stacking energy: -556.714
Base-Backbone interact. energy: 2.174
local terms energy: -622.798575
where:
bonds (distance) C4'-P energy: -96.836
bonds (distance) P-C4' energy: -112.514
flat angles C4'-P-C4' energy: -136.350
flat angles P-C4'-P energy: -89.087
tors. eta vs tors. theta energy: -188.011
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1757.953207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.953207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.953207 (E_RNA)
where:
Base-Base interactions energy: -1198.156
where: short stacking energy: -487.393
Base-Backbone interact. energy: -1.792
local terms energy: -558.006045
where:
bonds (distance) C4'-P energy: -100.852
bonds (distance) P-C4' energy: -119.633
flat angles C4'-P-C4' energy: -129.236
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -124.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1709.314538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.314538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.314538 (E_RNA)
where:
Base-Base interactions energy: -1143.073
where: short stacking energy: -488.864
Base-Backbone interact. energy: -1.447
local terms energy: -564.794537
where:
bonds (distance) C4'-P energy: -103.766
bonds (distance) P-C4' energy: -106.169
flat angles C4'-P-C4' energy: -121.742
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -150.922
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: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1279.441441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.441441 (E_RNA)
where:
Base-Base interactions energy: -780.865
where: short stacking energy: -337.480
Base-Backbone interact. energy: 1.073
local terms energy: -499.649633
where:
bonds (distance) C4'-P energy: -117.197
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -115.143
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -86.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1147.862169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.862169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.862169 (E_RNA)
where:
Base-Base interactions energy: -694.686
where: short stacking energy: -302.491
Base-Backbone interact. energy: -1.798
local terms energy: -451.378408
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -116.848
flat angles C4'-P-C4' energy: -114.445
flat angles P-C4'-P energy: -61.041
tors. eta vs tors. theta energy: -45.415
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: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -970.470926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.470926 (E_RNA)
where:
Base-Base interactions energy: -579.780
where: short stacking energy: -274.437
Base-Backbone interact. energy: -1.431
local terms energy: -389.259999
where:
bonds (distance) C4'-P energy: -95.381
bonds (distance) P-C4' energy: -103.151
flat angles C4'-P-C4' energy: -105.604
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -32.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -634.547572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.547572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.547572 (E_RNA)
where:
Base-Base interactions energy: -293.374
where: short stacking energy: -198.908
Base-Backbone interact. energy: 2.643
local terms energy: -343.816919
where:
bonds (distance) C4'-P energy: -75.270
bonds (distance) P-C4' energy: -107.285
flat angles C4'-P-C4' energy: -90.216
flat angles P-C4'-P energy: -53.463
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -486.965866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.965866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.965866 (E_RNA)
where:
Base-Base interactions energy: -168.588
where: short stacking energy: -138.118
Base-Backbone interact. energy: 0.568
local terms energy: -318.946244
where:
bonds (distance) C4'-P energy: -94.440
bonds (distance) P-C4' energy: -99.986
flat angles C4'-P-C4' energy: -86.379
flat angles P-C4'-P energy: -51.202
tors. eta vs tors. theta energy: 13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2167.040986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.040986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.040986 (E_RNA)
where:
Base-Base interactions energy: -1500.354
where: short stacking energy: -621.791
Base-Backbone interact. energy: -2.728
local terms energy: -663.959098
where:
bonds (distance) C4'-P energy: -113.249
bonds (distance) P-C4' energy: -124.454
flat angles C4'-P-C4' energy: -139.059
flat angles P-C4'-P energy: -108.363
tors. eta vs tors. theta energy: -178.834
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: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2049.597335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.597335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.597335 (E_RNA)
where:
Base-Base interactions energy: -1441.388
where: short stacking energy: -562.676
Base-Backbone interact. energy: -4.544
local terms energy: -603.665039
where:
bonds (distance) C4'-P energy: -101.670
bonds (distance) P-C4' energy: -109.778
flat angles C4'-P-C4' energy: -130.558
flat angles P-C4'-P energy: -80.311
tors. eta vs tors. theta energy: -181.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1992.832318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.832318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.832318 (E_RNA)
where:
Base-Base interactions energy: -1345.755
where: short stacking energy: -558.821
Base-Backbone interact. energy: -0.309
local terms energy: -646.767666
where:
bonds (distance) C4'-P energy: -123.076
bonds (distance) P-C4' energy: -117.594
flat angles C4'-P-C4' energy: -138.037
flat angles P-C4'-P energy: -87.822
tors. eta vs tors. theta energy: -180.239
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: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1806.026335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.026335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.026335 (E_RNA)
where:
Base-Base interactions energy: -1233.730
where: short stacking energy: -506.800
Base-Backbone interact. energy: 0.682
local terms energy: -572.978062
where:
bonds (distance) C4'-P energy: -108.978
bonds (distance) P-C4' energy: -113.403
flat angles C4'-P-C4' energy: -124.578
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -138.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1713.292485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.292485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.292485 (E_RNA)
where:
Base-Base interactions energy: -1138.930
where: short stacking energy: -485.169
Base-Backbone interact. energy: 3.528
local terms energy: -577.891134
where:
bonds (distance) C4'-P energy: -114.813
bonds (distance) P-C4' energy: -114.055
flat angles C4'-P-C4' energy: -121.103
flat angles P-C4'-P energy: -81.969
tors. eta vs tors. theta energy: -145.950
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: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1217.432043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.432043 (E_RNA)
where:
Base-Base interactions energy: -771.095
where: short stacking energy: -356.919
Base-Backbone interact. energy: 2.207
local terms energy: -448.544018
where:
bonds (distance) C4'-P energy: -104.812
bonds (distance) P-C4' energy: -110.033
flat angles C4'-P-C4' energy: -91.925
flat angles P-C4'-P energy: -72.216
tors. eta vs tors. theta energy: -69.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1200.081450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.081450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.081450 (E_RNA)
where:
Base-Base interactions energy: -746.205
where: short stacking energy: -316.997
Base-Backbone interact. energy: 1.580
local terms energy: -455.456744
where:
bonds (distance) C4'-P energy: -109.068
bonds (distance) P-C4' energy: -104.773
flat angles C4'-P-C4' energy: -101.022
flat angles P-C4'-P energy: -72.118
tors. eta vs tors. theta energy: -68.475
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: 339
Temperature: 1.250000
Total energy: -1022.477996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.477996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.477996 (E_RNA)
where:
Base-Base interactions energy: -608.693
where: short stacking energy: -280.294
Base-Backbone interact. energy: 4.332
local terms energy: -418.116804
where:
bonds (distance) C4'-P energy: -102.226
bonds (distance) P-C4' energy: -106.297
flat angles C4'-P-C4' energy: -94.939
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -47.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -651.778636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.778636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.778636 (E_RNA)
where:
Base-Base interactions energy: -311.650
where: short stacking energy: -204.630
Base-Backbone interact. energy: 0.383
local terms energy: -340.511866
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -77.488
tors. eta vs tors. theta energy: 1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -460.320823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.320823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.320823 (E_RNA)
where:
Base-Base interactions energy: -172.503
where: short stacking energy: -122.536
Base-Backbone interact. energy: 2.448
local terms energy: -290.265461
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -107.448
flat angles C4'-P-C4' energy: -80.124
flat angles P-C4'-P energy: -55.128
tors. eta vs tors. theta energy: 36.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2186.058237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.058237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.058237 (E_RNA)
where:
Base-Base interactions energy: -1536.917
where: short stacking energy: -616.781
Base-Backbone interact. energy: -2.687
local terms energy: -646.454037
where:
bonds (distance) C4'-P energy: -114.248
bonds (distance) P-C4' energy: -121.849
flat angles C4'-P-C4' energy: -138.261
flat angles P-C4'-P energy: -90.353
tors. eta vs tors. theta energy: -181.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2035.820053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.820053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.820053 (E_RNA)
where:
Base-Base interactions energy: -1408.043
where: short stacking energy: -549.892
Base-Backbone interact. energy: 1.411
local terms energy: -629.188650
where:
bonds (distance) C4'-P energy: -111.415
bonds (distance) P-C4' energy: -124.457
flat angles C4'-P-C4' energy: -131.882
flat angles P-C4'-P energy: -94.319
tors. eta vs tors. theta energy: -167.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1960.926896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.926896 (E_RNA)
where:
Base-Base interactions energy: -1344.531
where: short stacking energy: -550.506
Base-Backbone interact. energy: -2.340
local terms energy: -614.056567
where:
bonds (distance) C4'-P energy: -110.221
bonds (distance) P-C4' energy: -123.798
flat angles C4'-P-C4' energy: -135.326
flat angles P-C4'-P energy: -81.708
tors. eta vs tors. theta energy: -163.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1802.306599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.306599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.306599 (E_RNA)
where:
Base-Base interactions energy: -1222.090
where: short stacking energy: -500.675
Base-Backbone interact. energy: -2.903
local terms energy: -577.313779
where:
bonds (distance) C4'-P energy: -114.892
bonds (distance) P-C4' energy: -104.018
flat angles C4'-P-C4' energy: -128.642
flat angles P-C4'-P energy: -83.819
tors. eta vs tors. theta energy: -145.943
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: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1725.148462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.148462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.148462 (E_RNA)
where:
Base-Base interactions energy: -1140.736
where: short stacking energy: -506.242
Base-Backbone interact. energy: -0.179
local terms energy: -584.233497
where:
bonds (distance) C4'-P energy: -117.675
bonds (distance) P-C4' energy: -105.942
flat angles C4'-P-C4' energy: -132.064
flat angles P-C4'-P energy: -84.319
tors. eta vs tors. theta energy: -144.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1253.111147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.111147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.111147 (E_RNA)
where:
Base-Base interactions energy: -792.568
where: short stacking energy: -387.588
Base-Backbone interact. energy: -2.990
local terms energy: -457.553441
where:
bonds (distance) C4'-P energy: -103.123
bonds (distance) P-C4' energy: -99.526
flat angles C4'-P-C4' energy: -103.408
flat angles P-C4'-P energy: -64.796
tors. eta vs tors. theta energy: -86.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1226.960041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.960041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.960041 (E_RNA)
where:
Base-Base interactions energy: -784.135
where: short stacking energy: -319.701
Base-Backbone interact. energy: 0.389
local terms energy: -443.214030
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -98.814
flat angles C4'-P-C4' energy: -108.018
flat angles P-C4'-P energy: -63.527
tors. eta vs tors. theta energy: -76.197
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: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1049.659294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.659294 (E_RNA)
where:
Base-Base interactions energy: -654.238
where: short stacking energy: -291.193
Base-Backbone interact. energy: -2.413
local terms energy: -393.008486
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -106.380
flat angles C4'-P-C4' energy: -93.010
flat angles P-C4'-P energy: -60.848
tors. eta vs tors. theta energy: -56.373
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: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -705.142292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.142292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.142292 (E_RNA)
where:
Base-Base interactions energy: -353.048
where: short stacking energy: -235.707
Base-Backbone interact. energy: -2.772
local terms energy: -349.322182
where:
bonds (distance) C4'-P energy: -91.521
bonds (distance) P-C4' energy: -92.206
flat angles C4'-P-C4' energy: -90.493
flat angles P-C4'-P energy: -49.039
tors. eta vs tors. theta energy: -26.062
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: 340
Temperature: 1.350000
Total energy: -483.723661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.723661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.723661 (E_RNA)
where:
Base-Base interactions energy: -196.714
where: short stacking energy: -142.768
Base-Backbone interact. energy: -0.503
local terms energy: -286.507154
where:
bonds (distance) C4'-P energy: -95.347
bonds (distance) P-C4' energy: -95.504
flat angles C4'-P-C4' energy: -73.081
flat angles P-C4'-P energy: -45.092
tors. eta vs tors. theta energy: 22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2157.626005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.626005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.626005 (E_RNA)
where:
Base-Base interactions energy: -1500.898
where: short stacking energy: -611.767
Base-Backbone interact. energy: 0.042
local terms energy: -656.770635
where:
bonds (distance) C4'-P energy: -121.581
bonds (distance) P-C4' energy: -126.684
flat angles C4'-P-C4' energy: -140.023
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -176.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2007.346565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.346565 (E_RNA)
where:
Base-Base interactions energy: -1362.226
where: short stacking energy: -577.058
Base-Backbone interact. energy: 1.614
local terms energy: -646.734728
where:
bonds (distance) C4'-P energy: -123.385
bonds (distance) P-C4' energy: -122.378
flat angles C4'-P-C4' energy: -135.005
flat angles P-C4'-P energy: -87.132
tors. eta vs tors. theta energy: -178.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1957.407493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.407493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.407493 (E_RNA)
where:
Base-Base interactions energy: -1337.167
where: short stacking energy: -561.741
Base-Backbone interact. energy: -2.090
local terms energy: -618.150024
where:
bonds (distance) C4'-P energy: -117.126
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -125.679
flat angles P-C4'-P energy: -91.339
tors. eta vs tors. theta energy: -172.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1843.066404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.066404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.066404 (E_RNA)
where:
Base-Base interactions energy: -1258.989
where: short stacking energy: -524.985
Base-Backbone interact. energy: 0.192
local terms energy: -584.269659
where:
bonds (distance) C4'-P energy: -102.585
bonds (distance) P-C4' energy: -128.454
flat angles C4'-P-C4' energy: -115.137
flat angles P-C4'-P energy: -76.307
tors. eta vs tors. theta energy: -161.786
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: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1703.338505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.338505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.338505 (E_RNA)
where:
Base-Base interactions energy: -1154.750
where: short stacking energy: -498.934
Base-Backbone interact. energy: -0.453
local terms energy: -548.135369
where:
bonds (distance) C4'-P energy: -109.231
bonds (distance) P-C4' energy: -104.501
flat angles C4'-P-C4' energy: -119.958
flat angles P-C4'-P energy: -63.539
tors. eta vs tors. theta energy: -150.906
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1282.123527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.123527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.123527 (E_RNA)
where:
Base-Base interactions energy: -808.478
where: short stacking energy: -334.501
Base-Backbone interact. energy: -1.478
local terms energy: -472.168324
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -98.979
flat angles C4'-P-C4' energy: -106.132
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -79.031
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1163.632702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.632702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.632702 (E_RNA)
where:
Base-Base interactions energy: -744.235
where: short stacking energy: -322.528
Base-Backbone interact. energy: 1.688
local terms energy: -421.086039
where:
bonds (distance) C4'-P energy: -97.374
bonds (distance) P-C4' energy: -113.205
flat angles C4'-P-C4' energy: -100.791
flat angles P-C4'-P energy: -54.648
tors. eta vs tors. theta energy: -55.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -971.668910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.668910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.668910 (E_RNA)
where:
Base-Base interactions energy: -564.738
where: short stacking energy: -249.602
Base-Backbone interact. energy: 0.333
local terms energy: -407.264794
where:
bonds (distance) C4'-P energy: -87.491
bonds (distance) P-C4' energy: -113.959
flat angles C4'-P-C4' energy: -110.134
flat angles P-C4'-P energy: -60.654
tors. eta vs tors. theta energy: -35.027
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: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -641.312477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.312477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.312477 (E_RNA)
where:
Base-Base interactions energy: -314.377
where: short stacking energy: -197.026
Base-Backbone interact. energy: 0.964
local terms energy: -327.899324
where:
bonds (distance) C4'-P energy: -90.807
bonds (distance) P-C4' energy: -95.434
flat angles C4'-P-C4' energy: -89.268
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -463.286176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.286176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.286176 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -105.420
Base-Backbone interact. energy: -2.295
local terms energy: -315.643698
where:
bonds (distance) C4'-P energy: -102.470
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -63.873
tors. eta vs tors. theta energy: 36.381
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: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2178.181469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.181469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.181469 (E_RNA)
where:
Base-Base interactions energy: -1525.427
where: short stacking energy: -613.099
Base-Backbone interact. energy: 3.552
local terms energy: -656.306863
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -133.453
flat angles C4'-P-C4' energy: -140.112
flat angles P-C4'-P energy: -82.516
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: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1996.038043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.038043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.038043 (E_RNA)
where:
Base-Base interactions energy: -1366.017
where: short stacking energy: -534.014
Base-Backbone interact. energy: -3.002
local terms energy: -627.018323
where:
bonds (distance) C4'-P energy: -118.018
bonds (distance) P-C4' energy: -124.443
flat angles C4'-P-C4' energy: -134.355
flat angles P-C4'-P energy: -83.987
tors. eta vs tors. theta energy: -166.216
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: 342
Temperature: 1.000000
Total energy: -1932.167687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.167687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.167687 (E_RNA)
where:
Base-Base interactions energy: -1337.751
where: short stacking energy: -548.813
Base-Backbone interact. energy: -2.948
local terms energy: -591.469111
where:
bonds (distance) C4'-P energy: -108.590
bonds (distance) P-C4' energy: -95.743
flat angles C4'-P-C4' energy: -129.566
flat angles P-C4'-P energy: -86.251
tors. eta vs tors. theta energy: -171.319
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: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1887.318746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.318746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.318746 (E_RNA)
where:
Base-Base interactions energy: -1284.485
where: short stacking energy: -540.991
Base-Backbone interact. energy: 0.842
local terms energy: -603.675123
where:
bonds (distance) C4'-P energy: -112.822
bonds (distance) P-C4' energy: -115.580
flat angles C4'-P-C4' energy: -130.050
flat angles P-C4'-P energy: -77.588
tors. eta vs tors. theta energy: -167.636
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: 342
Temperature: 1.100000
Total energy: -1702.468117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.468117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.468117 (E_RNA)
where:
Base-Base interactions energy: -1131.841
where: short stacking energy: -508.671
Base-Backbone interact. energy: -0.332
local terms energy: -570.294529
where:
bonds (distance) C4'-P energy: -110.944
bonds (distance) P-C4' energy: -120.481
flat angles C4'-P-C4' energy: -125.256
flat angles P-C4'-P energy: -60.887
tors. eta vs tors. theta energy: -152.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1372.412408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.412408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.412408 (E_RNA)
where:
Base-Base interactions energy: -889.629
where: short stacking energy: -374.473
Base-Backbone interact. energy: 0.512
local terms energy: -483.295698
where:
bonds (distance) C4'-P energy: -106.788
bonds (distance) P-C4' energy: -95.585
flat angles C4'-P-C4' energy: -114.592
flat angles P-C4'-P energy: -66.515
tors. eta vs tors. theta energy: -99.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1073.637851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.637851 (E_RNA)
where:
Base-Base interactions energy: -610.534
where: short stacking energy: -293.720
Base-Backbone interact. energy: 2.429
local terms energy: -465.532939
where:
bonds (distance) C4'-P energy: -116.264
bonds (distance) P-C4' energy: -111.854
flat angles C4'-P-C4' energy: -96.764
flat angles P-C4'-P energy: -81.176
tors. eta vs tors. theta energy: -59.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1000.368841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.368841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.368841 (E_RNA)
where:
Base-Base interactions energy: -592.556
where: short stacking energy: -286.831
Base-Backbone interact. energy: 0.686
local terms energy: -408.498647
where:
bonds (distance) C4'-P energy: -82.360
bonds (distance) P-C4' energy: -89.546
flat angles C4'-P-C4' energy: -109.299
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -69.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -606.508993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.508993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.508993 (E_RNA)
where:
Base-Base interactions energy: -252.857
where: short stacking energy: -183.128
Base-Backbone interact. energy: -0.080
local terms energy: -353.572547
where:
bonds (distance) C4'-P energy: -109.663
bonds (distance) P-C4' energy: -107.253
flat angles C4'-P-C4' energy: -97.754
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: 7.128
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -478.634821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.634821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.634821 (E_RNA)
where:
Base-Base interactions energy: -168.539
where: short stacking energy: -131.066
Base-Backbone interact. energy: -2.164
local terms energy: -307.931934
where:
bonds (distance) C4'-P energy: -101.422
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -83.889
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: 21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2174.210146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.210146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.210146 (E_RNA)
where:
Base-Base interactions energy: -1528.051
where: short stacking energy: -609.582
Base-Backbone interact. energy: -3.268
local terms energy: -642.891480
where:
bonds (distance) C4'-P energy: -117.820
bonds (distance) P-C4' energy: -123.388
flat angles C4'-P-C4' energy: -131.514
flat angles P-C4'-P energy: -85.340
tors. eta vs tors. theta energy: -184.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2024.573906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.573906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.573906 (E_RNA)
where:
Base-Base interactions energy: -1402.706
where: short stacking energy: -582.985
Base-Backbone interact. energy: -2.809
local terms energy: -619.059482
where:
bonds (distance) C4'-P energy: -102.904
bonds (distance) P-C4' energy: -109.450
flat angles C4'-P-C4' energy: -142.315
flat angles P-C4'-P energy: -87.215
tors. eta vs tors. theta energy: -177.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1948.540349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.540349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.540349 (E_RNA)
where:
Base-Base interactions energy: -1302.099
where: short stacking energy: -515.431
Base-Backbone interact. energy: -4.015
local terms energy: -642.426472
where:
bonds (distance) C4'-P energy: -118.992
bonds (distance) P-C4' energy: -132.978
flat angles C4'-P-C4' energy: -136.294
flat angles P-C4'-P energy: -83.737
tors. eta vs tors. theta energy: -170.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1848.223601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.223601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.223601 (E_RNA)
where:
Base-Base interactions energy: -1262.704
where: short stacking energy: -540.534
Base-Backbone interact. energy: -3.687
local terms energy: -581.832563
where:
bonds (distance) C4'-P energy: -97.366
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -148.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1693.484465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.484465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.484465 (E_RNA)
where:
Base-Base interactions energy: -1137.597
where: short stacking energy: -499.791
Base-Backbone interact. energy: 1.517
local terms energy: -557.405039
where:
bonds (distance) C4'-P energy: -96.018
bonds (distance) P-C4' energy: -110.622
flat angles C4'-P-C4' energy: -122.423
flat angles P-C4'-P energy: -75.685
tors. eta vs tors. theta energy: -152.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1373.400164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.400164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.400164 (E_RNA)
where:
Base-Base interactions energy: -862.001
where: short stacking energy: -410.911
Base-Backbone interact. energy: 0.248
local terms energy: -511.647779
where:
bonds (distance) C4'-P energy: -97.460
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -113.382
flat angles P-C4'-P energy: -72.531
tors. eta vs tors. theta energy: -113.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1085.234425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.234425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.234425 (E_RNA)
where:
Base-Base interactions energy: -648.740
where: short stacking energy: -275.855
Base-Backbone interact. energy: 1.021
local terms energy: -437.514789
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -115.884
flat angles C4'-P-C4' energy: -122.840
flat angles P-C4'-P energy: -58.669
tors. eta vs tors. theta energy: -43.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -955.118527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.118527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.118527 (E_RNA)
where:
Base-Base interactions energy: -543.595
where: short stacking energy: -278.974
Base-Backbone interact. energy: -2.885
local terms energy: -408.638628
where:
bonds (distance) C4'-P energy: -112.167
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -87.810
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -42.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -639.631955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.631955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.631955 (E_RNA)
where:
Base-Base interactions energy: -291.613
where: short stacking energy: -186.189
Base-Backbone interact. energy: -0.367
local terms energy: -347.651575
where:
bonds (distance) C4'-P energy: -95.933
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -79.526
flat angles P-C4'-P energy: -68.424
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -449.569481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.569481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.569481 (E_RNA)
where:
Base-Base interactions energy: -139.778
where: short stacking energy: -108.524
Base-Backbone interact. energy: -1.953
local terms energy: -307.838741
where:
bonds (distance) C4'-P energy: -95.849
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -93.845
flat angles P-C4'-P energy: -53.514
tors. eta vs tors. theta energy: 29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2169.680149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.680149 (E_RNA)
where:
Base-Base interactions energy: -1510.005
where: short stacking energy: -624.235
Base-Backbone interact. energy: 0.904
local terms energy: -660.579186
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -132.184
flat angles C4'-P-C4' energy: -138.001
flat angles P-C4'-P energy: -88.308
tors. eta vs tors. theta energy: -186.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2034.090305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.090305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.090305 (E_RNA)
where:
Base-Base interactions energy: -1363.277
where: short stacking energy: -576.099
Base-Backbone interact. energy: -2.695
local terms energy: -668.117814
where:
bonds (distance) C4'-P energy: -140.370
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -132.976
flat angles P-C4'-P energy: -92.166
tors. eta vs tors. theta energy: -175.331
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: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1921.727904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.727904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.727904 (E_RNA)
where:
Base-Base interactions energy: -1322.233
where: short stacking energy: -536.422
Base-Backbone interact. energy: 5.222
local terms energy: -604.716890
where:
bonds (distance) C4'-P energy: -108.928
bonds (distance) P-C4' energy: -115.414
flat angles C4'-P-C4' energy: -139.089
flat angles P-C4'-P energy: -87.213
tors. eta vs tors. theta energy: -154.073
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1858.913726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.913726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.913726 (E_RNA)
where:
Base-Base interactions energy: -1267.822
where: short stacking energy: -541.127
Base-Backbone interact. energy: -2.921
local terms energy: -588.170336
where:
bonds (distance) C4'-P energy: -112.437
bonds (distance) P-C4' energy: -104.144
flat angles C4'-P-C4' energy: -128.951
flat angles P-C4'-P energy: -81.294
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: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1773.350561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.350561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.350561 (E_RNA)
where:
Base-Base interactions energy: -1175.611
where: short stacking energy: -498.682
Base-Backbone interact. energy: -2.041
local terms energy: -595.699037
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -117.518
flat angles C4'-P-C4' energy: -130.355
flat angles P-C4'-P energy: -81.554
tors. eta vs tors. theta energy: -164.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1379.936221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.936221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.936221 (E_RNA)
where:
Base-Base interactions energy: -882.022
where: short stacking energy: -390.078
Base-Backbone interact. energy: -0.603
local terms energy: -497.311412
where:
bonds (distance) C4'-P energy: -116.741
bonds (distance) P-C4' energy: -98.260
flat angles C4'-P-C4' energy: -117.130
flat angles P-C4'-P energy: -58.339
tors. eta vs tors. theta energy: -106.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1148.454830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.454830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.454830 (E_RNA)
where:
Base-Base interactions energy: -681.807
where: short stacking energy: -323.824
Base-Backbone interact. energy: -4.597
local terms energy: -462.051202
where:
bonds (distance) C4'-P energy: -112.552
bonds (distance) P-C4' energy: -125.459
flat angles C4'-P-C4' energy: -89.476
flat angles P-C4'-P energy: -67.226
tors. eta vs tors. theta energy: -67.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -939.184397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.184397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.184397 (E_RNA)
where:
Base-Base interactions energy: -522.664
where: short stacking energy: -270.235
Base-Backbone interact. energy: 0.604
local terms energy: -417.124218
where:
bonds (distance) C4'-P energy: -94.835
bonds (distance) P-C4' energy: -126.186
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -66.805
tors. eta vs tors. theta energy: -49.130
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -596.779639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.779639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.779639 (E_RNA)
where:
Base-Base interactions energy: -272.958
where: short stacking energy: -147.572
Base-Backbone interact. energy: 1.313
local terms energy: -325.135163
where:
bonds (distance) C4'-P energy: -99.545
bonds (distance) P-C4' energy: -107.065
flat angles C4'-P-C4' energy: -74.581
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: 12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -455.461342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.461342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.461342 (E_RNA)
where:
Base-Base interactions energy: -142.257
where: short stacking energy: -112.864
Base-Backbone interact. energy: 2.552
local terms energy: -315.755660
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -118.233
flat angles C4'-P-C4' energy: -81.020
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: 26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2168.529417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.529417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.529417 (E_RNA)
where:
Base-Base interactions energy: -1501.042
where: short stacking energy: -608.072
Base-Backbone interact. energy: -2.968
local terms energy: -664.519496
where:
bonds (distance) C4'-P energy: -116.688
bonds (distance) P-C4' energy: -126.580
flat angles C4'-P-C4' energy: -128.334
flat angles P-C4'-P energy: -99.406
tors. eta vs tors. theta energy: -193.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2033.468066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.468066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.468066 (E_RNA)
where:
Base-Base interactions energy: -1376.508
where: short stacking energy: -554.237
Base-Backbone interact. energy: -3.920
local terms energy: -653.039401
where:
bonds (distance) C4'-P energy: -124.277
bonds (distance) P-C4' energy: -135.684
flat angles C4'-P-C4' energy: -133.558
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -165.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1915.665559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.665559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.665559 (E_RNA)
where:
Base-Base interactions energy: -1299.897
where: short stacking energy: -551.393
Base-Backbone interact. energy: 0.183
local terms energy: -615.951489
where:
bonds (distance) C4'-P energy: -122.952
bonds (distance) P-C4' energy: -108.378
flat angles C4'-P-C4' energy: -130.218
flat angles P-C4'-P energy: -87.213
tors. eta vs tors. theta energy: -167.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1826.880527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.880527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.880527 (E_RNA)
where:
Base-Base interactions energy: -1259.826
where: short stacking energy: -526.040
Base-Backbone interact. energy: -3.403
local terms energy: -563.652484
where:
bonds (distance) C4'-P energy: -91.905
bonds (distance) P-C4' energy: -115.654
flat angles C4'-P-C4' energy: -117.487
flat angles P-C4'-P energy: -86.738
tors. eta vs tors. theta energy: -151.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1730.112371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.112371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.112371 (E_RNA)
where:
Base-Base interactions energy: -1146.571
where: short stacking energy: -510.145
Base-Backbone interact. energy: 0.613
local terms energy: -584.154505
where:
bonds (distance) C4'-P energy: -96.474
bonds (distance) P-C4' energy: -126.298
flat angles C4'-P-C4' energy: -134.462
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -146.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1432.539982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.539982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.539982 (E_RNA)
where:
Base-Base interactions energy: -922.784
where: short stacking energy: -397.258
Base-Backbone interact. energy: -1.218
local terms energy: -508.538129
where:
bonds (distance) C4'-P energy: -73.481
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -128.619
flat angles P-C4'-P energy: -86.031
tors. eta vs tors. theta energy: -111.983
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: 345
Temperature: 1.200000
Total energy: -1174.104714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.104714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.104714 (E_RNA)
where:
Base-Base interactions energy: -736.503
where: short stacking energy: -322.689
Base-Backbone interact. energy: -1.694
local terms energy: -435.907759
where:
bonds (distance) C4'-P energy: -104.547
bonds (distance) P-C4' energy: -104.269
flat angles C4'-P-C4' energy: -103.376
flat angles P-C4'-P energy: -52.662
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: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -964.319516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.319516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.319516 (E_RNA)
where:
Base-Base interactions energy: -563.287
where: short stacking energy: -265.594
Base-Backbone interact. energy: -2.740
local terms energy: -398.292371
where:
bonds (distance) C4'-P energy: -94.913
bonds (distance) P-C4' energy: -101.897
flat angles C4'-P-C4' energy: -111.947
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -33.394
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: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -620.624479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.624479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.624479 (E_RNA)
where:
Base-Base interactions energy: -285.923
where: short stacking energy: -180.640
Base-Backbone interact. energy: -1.293
local terms energy: -333.407599
where:
bonds (distance) C4'-P energy: -77.246
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -93.503
flat angles P-C4'-P energy: -57.123
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -466.725668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.725668 (E_RNA)
where:
Base-Base interactions energy: -180.878
where: short stacking energy: -150.635
Base-Backbone interact. energy: -0.503
local terms energy: -285.344122
where:
bonds (distance) C4'-P energy: -80.632
bonds (distance) P-C4' energy: -104.150
flat angles C4'-P-C4' energy: -71.261
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: 16.245
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2189.434496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.434496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.434496 (E_RNA)
where:
Base-Base interactions energy: -1534.535
where: short stacking energy: -641.543
Base-Backbone interact. energy: -1.521
local terms energy: -653.379099
where:
bonds (distance) C4'-P energy: -125.107
bonds (distance) P-C4' energy: -109.799
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -102.021
tors. eta vs tors. theta energy: -185.185
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: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2022.185114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.185114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.185114 (E_RNA)
where:
Base-Base interactions energy: -1383.425
where: short stacking energy: -605.056
Base-Backbone interact. energy: -5.833
local terms energy: -632.926806
where:
bonds (distance) C4'-P energy: -105.578
bonds (distance) P-C4' energy: -133.718
flat angles C4'-P-C4' energy: -136.331
flat angles P-C4'-P energy: -74.919
tors. eta vs tors. theta energy: -182.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1923.266898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.266898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.266898 (E_RNA)
where:
Base-Base interactions energy: -1278.425
where: short stacking energy: -548.411
Base-Backbone interact. energy: -3.841
local terms energy: -641.000311
where:
bonds (distance) C4'-P energy: -109.104
bonds (distance) P-C4' energy: -118.592
flat angles C4'-P-C4' energy: -138.993
flat angles P-C4'-P energy: -100.606
tors. eta vs tors. theta energy: -173.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1848.250533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.250533 (E_RNA)
where:
Base-Base interactions energy: -1242.915
where: short stacking energy: -511.730
Base-Backbone interact. energy: -0.011
local terms energy: -605.324618
where:
bonds (distance) C4'-P energy: -117.073
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -132.162
flat angles P-C4'-P energy: -83.285
tors. eta vs tors. theta energy: -159.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1739.880979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.880979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.880979 (E_RNA)
where:
Base-Base interactions energy: -1191.747
where: short stacking energy: -503.192
Base-Backbone interact. energy: 2.428
local terms energy: -550.562117
where:
bonds (distance) C4'-P energy: -103.927
bonds (distance) P-C4' energy: -110.742
flat angles C4'-P-C4' energy: -129.180
flat angles P-C4'-P energy: -65.560
tors. eta vs tors. theta energy: -141.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1499.636324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.636324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.636324 (E_RNA)
where:
Base-Base interactions energy: -984.776
where: short stacking energy: -429.521
Base-Backbone interact. energy: 0.216
local terms energy: -515.076326
where:
bonds (distance) C4'-P energy: -119.630
bonds (distance) P-C4' energy: -103.978
flat angles C4'-P-C4' energy: -117.370
flat angles P-C4'-P energy: -60.148
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: 346
Temperature: 1.200000
Total energy: -1140.914012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.914012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.914012 (E_RNA)
where:
Base-Base interactions energy: -709.619
where: short stacking energy: -332.531
Base-Backbone interact. energy: -4.676
local terms energy: -426.619239
where:
bonds (distance) C4'-P energy: -98.803
bonds (distance) P-C4' energy: -111.013
flat angles C4'-P-C4' energy: -98.764
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -63.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -977.528621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.528621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.528621 (E_RNA)
where:
Base-Base interactions energy: -567.493
where: short stacking energy: -312.558
Base-Backbone interact. energy: -2.092
local terms energy: -407.944023
where:
bonds (distance) C4'-P energy: -95.697
bonds (distance) P-C4' energy: -114.100
flat angles C4'-P-C4' energy: -90.009
flat angles P-C4'-P energy: -52.222
tors. eta vs tors. theta energy: -55.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -612.971815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.971815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.971815 (E_RNA)
where:
Base-Base interactions energy: -238.372
where: short stacking energy: -139.256
Base-Backbone interact. energy: -2.615
local terms energy: -371.985442
where:
bonds (distance) C4'-P energy: -113.570
bonds (distance) P-C4' energy: -102.442
flat angles C4'-P-C4' energy: -97.668
flat angles P-C4'-P energy: -60.241
tors. eta vs tors. theta energy: 1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -484.342252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.342252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.342252 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -125.132
Base-Backbone interact. energy: 0.858
local terms energy: -341.659237
where:
bonds (distance) C4'-P energy: -108.206
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -89.854
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: 10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2148.284466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.284466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.284466 (E_RNA)
where:
Base-Base interactions energy: -1518.876
where: short stacking energy: -584.971
Base-Backbone interact. energy: 1.322
local terms energy: -630.730782
where:
bonds (distance) C4'-P energy: -107.978
bonds (distance) P-C4' energy: -122.893
flat angles C4'-P-C4' energy: -136.744
flat angles P-C4'-P energy: -89.709
tors. eta vs tors. theta energy: -173.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2007.366852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.366852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.366852 (E_RNA)
where:
Base-Base interactions energy: -1375.508
where: short stacking energy: -574.378
Base-Backbone interact. energy: -4.427
local terms energy: -627.431990
where:
bonds (distance) C4'-P energy: -113.337
bonds (distance) P-C4' energy: -112.835
flat angles C4'-P-C4' energy: -131.741
flat angles P-C4'-P energy: -95.455
tors. eta vs tors. theta energy: -174.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1933.237323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.237323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.237323 (E_RNA)
where:
Base-Base interactions energy: -1302.052
where: short stacking energy: -545.492
Base-Backbone interact. energy: -2.586
local terms energy: -628.599054
where:
bonds (distance) C4'-P energy: -114.537
bonds (distance) P-C4' energy: -113.416
flat angles C4'-P-C4' energy: -137.692
flat angles P-C4'-P energy: -97.600
tors. eta vs tors. theta energy: -165.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1875.588399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.588399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.588399 (E_RNA)
where:
Base-Base interactions energy: -1308.174
where: short stacking energy: -525.299
Base-Backbone interact. energy: -4.378
local terms energy: -563.036534
where:
bonds (distance) C4'-P energy: -97.613
bonds (distance) P-C4' energy: -109.868
flat angles C4'-P-C4' energy: -130.122
flat angles P-C4'-P energy: -69.321
tors. eta vs tors. theta energy: -156.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1685.637418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.637418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.637418 (E_RNA)
where:
Base-Base interactions energy: -1137.662
where: short stacking energy: -507.513
Base-Backbone interact. energy: -2.862
local terms energy: -545.114042
where:
bonds (distance) C4'-P energy: -108.457
bonds (distance) P-C4' energy: -118.330
flat angles C4'-P-C4' energy: -120.625
flat angles P-C4'-P energy: -69.152
tors. eta vs tors. theta energy: -128.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1493.251008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.251008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.251008 (E_RNA)
where:
Base-Base interactions energy: -995.841
where: short stacking energy: -406.656
Base-Backbone interact. energy: -1.094
local terms energy: -496.315250
where:
bonds (distance) C4'-P energy: -100.988
bonds (distance) P-C4' energy: -104.573
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -75.805
tors. eta vs tors. theta energy: -114.119
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: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1143.131875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.131875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.131875 (E_RNA)
where:
Base-Base interactions energy: -684.869
where: short stacking energy: -314.716
Base-Backbone interact. energy: 0.271
local terms energy: -458.533611
where:
bonds (distance) C4'-P energy: -103.245
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -105.316
flat angles P-C4'-P energy: -69.592
tors. eta vs tors. theta energy: -79.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -947.491749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.491749 (E_RNA)
where:
Base-Base interactions energy: -514.796
where: short stacking energy: -248.760
Base-Backbone interact. energy: -0.992
local terms energy: -431.703410
where:
bonds (distance) C4'-P energy: -102.078
bonds (distance) P-C4' energy: -120.942
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -61.433
tors. eta vs tors. theta energy: -39.816
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: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -627.664838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.664838 (E_RNA)
where:
Base-Base interactions energy: -289.079
where: short stacking energy: -167.158
Base-Backbone interact. energy: 2.690
local terms energy: -341.275007
where:
bonds (distance) C4'-P energy: -110.312
bonds (distance) P-C4' energy: -101.039
flat angles C4'-P-C4' energy: -106.421
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: 8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -478.415739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.415739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.415739 (E_RNA)
where:
Base-Base interactions energy: -171.997
where: short stacking energy: -124.917
Base-Backbone interact. energy: 2.620
local terms energy: -309.039169
where:
bonds (distance) C4'-P energy: -96.009
bonds (distance) P-C4' energy: -89.640
flat angles C4'-P-C4' energy: -91.090
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: 20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2154.223319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.223319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.223319 (E_RNA)
where:
Base-Base interactions energy: -1493.227
where: short stacking energy: -612.003
Base-Backbone interact. energy: -3.231
local terms energy: -657.764853
where:
bonds (distance) C4'-P energy: -116.809
bonds (distance) P-C4' energy: -129.867
flat angles C4'-P-C4' energy: -135.153
flat angles P-C4'-P energy: -95.918
tors. eta vs tors. theta energy: -180.018
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: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2030.455648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.455648 (E_RNA)
where:
Base-Base interactions energy: -1401.423
where: short stacking energy: -568.949
Base-Backbone interact. energy: 1.005
local terms energy: -630.037695
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -128.811
flat angles C4'-P-C4' energy: -131.410
flat angles P-C4'-P energy: -90.339
tors. eta vs tors. theta energy: -165.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2007.257088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.257088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.257088 (E_RNA)
where:
Base-Base interactions energy: -1364.553
where: short stacking energy: -546.013
Base-Backbone interact. energy: -0.927
local terms energy: -641.776713
where:
bonds (distance) C4'-P energy: -113.453
bonds (distance) P-C4' energy: -126.699
flat angles C4'-P-C4' energy: -126.188
flat angles P-C4'-P energy: -88.875
tors. eta vs tors. theta energy: -186.561
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: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1879.192020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.192020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.192020 (E_RNA)
where:
Base-Base interactions energy: -1277.374
where: short stacking energy: -539.316
Base-Backbone interact. energy: -2.264
local terms energy: -599.554553
where:
bonds (distance) C4'-P energy: -124.901
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -124.229
flat angles P-C4'-P energy: -82.919
tors. eta vs tors. theta energy: -156.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1699.215275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.215275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.215275 (E_RNA)
where:
Base-Base interactions energy: -1130.659
where: short stacking energy: -473.079
Base-Backbone interact. energy: -1.524
local terms energy: -567.031555
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -117.715
flat angles C4'-P-C4' energy: -119.927
flat angles P-C4'-P energy: -86.660
tors. eta vs tors. theta energy: -139.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1536.097582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.097582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.097582 (E_RNA)
where:
Base-Base interactions energy: -1015.900
where: short stacking energy: -415.354
Base-Backbone interact. energy: 0.665
local terms energy: -520.863070
where:
bonds (distance) C4'-P energy: -105.087
bonds (distance) P-C4' energy: -121.896
flat angles C4'-P-C4' energy: -103.476
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -110.806
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: 348
Temperature: 1.200000
Total energy: -1148.758028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.758028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.758028 (E_RNA)
where:
Base-Base interactions energy: -712.209
where: short stacking energy: -325.867
Base-Backbone interact. energy: -3.336
local terms energy: -433.212884
where:
bonds (distance) C4'-P energy: -82.630
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -87.790
flat angles P-C4'-P energy: -74.257
tors. eta vs tors. theta energy: -74.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -921.039965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.039965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.039965 (E_RNA)
where:
Base-Base interactions energy: -537.722
where: short stacking energy: -263.502
Base-Backbone interact. energy: 2.379
local terms energy: -385.696608
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -104.320
flat angles C4'-P-C4' energy: -87.134
flat angles P-C4'-P energy: -55.184
tors. eta vs tors. theta energy: -29.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -588.752437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.752437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.752437 (E_RNA)
where:
Base-Base interactions energy: -249.859
where: short stacking energy: -157.169
Base-Backbone interact. energy: 2.539
local terms energy: -341.432572
where:
bonds (distance) C4'-P energy: -106.743
bonds (distance) P-C4' energy: -115.798
flat angles C4'-P-C4' energy: -74.394
flat angles P-C4'-P energy: -53.033
tors. eta vs tors. theta energy: 8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -475.741562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.741562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.741562 (E_RNA)
where:
Base-Base interactions energy: -169.634
where: short stacking energy: -152.796
Base-Backbone interact. energy: -2.487
local terms energy: -303.621110
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -88.189
flat angles P-C4'-P energy: -37.671
tors. eta vs tors. theta energy: 9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2177.963937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.963937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.963937 (E_RNA)
where:
Base-Base interactions energy: -1513.736
where: short stacking energy: -632.016
Base-Backbone interact. energy: -0.945
local terms energy: -663.283865
where:
bonds (distance) C4'-P energy: -115.964
bonds (distance) P-C4' energy: -128.657
flat angles C4'-P-C4' energy: -146.756
flat angles P-C4'-P energy: -83.959
tors. eta vs tors. theta energy: -187.948
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: 349
Temperature: 0.950000
Total energy: -2054.944046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.944046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.944046 (E_RNA)
where:
Base-Base interactions energy: -1404.191
where: short stacking energy: -570.223
Base-Backbone interact. energy: -1.208
local terms energy: -649.545413
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -129.469
flat angles C4'-P-C4' energy: -143.895
flat angles P-C4'-P energy: -73.458
tors. eta vs tors. theta energy: -173.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1956.247780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.247780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.247780 (E_RNA)
where:
Base-Base interactions energy: -1325.466
where: short stacking energy: -549.342
Base-Backbone interact. energy: -0.873
local terms energy: -629.909380
where:
bonds (distance) C4'-P energy: -120.401
bonds (distance) P-C4' energy: -119.544
flat angles C4'-P-C4' energy: -129.253
flat angles P-C4'-P energy: -89.841
tors. eta vs tors. theta energy: -170.870
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: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1892.155598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.155598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.155598 (E_RNA)
where:
Base-Base interactions energy: -1290.868
where: short stacking energy: -558.155
Base-Backbone interact. energy: -0.980
local terms energy: -600.307448
where:
bonds (distance) C4'-P energy: -104.810
bonds (distance) P-C4' energy: -107.623
flat angles C4'-P-C4' energy: -131.227
flat angles P-C4'-P energy: -88.613
tors. eta vs tors. theta energy: -168.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1666.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.215921 (E_RNA)
where:
Base-Base interactions energy: -1112.843
where: short stacking energy: -473.384
Base-Backbone interact. energy: -1.238
local terms energy: -552.134869
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -106.380
flat angles C4'-P-C4' energy: -132.937
flat angles P-C4'-P energy: -75.034
tors. eta vs tors. theta energy: -135.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1507.462119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.462119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.462119 (E_RNA)
where:
Base-Base interactions energy: -961.136
where: short stacking energy: -413.257
Base-Backbone interact. energy: -1.513
local terms energy: -544.812793
where:
bonds (distance) C4'-P energy: -115.546
bonds (distance) P-C4' energy: -111.943
flat angles C4'-P-C4' energy: -127.828
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -104.673
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: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1174.703533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.703533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.703533 (E_RNA)
where:
Base-Base interactions energy: -752.891
where: short stacking energy: -319.739
Base-Backbone interact. energy: -2.429
local terms energy: -419.383288
where:
bonds (distance) C4'-P energy: -113.733
bonds (distance) P-C4' energy: -97.412
flat angles C4'-P-C4' energy: -82.641
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -50.873
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -918.932186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.932186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.932186 (E_RNA)
where:
Base-Base interactions energy: -528.053
where: short stacking energy: -263.997
Base-Backbone interact. energy: 5.531
local terms energy: -396.410312
where:
bonds (distance) C4'-P energy: -108.378
bonds (distance) P-C4' energy: -103.381
flat angles C4'-P-C4' energy: -98.143
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -617.097194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.097194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.097194 (E_RNA)
where:
Base-Base interactions energy: -287.553
where: short stacking energy: -178.003
Base-Backbone interact. energy: -0.181
local terms energy: -329.363114
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -119.805
flat angles C4'-P-C4' energy: -75.918
flat angles P-C4'-P energy: -42.279
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -454.976488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.976488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.976488 (E_RNA)
where:
Base-Base interactions energy: -141.050
where: short stacking energy: -114.471
Base-Backbone interact. energy: -1.914
local terms energy: -312.012821
where:
bonds (distance) C4'-P energy: -101.884
bonds (distance) P-C4' energy: -136.197
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -26.667
tors. eta vs tors. theta energy: 28.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2165.650974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.650974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.650974 (E_RNA)
where:
Base-Base interactions energy: -1503.474
where: short stacking energy: -610.194
Base-Backbone interact. energy: -0.837
local terms energy: -661.339942
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -127.310
flat angles C4'-P-C4' energy: -139.489
flat angles P-C4'-P energy: -99.319
tors. eta vs tors. theta energy: -181.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2055.698541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.698541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.698541 (E_RNA)
where:
Base-Base interactions energy: -1431.304
where: short stacking energy: -587.679
Base-Backbone interact. energy: 1.523
local terms energy: -625.917367
where:
bonds (distance) C4'-P energy: -117.839
bonds (distance) P-C4' energy: -107.861
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -170.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1946.567933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.567933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.567933 (E_RNA)
where:
Base-Base interactions energy: -1327.839
where: short stacking energy: -539.422
Base-Backbone interact. energy: -1.927
local terms energy: -616.801938
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -126.111
flat angles C4'-P-C4' energy: -134.110
flat angles P-C4'-P energy: -85.143
tors. eta vs tors. theta energy: -162.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1893.216324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.216324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.216324 (E_RNA)
where:
Base-Base interactions energy: -1303.794
where: short stacking energy: -545.564
Base-Backbone interact. energy: -0.894
local terms energy: -588.528628
where:
bonds (distance) C4'-P energy: -126.721
bonds (distance) P-C4' energy: -109.692
flat angles C4'-P-C4' energy: -119.869
flat angles P-C4'-P energy: -80.163
tors. eta vs tors. theta energy: -152.084
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: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1706.985617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.985617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.985617 (E_RNA)
where:
Base-Base interactions energy: -1146.429
where: short stacking energy: -491.691
Base-Backbone interact. energy: -3.148
local terms energy: -557.408775
where:
bonds (distance) C4'-P energy: -101.542
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -113.696
flat angles P-C4'-P energy: -70.786
tors. eta vs tors. theta energy: -156.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1517.765507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.765507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.765507 (E_RNA)
where:
Base-Base interactions energy: -1009.344
where: short stacking energy: -440.013
Base-Backbone interact. energy: -1.715
local terms energy: -506.706589
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -107.525
flat angles C4'-P-C4' energy: -103.564
flat angles P-C4'-P energy: -85.059
tors. eta vs tors. theta energy: -121.509
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: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -981.463953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.463953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.463953 (E_RNA)
where:
Base-Base interactions energy: -566.023
where: short stacking energy: -277.826
Base-Backbone interact. energy: -2.023
local terms energy: -413.417322
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -107.523
flat angles C4'-P-C4' energy: -95.271
flat angles P-C4'-P energy: -65.928
tors. eta vs tors. theta energy: -51.804
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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1099.073548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.073548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.073548 (E_RNA)
where:
Base-Base interactions energy: -679.418
where: short stacking energy: -297.729
Base-Backbone interact. energy: -0.490
local terms energy: -419.165207
where:
bonds (distance) C4'-P energy: -93.572
bonds (distance) P-C4' energy: -114.170
flat angles C4'-P-C4' energy: -94.304
flat angles P-C4'-P energy: -62.064
tors. eta vs tors. theta energy: -55.055
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: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -628.867597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.867597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.867597 (E_RNA)
where:
Base-Base interactions energy: -269.304
where: short stacking energy: -165.583
Base-Backbone interact. energy: 1.631
local terms energy: -361.194474
where:
bonds (distance) C4'-P energy: -107.072
bonds (distance) P-C4' energy: -107.258
flat angles C4'-P-C4' energy: -93.782
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: 6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -474.307697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.307697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.307697 (E_RNA)
where:
Base-Base interactions energy: -154.034
where: short stacking energy: -121.007
Base-Backbone interact. energy: 4.969
local terms energy: -325.242460
where:
bonds (distance) C4'-P energy: -97.875
bonds (distance) P-C4' energy: -115.657
flat angles C4'-P-C4' energy: -81.806
flat angles P-C4'-P energy: -56.570
tors. eta vs tors. theta energy: 26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2170.813014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.813014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.813014 (E_RNA)
where:
Base-Base interactions energy: -1499.789
where: short stacking energy: -630.044
Base-Backbone interact. energy: -4.419
local terms energy: -666.605127
where:
bonds (distance) C4'-P energy: -126.241
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -144.759
flat angles P-C4'-P energy: -95.048
tors. eta vs tors. theta energy: -186.479
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: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2074.620248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.620248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.620248 (E_RNA)
where:
Base-Base interactions energy: -1424.634
where: short stacking energy: -582.634
Base-Backbone interact. energy: -3.144
local terms energy: -646.842198
where:
bonds (distance) C4'-P energy: -121.345
bonds (distance) P-C4' energy: -117.813
flat angles C4'-P-C4' energy: -132.652
flat angles P-C4'-P energy: -92.696
tors. eta vs tors. theta energy: -182.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1955.892894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.892894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.892894 (E_RNA)
where:
Base-Base interactions energy: -1347.508
where: short stacking energy: -540.739
Base-Backbone interact. energy: -3.611
local terms energy: -604.773839
where:
bonds (distance) C4'-P energy: -108.912
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -130.033
flat angles P-C4'-P energy: -78.953
tors. eta vs tors. theta energy: -171.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1866.758302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.758302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.758302 (E_RNA)
where:
Base-Base interactions energy: -1277.362
where: short stacking energy: -542.506
Base-Backbone interact. energy: -0.481
local terms energy: -588.915446
where:
bonds (distance) C4'-P energy: -105.413
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -108.721
flat angles P-C4'-P energy: -86.188
tors. eta vs tors. theta energy: -169.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1738.576316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.576316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.576316 (E_RNA)
where:
Base-Base interactions energy: -1153.293
where: short stacking energy: -511.753
Base-Backbone interact. energy: -3.555
local terms energy: -581.728663
where:
bonds (distance) C4'-P energy: -118.786
bonds (distance) P-C4' energy: -114.628
flat angles C4'-P-C4' energy: -125.557
flat angles P-C4'-P energy: -68.278
tors. eta vs tors. theta energy: -154.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1629.773851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.773851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.773851 (E_RNA)
where:
Base-Base interactions energy: -1101.725
where: short stacking energy: -497.994
Base-Backbone interact. energy: 1.250
local terms energy: -529.299000
where:
bonds (distance) C4'-P energy: -92.650
bonds (distance) P-C4' energy: -103.387
flat angles C4'-P-C4' energy: -111.005
flat angles P-C4'-P energy: -73.300
tors. eta vs tors. theta energy: -148.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1012.497949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.497949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.497949 (E_RNA)
where:
Base-Base interactions energy: -581.270
where: short stacking energy: -288.515
Base-Backbone interact. energy: 3.805
local terms energy: -435.033012
where:
bonds (distance) C4'-P energy: -115.251
bonds (distance) P-C4' energy: -105.278
flat angles C4'-P-C4' energy: -116.113
flat angles P-C4'-P energy: -62.576
tors. eta vs tors. theta energy: -35.815
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1078.670041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.670041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.670041 (E_RNA)
where:
Base-Base interactions energy: -682.164
where: short stacking energy: -327.162
Base-Backbone interact. energy: 5.749
local terms energy: -402.255188
where:
bonds (distance) C4'-P energy: -87.495
bonds (distance) P-C4' energy: -109.516
flat angles C4'-P-C4' energy: -91.921
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: -55.436
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -640.572941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.572941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.572941 (E_RNA)
where:
Base-Base interactions energy: -283.277
where: short stacking energy: -183.677
Base-Backbone interact. energy: 2.706
local terms energy: -360.001597
where:
bonds (distance) C4'-P energy: -103.844
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -84.509
flat angles P-C4'-P energy: -59.326
tors. eta vs tors. theta energy: 2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -501.196059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.196059 (E_RNA)
where:
Base-Base interactions energy: -158.453
where: short stacking energy: -120.691
Base-Backbone interact. energy: -1.169
local terms energy: -341.573653
where:
bonds (distance) C4'-P energy: -122.244
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -84.772
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: 24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2186.638792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.638792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.638792 (E_RNA)
where:
Base-Base interactions energy: -1531.957
where: short stacking energy: -611.608
Base-Backbone interact. energy: -3.413
local terms energy: -651.269103
where:
bonds (distance) C4'-P energy: -114.372
bonds (distance) P-C4' energy: -136.011
flat angles C4'-P-C4' energy: -126.219
flat angles P-C4'-P energy: -95.133
tors. eta vs tors. theta energy: -179.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2040.856062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.856062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.856062 (E_RNA)
where:
Base-Base interactions energy: -1396.774
where: short stacking energy: -584.478
Base-Backbone interact. energy: -1.605
local terms energy: -642.476431
where:
bonds (distance) C4'-P energy: -127.617
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -131.613
flat angles P-C4'-P energy: -77.001
tors. eta vs tors. theta energy: -185.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1962.612241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.612241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.612241 (E_RNA)
where:
Base-Base interactions energy: -1336.116
where: short stacking energy: -539.308
Base-Backbone interact. energy: -5.263
local terms energy: -621.232961
where:
bonds (distance) C4'-P energy: -115.134
bonds (distance) P-C4' energy: -119.958
flat angles C4'-P-C4' energy: -134.805
flat angles P-C4'-P energy: -87.285
tors. eta vs tors. theta energy: -164.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1838.736464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.736464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.736464 (E_RNA)
where:
Base-Base interactions energy: -1252.788
where: short stacking energy: -528.407
Base-Backbone interact. energy: -1.031
local terms energy: -584.917637
where:
bonds (distance) C4'-P energy: -105.671
bonds (distance) P-C4' energy: -122.928
flat angles C4'-P-C4' energy: -126.119
flat angles P-C4'-P energy: -82.078
tors. eta vs tors. theta energy: -148.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1661.547297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.547297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.547297 (E_RNA)
where:
Base-Base interactions energy: -1105.474
where: short stacking energy: -471.002
Base-Backbone interact. energy: -6.104
local terms energy: -549.969511
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -125.381
flat angles C4'-P-C4' energy: -108.169
flat angles P-C4'-P energy: -76.307
tors. eta vs tors. theta energy: -136.975
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: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1626.565457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.565457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.565457 (E_RNA)
where:
Base-Base interactions energy: -1084.729
where: short stacking energy: -469.097
Base-Backbone interact. energy: -1.070
local terms energy: -540.766405
where:
bonds (distance) C4'-P energy: -120.590
bonds (distance) P-C4' energy: -86.438
flat angles C4'-P-C4' energy: -123.127
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -140.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1187.779630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.779630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.779630 (E_RNA)
where:
Base-Base interactions energy: -753.519
where: short stacking energy: -341.461
Base-Backbone interact. energy: -1.847
local terms energy: -432.413618
where:
bonds (distance) C4'-P energy: -103.881
bonds (distance) P-C4' energy: -110.374
flat angles C4'-P-C4' energy: -113.470
flat angles P-C4'-P energy: -60.800
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -964.814046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.814046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.814046 (E_RNA)
where:
Base-Base interactions energy: -551.270
where: short stacking energy: -272.725
Base-Backbone interact. energy: -1.694
local terms energy: -411.850055
where:
bonds (distance) C4'-P energy: -96.294
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -111.141
flat angles P-C4'-P energy: -64.042
tors. eta vs tors. theta energy: -31.811
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: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -641.835525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.835525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.835525 (E_RNA)
where:
Base-Base interactions energy: -286.508
where: short stacking energy: -188.672
Base-Backbone interact. energy: 0.174
local terms energy: -355.501744
where:
bonds (distance) C4'-P energy: -108.077
bonds (distance) P-C4' energy: -95.044
flat angles C4'-P-C4' energy: -98.683
flat angles P-C4'-P energy: -58.323
tors. eta vs tors. theta energy: 4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -496.343536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.343536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.343536 (E_RNA)
where:
Base-Base interactions energy: -183.807
where: short stacking energy: -115.447
Base-Backbone interact. energy: 0.155
local terms energy: -312.692057
where:
bonds (distance) C4'-P energy: -93.678
bonds (distance) P-C4' energy: -103.420
flat angles C4'-P-C4' energy: -71.260
flat angles P-C4'-P energy: -65.331
tors. eta vs tors. theta energy: 20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2159.301719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.301719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.301719 (E_RNA)
where:
Base-Base interactions energy: -1492.885
where: short stacking energy: -584.837
Base-Backbone interact. energy: -6.218
local terms energy: -660.198912
where:
bonds (distance) C4'-P energy: -131.874
bonds (distance) P-C4' energy: -127.864
flat angles C4'-P-C4' energy: -129.381
flat angles P-C4'-P energy: -91.420
tors. eta vs tors. theta energy: -179.660
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: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2061.194636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.194636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.194636 (E_RNA)
where:
Base-Base interactions energy: -1409.064
where: short stacking energy: -583.668
Base-Backbone interact. energy: -3.128
local terms energy: -649.003357
where:
bonds (distance) C4'-P energy: -115.486
bonds (distance) P-C4' energy: -118.361
flat angles C4'-P-C4' energy: -136.637
flat angles P-C4'-P energy: -97.250
tors. eta vs tors. theta energy: -181.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1968.406534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.406534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.406534 (E_RNA)
where:
Base-Base interactions energy: -1338.489
where: short stacking energy: -523.929
Base-Backbone interact. energy: -1.458
local terms energy: -628.459647
where:
bonds (distance) C4'-P energy: -117.660
bonds (distance) P-C4' energy: -126.388
flat angles C4'-P-C4' energy: -120.409
flat angles P-C4'-P energy: -93.683
tors. eta vs tors. theta energy: -170.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1858.007846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.007846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.007846 (E_RNA)
where:
Base-Base interactions energy: -1271.300
where: short stacking energy: -545.978
Base-Backbone interact. energy: -0.960
local terms energy: -585.747418
where:
bonds (distance) C4'-P energy: -91.679
bonds (distance) P-C4' energy: -120.330
flat angles C4'-P-C4' energy: -140.940
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -147.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1654.564273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.564273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.564273 (E_RNA)
where:
Base-Base interactions energy: -1103.270
where: short stacking energy: -445.025
Base-Backbone interact. energy: 2.206
local terms energy: -553.499991
where:
bonds (distance) C4'-P energy: -107.085
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -122.041
flat angles P-C4'-P energy: -69.071
tors. eta vs tors. theta energy: -128.520
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1591.965616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.965616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.965616 (E_RNA)
where:
Base-Base interactions energy: -1050.706
where: short stacking energy: -449.736
Base-Backbone interact. energy: -2.143
local terms energy: -539.117243
where:
bonds (distance) C4'-P energy: -116.734
bonds (distance) P-C4' energy: -100.943
flat angles C4'-P-C4' energy: -127.667
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -129.601
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: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1156.150197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.150197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.150197 (E_RNA)
where:
Base-Base interactions energy: -722.287
where: short stacking energy: -325.856
Base-Backbone interact. energy: 0.749
local terms energy: -434.611496
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -104.608
flat angles C4'-P-C4' energy: -109.670
flat angles P-C4'-P energy: -60.996
tors. eta vs tors. theta energy: -64.444
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: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -948.136082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.136082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.136082 (E_RNA)
where:
Base-Base interactions energy: -567.408
where: short stacking energy: -288.129
Base-Backbone interact. energy: 3.249
local terms energy: -383.977423
where:
bonds (distance) C4'-P energy: -107.166
bonds (distance) P-C4' energy: -120.030
flat angles C4'-P-C4' energy: -72.243
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -593.571515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.571515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.571515 (E_RNA)
where:
Base-Base interactions energy: -233.173
where: short stacking energy: -165.652
Base-Backbone interact. energy: -2.088
local terms energy: -358.309715
where:
bonds (distance) C4'-P energy: -96.550
bonds (distance) P-C4' energy: -106.315
flat angles C4'-P-C4' energy: -86.046
flat angles P-C4'-P energy: -69.911
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -451.429394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.429394 (E_RNA)
where:
Base-Base interactions energy: -184.342
where: short stacking energy: -119.967
Base-Backbone interact. energy: 5.004
local terms energy: -272.091135
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -78.451
flat angles C4'-P-C4' energy: -92.537
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: 40.391
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: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2194.613453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.613453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.613453 (E_RNA)
where:
Base-Base interactions energy: -1546.268
where: short stacking energy: -628.553
Base-Backbone interact. energy: 4.044
local terms energy: -652.389187
where:
bonds (distance) C4'-P energy: -127.705
bonds (distance) P-C4' energy: -117.779
flat angles C4'-P-C4' energy: -127.291
flat angles P-C4'-P energy: -97.855
tors. eta vs tors. theta energy: -181.759
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: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2098.178156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.178156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.178156 (E_RNA)
where:
Base-Base interactions energy: -1426.511
where: short stacking energy: -610.838
Base-Backbone interact. energy: -0.146
local terms energy: -671.521091
where:
bonds (distance) C4'-P energy: -132.652
bonds (distance) P-C4' energy: -112.583
flat angles C4'-P-C4' energy: -139.062
flat angles P-C4'-P energy: -94.707
tors. eta vs tors. theta energy: -192.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1982.868603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.868603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.868603 (E_RNA)
where:
Base-Base interactions energy: -1349.032
where: short stacking energy: -549.555
Base-Backbone interact. energy: 5.559
local terms energy: -639.395430
where:
bonds (distance) C4'-P energy: -129.357
bonds (distance) P-C4' energy: -114.010
flat angles C4'-P-C4' energy: -134.870
flat angles P-C4'-P energy: -78.533
tors. eta vs tors. theta energy: -182.625
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: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1833.717318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.717318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.717318 (E_RNA)
where:
Base-Base interactions energy: -1245.270
where: short stacking energy: -523.467
Base-Backbone interact. energy: -0.031
local terms energy: -588.416545
where:
bonds (distance) C4'-P energy: -103.712
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -123.987
flat angles P-C4'-P energy: -98.501
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: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1696.767634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.767634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.767634 (E_RNA)
where:
Base-Base interactions energy: -1171.877
where: short stacking energy: -456.949
Base-Backbone interact. energy: 2.421
local terms energy: -527.311237
where:
bonds (distance) C4'-P energy: -109.247
bonds (distance) P-C4' energy: -118.791
flat angles C4'-P-C4' energy: -102.947
flat angles P-C4'-P energy: -72.138
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: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1604.876130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.876130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.876130 (E_RNA)
where:
Base-Base interactions energy: -1039.994
where: short stacking energy: -459.816
Base-Backbone interact. energy: -0.733
local terms energy: -564.149225
where:
bonds (distance) C4'-P energy: -115.311
bonds (distance) P-C4' energy: -117.185
flat angles C4'-P-C4' energy: -116.650
flat angles P-C4'-P energy: -77.925
tors. eta vs tors. theta energy: -137.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1214.783109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.783109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.783109 (E_RNA)
where:
Base-Base interactions energy: -778.335
where: short stacking energy: -333.498
Base-Backbone interact. energy: 0.269
local terms energy: -436.717061
where:
bonds (distance) C4'-P energy: -92.439
bonds (distance) P-C4' energy: -105.431
flat angles C4'-P-C4' energy: -102.987
flat angles P-C4'-P energy: -61.819
tors. eta vs tors. theta energy: -74.041
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: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -942.847889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.847889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.847889 (E_RNA)
where:
Base-Base interactions energy: -541.317
where: short stacking energy: -257.022
Base-Backbone interact. energy: -2.637
local terms energy: -398.893324
where:
bonds (distance) C4'-P energy: -103.784
bonds (distance) P-C4' energy: -103.079
flat angles C4'-P-C4' energy: -99.883
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -34.657
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: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -608.555096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.555096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.555096 (E_RNA)
where:
Base-Base interactions energy: -247.916
where: short stacking energy: -153.804
Base-Backbone interact. energy: -3.260
local terms energy: -357.378979
where:
bonds (distance) C4'-P energy: -101.497
bonds (distance) P-C4' energy: -117.733
flat angles C4'-P-C4' energy: -85.474
flat angles P-C4'-P energy: -62.216
tors. eta vs tors. theta energy: 9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -475.671895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.671895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.671895 (E_RNA)
where:
Base-Base interactions energy: -182.766
where: short stacking energy: -133.408
Base-Backbone interact. energy: 3.580
local terms energy: -296.486184
where:
bonds (distance) C4'-P energy: -103.145
bonds (distance) P-C4' energy: -94.142
flat angles C4'-P-C4' energy: -92.875
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: 27.147
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: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2179.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.999186 (E_RNA)
where:
Base-Base interactions energy: -1527.539
where: short stacking energy: -628.446
Base-Backbone interact. energy: -1.218
local terms energy: -651.242788
where:
bonds (distance) C4'-P energy: -116.022
bonds (distance) P-C4' energy: -121.193
flat angles C4'-P-C4' energy: -131.155
flat angles P-C4'-P energy: -100.964
tors. eta vs tors. theta energy: -181.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2079.098249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.098249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.098249 (E_RNA)
where:
Base-Base interactions energy: -1429.739
where: short stacking energy: -582.137
Base-Backbone interact. energy: -0.138
local terms energy: -649.221896
where:
bonds (distance) C4'-P energy: -121.620
bonds (distance) P-C4' energy: -121.968
flat angles C4'-P-C4' energy: -133.703
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -176.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1984.369582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.369582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.369582 (E_RNA)
where:
Base-Base interactions energy: -1349.240
where: short stacking energy: -561.196
Base-Backbone interact. energy: -0.969
local terms energy: -634.160554
where:
bonds (distance) C4'-P energy: -120.542
bonds (distance) P-C4' energy: -119.962
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -77.672
tors. eta vs tors. theta energy: -183.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1774.699329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.699329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.699329 (E_RNA)
where:
Base-Base interactions energy: -1208.690
where: short stacking energy: -502.806
Base-Backbone interact. energy: -2.651
local terms energy: -563.359010
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -107.865
flat angles C4'-P-C4' energy: -119.953
flat angles P-C4'-P energy: -86.187
tors. eta vs tors. theta energy: -145.539
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1665.641095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.641095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.641095 (E_RNA)
where:
Base-Base interactions energy: -1109.532
where: short stacking energy: -428.954
Base-Backbone interact. energy: -3.635
local terms energy: -552.473734
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -105.742
flat angles C4'-P-C4' energy: -127.880
flat angles P-C4'-P energy: -77.736
tors. eta vs tors. theta energy: -134.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1580.414754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.414754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.414754 (E_RNA)
where:
Base-Base interactions energy: -1067.974
where: short stacking energy: -440.642
Base-Backbone interact. energy: 2.825
local terms energy: -515.266092
where:
bonds (distance) C4'-P energy: -90.500
bonds (distance) P-C4' energy: -100.098
flat angles C4'-P-C4' energy: -115.968
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -126.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1153.458201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.458201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.458201 (E_RNA)
where:
Base-Base interactions energy: -734.473
where: short stacking energy: -324.428
Base-Backbone interact. energy: -0.446
local terms energy: -418.539693
where:
bonds (distance) C4'-P energy: -103.436
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -101.609
flat angles P-C4'-P energy: -56.917
tors. eta vs tors. theta energy: -60.682
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: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -921.167689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.167689 (E_RNA)
where:
Base-Base interactions energy: -538.395
where: short stacking energy: -249.089
Base-Backbone interact. energy: 3.849
local terms energy: -386.622581
where:
bonds (distance) C4'-P energy: -98.883
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -110.916
flat angles P-C4'-P energy: -52.655
tors. eta vs tors. theta energy: -31.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -588.698087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.698087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.698087 (E_RNA)
where:
Base-Base interactions energy: -246.765
where: short stacking energy: -154.250
Base-Backbone interact. energy: -0.176
local terms energy: -341.756398
where:
bonds (distance) C4'-P energy: -106.916
bonds (distance) P-C4' energy: -105.898
flat angles C4'-P-C4' energy: -85.497
flat angles P-C4'-P energy: -59.847
tors. eta vs tors. theta energy: 16.402
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: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -466.682996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.682996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.682996 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -130.868
Base-Backbone interact. energy: -0.996
local terms energy: -303.642533
where:
bonds (distance) C4'-P energy: -92.516
bonds (distance) P-C4' energy: -105.671
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -50.631
tors. eta vs tors. theta energy: 31.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2203.812927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.812927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.812927 (E_RNA)
where:
Base-Base interactions energy: -1530.941
where: short stacking energy: -611.792
Base-Backbone interact. energy: -1.343
local terms energy: -671.528428
where:
bonds (distance) C4'-P energy: -123.281
bonds (distance) P-C4' energy: -123.284
flat angles C4'-P-C4' energy: -148.950
flat angles P-C4'-P energy: -86.798
tors. eta vs tors. theta energy: -189.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2063.621035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.621035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.621035 (E_RNA)
where:
Base-Base interactions energy: -1419.403
where: short stacking energy: -579.064
Base-Backbone interact. energy: -4.320
local terms energy: -639.898233
where:
bonds (distance) C4'-P energy: -124.626
bonds (distance) P-C4' energy: -116.868
flat angles C4'-P-C4' energy: -130.781
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -189.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1961.344870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.344870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.344870 (E_RNA)
where:
Base-Base interactions energy: -1335.059
where: short stacking energy: -560.031
Base-Backbone interact. energy: -3.849
local terms energy: -622.437359
where:
bonds (distance) C4'-P energy: -107.035
bonds (distance) P-C4' energy: -100.544
flat angles C4'-P-C4' energy: -141.988
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -179.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1776.119967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.119967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.119967 (E_RNA)
where:
Base-Base interactions energy: -1219.702
where: short stacking energy: -506.186
Base-Backbone interact. energy: -2.610
local terms energy: -553.807610
where:
bonds (distance) C4'-P energy: -108.586
bonds (distance) P-C4' energy: -119.391
flat angles C4'-P-C4' energy: -114.037
flat angles P-C4'-P energy: -75.186
tors. eta vs tors. theta energy: -136.608
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: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1680.291186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.291186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.291186 (E_RNA)
where:
Base-Base interactions energy: -1104.592
where: short stacking energy: -499.771
Base-Backbone interact. energy: -1.142
local terms energy: -574.557552
where:
bonds (distance) C4'-P energy: -105.181
bonds (distance) P-C4' energy: -118.510
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -148.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1655.300376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.300376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.300376 (E_RNA)
where:
Base-Base interactions energy: -1100.326
where: short stacking energy: -476.273
Base-Backbone interact. energy: -3.070
local terms energy: -551.904403
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -113.672
flat angles C4'-P-C4' energy: -122.565
flat angles P-C4'-P energy: -76.913
tors. eta vs tors. theta energy: -148.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1171.980849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.980849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.980849 (E_RNA)
where:
Base-Base interactions energy: -755.347
where: short stacking energy: -348.343
Base-Backbone interact. energy: -0.953
local terms energy: -415.680212
where:
bonds (distance) C4'-P energy: -86.385
bonds (distance) P-C4' energy: -112.218
flat angles C4'-P-C4' energy: -101.028
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -58.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -938.172020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.172020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.172020 (E_RNA)
where:
Base-Base interactions energy: -571.446
where: short stacking energy: -243.548
Base-Backbone interact. energy: 3.095
local terms energy: -369.821664
where:
bonds (distance) C4'-P energy: -96.981
bonds (distance) P-C4' energy: -92.401
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -51.996
tors. eta vs tors. theta energy: -42.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -605.344558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.344558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.344558 (E_RNA)
where:
Base-Base interactions energy: -255.921
where: short stacking energy: -173.369
Base-Backbone interact. energy: 5.244
local terms energy: -354.667446
where:
bonds (distance) C4'-P energy: -83.130
bonds (distance) P-C4' energy: -110.770
flat angles C4'-P-C4' energy: -85.619
flat angles P-C4'-P energy: -54.675
tors. eta vs tors. theta energy: -20.473
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: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -478.912179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.912179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.912179 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -131.092
Base-Backbone interact. energy: 13.985
local terms energy: -339.741720
where:
bonds (distance) C4'-P energy: -94.067
bonds (distance) P-C4' energy: -111.810
flat angles C4'-P-C4' energy: -90.870
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: 28.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2200.889529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.889529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.889529 (E_RNA)
where:
Base-Base interactions energy: -1546.397
where: short stacking energy: -639.797
Base-Backbone interact. energy: 0.680
local terms energy: -655.172771
where:
bonds (distance) C4'-P energy: -121.217
bonds (distance) P-C4' energy: -104.648
flat angles C4'-P-C4' energy: -132.831
flat angles P-C4'-P energy: -110.123
tors. eta vs tors. theta energy: -186.353
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: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2080.536647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.536647 (E_RNA)
where:
Base-Base interactions energy: -1427.898
where: short stacking energy: -587.704
Base-Backbone interact. energy: -5.069
local terms energy: -647.569841
where:
bonds (distance) C4'-P energy: -120.985
bonds (distance) P-C4' energy: -118.603
flat angles C4'-P-C4' energy: -126.956
flat angles P-C4'-P energy: -99.227
tors. eta vs tors. theta energy: -181.798
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: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1957.805153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.805153 (E_RNA)
where:
Base-Base interactions energy: -1336.812
where: short stacking energy: -562.253
Base-Backbone interact. energy: -3.220
local terms energy: -617.773377
where:
bonds (distance) C4'-P energy: -101.826
bonds (distance) P-C4' energy: -123.031
flat angles C4'-P-C4' energy: -129.573
flat angles P-C4'-P energy: -84.345
tors. eta vs tors. theta energy: -178.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1769.339300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.339300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.339300 (E_RNA)
where:
Base-Base interactions energy: -1172.346
where: short stacking energy: -505.211
Base-Backbone interact. energy: -3.080
local terms energy: -593.913419
where:
bonds (distance) C4'-P energy: -117.077
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -115.870
flat angles P-C4'-P energy: -94.149
tors. eta vs tors. theta energy: -138.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1724.041137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.041137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.041137 (E_RNA)
where:
Base-Base interactions energy: -1142.207
where: short stacking energy: -510.145
Base-Backbone interact. energy: -2.858
local terms energy: -578.976501
where:
bonds (distance) C4'-P energy: -104.395
bonds (distance) P-C4' energy: -121.324
flat angles C4'-P-C4' energy: -130.263
flat angles P-C4'-P energy: -75.550
tors. eta vs tors. theta energy: -147.445
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: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1671.677846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.677846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.677846 (E_RNA)
where:
Base-Base interactions energy: -1122.123
where: short stacking energy: -492.625
Base-Backbone interact. energy: -0.521
local terms energy: -549.033497
where:
bonds (distance) C4'-P energy: -94.745
bonds (distance) P-C4' energy: -97.963
flat angles C4'-P-C4' energy: -122.815
flat angles P-C4'-P energy: -95.757
tors. eta vs tors. theta energy: -137.754
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: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1214.134335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.134335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.134335 (E_RNA)
where:
Base-Base interactions energy: -763.454
where: short stacking energy: -351.345
Base-Backbone interact. energy: -0.302
local terms energy: -450.378830
where:
bonds (distance) C4'-P energy: -102.606
bonds (distance) P-C4' energy: -110.217
flat angles C4'-P-C4' energy: -114.947
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -55.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -981.567133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.567133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.567133 (E_RNA)
where:
Base-Base interactions energy: -574.370
where: short stacking energy: -297.853
Base-Backbone interact. energy: 2.225
local terms energy: -409.422159
where:
bonds (distance) C4'-P energy: -100.855
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -104.862
flat angles P-C4'-P energy: -56.657
tors. eta vs tors. theta energy: -51.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -601.863755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.863755 (E_RNA)
where:
Base-Base interactions energy: -243.773
where: short stacking energy: -160.472
Base-Backbone interact. energy: 0.570
local terms energy: -358.660745
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -103.739
flat angles C4'-P-C4' energy: -75.158
flat angles P-C4'-P energy: -62.282
tors. eta vs tors. theta energy: 4.411
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: 357
Temperature: 1.350000
Total energy: -467.743977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.743977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.743977 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -96.314
Base-Backbone interact. energy: -3.203
local terms energy: -313.626433
where:
bonds (distance) C4'-P energy: -101.192
bonds (distance) P-C4' energy: -106.119
flat angles C4'-P-C4' energy: -83.380
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: 24.067
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2175.075664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.075664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.075664 (E_RNA)
where:
Base-Base interactions energy: -1537.805
where: short stacking energy: -624.253
Base-Backbone interact. energy: -0.038
local terms energy: -637.233352
where:
bonds (distance) C4'-P energy: -99.966
bonds (distance) P-C4' energy: -115.496
flat angles C4'-P-C4' energy: -139.480
flat angles P-C4'-P energy: -94.626
tors. eta vs tors. theta energy: -187.666
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: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2034.346519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.346519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.346519 (E_RNA)
where:
Base-Base interactions energy: -1389.807
where: short stacking energy: -561.826
Base-Backbone interact. energy: -3.538
local terms energy: -641.001875
where:
bonds (distance) C4'-P energy: -123.245
bonds (distance) P-C4' energy: -123.168
flat angles C4'-P-C4' energy: -134.842
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -172.389
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: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1985.521481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.521481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.521481 (E_RNA)
where:
Base-Base interactions energy: -1364.973
where: short stacking energy: -556.213
Base-Backbone interact. energy: -2.417
local terms energy: -618.131766
where:
bonds (distance) C4'-P energy: -111.842
bonds (distance) P-C4' energy: -114.383
flat angles C4'-P-C4' energy: -122.082
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -180.198
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: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1771.451861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.451861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.451861 (E_RNA)
where:
Base-Base interactions energy: -1192.801
where: short stacking energy: -523.742
Base-Backbone interact. energy: 0.742
local terms energy: -579.392730
where:
bonds (distance) C4'-P energy: -110.700
bonds (distance) P-C4' energy: -113.161
flat angles C4'-P-C4' energy: -128.497
flat angles P-C4'-P energy: -72.147
tors. eta vs tors. theta energy: -154.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1745.535023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.535023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.535023 (E_RNA)
where:
Base-Base interactions energy: -1154.376
where: short stacking energy: -495.409
Base-Backbone interact. energy: -3.612
local terms energy: -587.547397
where:
bonds (distance) C4'-P energy: -110.095
bonds (distance) P-C4' energy: -120.547
flat angles C4'-P-C4' energy: -132.861
flat angles P-C4'-P energy: -79.883
tors. eta vs tors. theta energy: -144.161
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: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1646.920233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.920233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.920233 (E_RNA)
where:
Base-Base interactions energy: -1079.860
where: short stacking energy: -450.256
Base-Backbone interact. energy: -2.296
local terms energy: -564.764304
where:
bonds (distance) C4'-P energy: -108.855
bonds (distance) P-C4' energy: -116.173
flat angles C4'-P-C4' energy: -122.110
flat angles P-C4'-P energy: -83.848
tors. eta vs tors. theta energy: -133.779
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1215.655690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.655690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.655690 (E_RNA)
where:
Base-Base interactions energy: -769.908
where: short stacking energy: -326.310
Base-Backbone interact. energy: -2.284
local terms energy: -443.463881
where:
bonds (distance) C4'-P energy: -103.211
bonds (distance) P-C4' energy: -120.027
flat angles C4'-P-C4' energy: -106.160
flat angles P-C4'-P energy: -49.482
tors. eta vs tors. theta energy: -64.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -913.706595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.706595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.706595 (E_RNA)
where:
Base-Base interactions energy: -533.710
where: short stacking energy: -256.401
Base-Backbone interact. energy: -3.309
local terms energy: -376.687953
where:
bonds (distance) C4'-P energy: -87.169
bonds (distance) P-C4' energy: -112.317
flat angles C4'-P-C4' energy: -101.807
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -26.500
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -583.388664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.388664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.388664 (E_RNA)
where:
Base-Base interactions energy: -275.684
where: short stacking energy: -172.541
Base-Backbone interact. energy: 2.098
local terms energy: -309.802640
where:
bonds (distance) C4'-P energy: -86.560
bonds (distance) P-C4' energy: -111.717
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: 6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -533.405673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.405673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.405673 (E_RNA)
where:
Base-Base interactions energy: -192.936
where: short stacking energy: -152.214
Base-Backbone interact. energy: -1.475
local terms energy: -338.995138
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -96.554
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: 13.081
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: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2185.811857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.811857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.811857 (E_RNA)
where:
Base-Base interactions energy: -1516.611
where: short stacking energy: -616.641
Base-Backbone interact. energy: -3.254
local terms energy: -665.947026
where:
bonds (distance) C4'-P energy: -119.619
bonds (distance) P-C4' energy: -132.383
flat angles C4'-P-C4' energy: -136.984
flat angles P-C4'-P energy: -94.388
tors. eta vs tors. theta energy: -182.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2047.639491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.639491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.639491 (E_RNA)
where:
Base-Base interactions energy: -1434.183
where: short stacking energy: -560.423
Base-Backbone interact. energy: 0.281
local terms energy: -613.737498
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -132.921
flat angles P-C4'-P energy: -78.901
tors. eta vs tors. theta energy: -167.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1974.715826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.715826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.715826 (E_RNA)
where:
Base-Base interactions energy: -1341.858
where: short stacking energy: -544.767
Base-Backbone interact. energy: -0.873
local terms energy: -631.985488
where:
bonds (distance) C4'-P energy: -109.800
bonds (distance) P-C4' energy: -120.779
flat angles C4'-P-C4' energy: -131.308
flat angles P-C4'-P energy: -95.916
tors. eta vs tors. theta energy: -174.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1786.277629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.277629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.277629 (E_RNA)
where:
Base-Base interactions energy: -1194.381
where: short stacking energy: -511.999
Base-Backbone interact. energy: 1.167
local terms energy: -593.063449
where:
bonds (distance) C4'-P energy: -115.183
bonds (distance) P-C4' energy: -120.611
flat angles C4'-P-C4' energy: -131.289
flat angles P-C4'-P energy: -79.580
tors. eta vs tors. theta energy: -146.400
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: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1749.456362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.456362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.456362 (E_RNA)
where:
Base-Base interactions energy: -1187.281
where: short stacking energy: -493.699
Base-Backbone interact. energy: -1.638
local terms energy: -560.537424
where:
bonds (distance) C4'-P energy: -101.049
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -130.221
flat angles P-C4'-P energy: -79.475
tors. eta vs tors. theta energy: -134.311
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: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1593.662849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.662849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.662849 (E_RNA)
where:
Base-Base interactions energy: -1041.982
where: short stacking energy: -442.417
Base-Backbone interact. energy: 2.147
local terms energy: -553.827721
where:
bonds (distance) C4'-P energy: -101.596
bonds (distance) P-C4' energy: -124.710
flat angles C4'-P-C4' energy: -118.714
flat angles P-C4'-P energy: -84.782
tors. eta vs tors. theta energy: -124.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1218.138496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.138496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.138496 (E_RNA)
where:
Base-Base interactions energy: -774.612
where: short stacking energy: -336.234
Base-Backbone interact. energy: 2.328
local terms energy: -445.854565
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -117.124
flat angles C4'-P-C4' energy: -101.237
flat angles P-C4'-P energy: -79.941
tors. eta vs tors. theta energy: -53.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -902.365406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.365406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.365406 (E_RNA)
where:
Base-Base interactions energy: -524.646
where: short stacking energy: -242.243
Base-Backbone interact. energy: 2.227
local terms energy: -379.945884
where:
bonds (distance) C4'-P energy: -88.066
bonds (distance) P-C4' energy: -108.992
flat angles C4'-P-C4' energy: -106.593
flat angles P-C4'-P energy: -47.029
tors. eta vs tors. theta energy: -29.266
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: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -609.254199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.254199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.254199 (E_RNA)
where:
Base-Base interactions energy: -278.532
where: short stacking energy: -182.629
Base-Backbone interact. energy: 2.605
local terms energy: -333.327923
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -81.964
flat angles C4'-P-C4' energy: -104.131
flat angles P-C4'-P energy: -55.869
tors. eta vs tors. theta energy: 3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -442.448425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.448425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.448425 (E_RNA)
where:
Base-Base interactions energy: -150.400
where: short stacking energy: -125.253
Base-Backbone interact. energy: 0.180
local terms energy: -292.227644
where:
bonds (distance) C4'-P energy: -84.472
bonds (distance) P-C4' energy: -104.564
flat angles C4'-P-C4' energy: -89.870
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: 33.536
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: 360
Temperature: 0.900000
Total energy: -2177.185337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.185337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.185337 (E_RNA)
where:
Base-Base interactions energy: -1503.029
where: short stacking energy: -616.311
Base-Backbone interact. energy: -4.987
local terms energy: -669.169741
where:
bonds (distance) C4'-P energy: -107.299
bonds (distance) P-C4' energy: -125.615
flat angles C4'-P-C4' energy: -143.030
flat angles P-C4'-P energy: -111.847
tors. eta vs tors. theta energy: -181.379
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: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2067.652917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.652917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.652917 (E_RNA)
where:
Base-Base interactions energy: -1451.589
where: short stacking energy: -565.606
Base-Backbone interact. energy: -2.162
local terms energy: -613.902232
where:
bonds (distance) C4'-P energy: -114.350
bonds (distance) P-C4' energy: -110.274
flat angles C4'-P-C4' energy: -125.398
flat angles P-C4'-P energy: -93.421
tors. eta vs tors. theta energy: -170.459
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: 360
Temperature: 1.000000
Total energy: -1984.567242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.567242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.567242 (E_RNA)
where:
Base-Base interactions energy: -1336.152
where: short stacking energy: -575.373
Base-Backbone interact. energy: -3.123
local terms energy: -645.292113
where:
bonds (distance) C4'-P energy: -110.041
bonds (distance) P-C4' energy: -127.604
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -186.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1770.258044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.258044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.258044 (E_RNA)
where:
Base-Base interactions energy: -1202.066
where: short stacking energy: -507.561
Base-Backbone interact. energy: -1.279
local terms energy: -566.912451
where:
bonds (distance) C4'-P energy: -99.476
bonds (distance) P-C4' energy: -111.772
flat angles C4'-P-C4' energy: -133.874
flat angles P-C4'-P energy: -74.090
tors. eta vs tors. theta energy: -147.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1746.415251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.415251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.415251 (E_RNA)
where:
Base-Base interactions energy: -1170.457
where: short stacking energy: -491.377
Base-Backbone interact. energy: -1.308
local terms energy: -574.650264
where:
bonds (distance) C4'-P energy: -103.130
bonds (distance) P-C4' energy: -118.660
flat angles C4'-P-C4' energy: -135.808
flat angles P-C4'-P energy: -73.504
tors. eta vs tors. theta energy: -143.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1648.493617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.493617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.493617 (E_RNA)
where:
Base-Base interactions energy: -1122.926
where: short stacking energy: -490.262
Base-Backbone interact. energy: -0.967
local terms energy: -524.601392
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -110.121
flat angles P-C4'-P energy: -68.201
tors. eta vs tors. theta energy: -153.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1196.828169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.828169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.828169 (E_RNA)
where:
Base-Base interactions energy: -730.551
where: short stacking energy: -307.249
Base-Backbone interact. energy: -1.104
local terms energy: -465.172597
where:
bonds (distance) C4'-P energy: -101.092
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -68.279
tors. eta vs tors. theta energy: -64.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -987.267749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.267749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.267749 (E_RNA)
where:
Base-Base interactions energy: -592.172
where: short stacking energy: -253.189
Base-Backbone interact. energy: -2.548
local terms energy: -392.548475
where:
bonds (distance) C4'-P energy: -104.390
bonds (distance) P-C4' energy: -96.300
flat angles C4'-P-C4' energy: -96.835
flat angles P-C4'-P energy: -53.856
tors. eta vs tors. theta energy: -41.167
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: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -612.267997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.267997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.267997 (E_RNA)
where:
Base-Base interactions energy: -287.590
where: short stacking energy: -174.391
Base-Backbone interact. energy: -1.037
local terms energy: -323.640248
where:
bonds (distance) C4'-P energy: -93.364
bonds (distance) P-C4' energy: -87.369
flat angles C4'-P-C4' energy: -96.281
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: 11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -455.030931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.030931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.030931 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -124.472
Base-Backbone interact. energy: -3.281
local terms energy: -300.516658
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -106.175
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: 15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2167.372125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.372125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.372125 (E_RNA)
where:
Base-Base interactions energy: -1516.298
where: short stacking energy: -612.599
Base-Backbone interact. energy: -1.509
local terms energy: -649.565323
where:
bonds (distance) C4'-P energy: -128.309
bonds (distance) P-C4' energy: -129.837
flat angles C4'-P-C4' energy: -130.007
flat angles P-C4'-P energy: -87.479
tors. eta vs tors. theta energy: -173.934
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: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2060.101051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.101051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.101051 (E_RNA)
where:
Base-Base interactions energy: -1422.478
where: short stacking energy: -580.602
Base-Backbone interact. energy: -2.073
local terms energy: -635.549845
where:
bonds (distance) C4'-P energy: -109.302
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -122.135
flat angles P-C4'-P energy: -99.775
tors. eta vs tors. theta energy: -179.761
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: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2013.525013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.525013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.525013 (E_RNA)
where:
Base-Base interactions energy: -1375.388
where: short stacking energy: -564.057
Base-Backbone interact. energy: -3.420
local terms energy: -634.717292
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -122.774
flat angles C4'-P-C4' energy: -127.847
flat angles P-C4'-P energy: -89.639
tors. eta vs tors. theta energy: -173.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1868.529384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.529384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.529384 (E_RNA)
where:
Base-Base interactions energy: -1238.584
where: short stacking energy: -521.053
Base-Backbone interact. energy: -3.169
local terms energy: -626.776704
where:
bonds (distance) C4'-P energy: -125.355
bonds (distance) P-C4' energy: -124.927
flat angles C4'-P-C4' energy: -140.160
flat angles P-C4'-P energy: -79.921
tors. eta vs tors. theta energy: -156.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1678.812975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.812975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.812975 (E_RNA)
where:
Base-Base interactions energy: -1128.874
where: short stacking energy: -474.364
Base-Backbone interact. energy: 0.457
local terms energy: -550.396259
where:
bonds (distance) C4'-P energy: -86.019
bonds (distance) P-C4' energy: -119.200
flat angles C4'-P-C4' energy: -117.108
flat angles P-C4'-P energy: -88.099
tors. eta vs tors. theta energy: -139.970
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: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1597.150550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.150550 (E_RNA)
where:
Base-Base interactions energy: -1064.644
where: short stacking energy: -443.748
Base-Backbone interact. energy: -4.165
local terms energy: -528.341670
where:
bonds (distance) C4'-P energy: -111.958
bonds (distance) P-C4' energy: -98.962
flat angles C4'-P-C4' energy: -123.247
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -120.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1127.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.847963 (E_RNA)
where:
Base-Base interactions energy: -705.761
where: short stacking energy: -316.373
Base-Backbone interact. energy: -0.639
local terms energy: -421.447978
where:
bonds (distance) C4'-P energy: -95.048
bonds (distance) P-C4' energy: -116.957
flat angles C4'-P-C4' energy: -99.364
flat angles P-C4'-P energy: -61.924
tors. eta vs tors. theta energy: -48.155
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -989.673542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.673542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.673542 (E_RNA)
where:
Base-Base interactions energy: -607.076
where: short stacking energy: -277.260
Base-Backbone interact. energy: -2.138
local terms energy: -380.458892
where:
bonds (distance) C4'-P energy: -83.380
bonds (distance) P-C4' energy: -118.711
flat angles C4'-P-C4' energy: -97.419
flat angles P-C4'-P energy: -57.037
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -608.782775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.782775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.782775 (E_RNA)
where:
Base-Base interactions energy: -239.279
where: short stacking energy: -164.948
Base-Backbone interact. energy: -1.533
local terms energy: -367.971038
where:
bonds (distance) C4'-P energy: -108.239
bonds (distance) P-C4' energy: -101.185
flat angles C4'-P-C4' energy: -101.814
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -457.691026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.691026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.691026 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -138.053
Base-Backbone interact. energy: -0.442
local terms energy: -309.602950
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -85.448
flat angles C4'-P-C4' energy: -76.119
flat angles P-C4'-P energy: -64.574
tors. eta vs tors. theta energy: 13.335
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: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2176.609304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.609304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.609304 (E_RNA)
where:
Base-Base interactions energy: -1513.287
where: short stacking energy: -597.710
Base-Backbone interact. energy: -1.926
local terms energy: -661.395443
where:
bonds (distance) C4'-P energy: -125.923
bonds (distance) P-C4' energy: -117.277
flat angles C4'-P-C4' energy: -140.681
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -179.013
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: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2057.915419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.915419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.915419 (E_RNA)
where:
Base-Base interactions energy: -1424.854
where: short stacking energy: -561.861
Base-Backbone interact. energy: -1.395
local terms energy: -631.665840
where:
bonds (distance) C4'-P energy: -110.116
bonds (distance) P-C4' energy: -117.072
flat angles C4'-P-C4' energy: -136.773
flat angles P-C4'-P energy: -90.994
tors. eta vs tors. theta energy: -176.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1973.795051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.795051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.795051 (E_RNA)
where:
Base-Base interactions energy: -1301.230
where: short stacking energy: -544.715
Base-Backbone interact. energy: 3.529
local terms energy: -676.094012
where:
bonds (distance) C4'-P energy: -128.067
bonds (distance) P-C4' energy: -133.493
flat angles C4'-P-C4' energy: -139.148
flat angles P-C4'-P energy: -97.268
tors. eta vs tors. theta energy: -178.118
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: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1854.127004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.127004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.127004 (E_RNA)
where:
Base-Base interactions energy: -1254.010
where: short stacking energy: -513.972
Base-Backbone interact. energy: 1.201
local terms energy: -601.317448
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -130.263
flat angles C4'-P-C4' energy: -131.735
flat angles P-C4'-P energy: -91.245
tors. eta vs tors. theta energy: -136.038
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: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1657.994678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.994678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.994678 (E_RNA)
where:
Base-Base interactions energy: -1110.680
where: short stacking energy: -467.940
Base-Backbone interact. energy: -2.417
local terms energy: -544.896999
where:
bonds (distance) C4'-P energy: -105.849
bonds (distance) P-C4' energy: -94.929
flat angles C4'-P-C4' energy: -125.148
flat angles P-C4'-P energy: -78.644
tors. eta vs tors. theta energy: -140.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1598.037606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.037606 (E_RNA)
where:
Base-Base interactions energy: -1040.951
where: short stacking energy: -457.787
Base-Backbone interact. energy: -3.682
local terms energy: -553.403867
where:
bonds (distance) C4'-P energy: -99.370
bonds (distance) P-C4' energy: -123.112
flat angles C4'-P-C4' energy: -122.659
flat angles P-C4'-P energy: -76.091
tors. eta vs tors. theta energy: -132.172
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: 362
Temperature: 1.200000
Total energy: -1179.604284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.604284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.604284 (E_RNA)
where:
Base-Base interactions energy: -738.494
where: short stacking energy: -322.484
Base-Backbone interact. energy: -0.357
local terms energy: -440.753112
where:
bonds (distance) C4'-P energy: -101.567
bonds (distance) P-C4' energy: -114.977
flat angles C4'-P-C4' energy: -103.235
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -61.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1034.528870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.528870 (E_RNA)
where:
Base-Base interactions energy: -619.693
where: short stacking energy: -310.363
Base-Backbone interact. energy: -2.580
local terms energy: -412.256596
where:
bonds (distance) C4'-P energy: -106.843
bonds (distance) P-C4' energy: -105.114
flat angles C4'-P-C4' energy: -98.905
flat angles P-C4'-P energy: -61.070
tors. eta vs tors. theta energy: -40.325
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: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -603.214480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.214480 (E_RNA)
where:
Base-Base interactions energy: -286.099
where: short stacking energy: -177.747
Base-Backbone interact. energy: -1.032
local terms energy: -316.083607
where:
bonds (distance) C4'-P energy: -105.624
bonds (distance) P-C4' energy: -96.269
flat angles C4'-P-C4' energy: -83.014
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: 1.170
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: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -462.269162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.269162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.269162 (E_RNA)
where:
Base-Base interactions energy: -163.364
where: short stacking energy: -134.056
Base-Backbone interact. energy: -1.039
local terms energy: -297.866559
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -100.709
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: 21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2197.586546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.586546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.586546 (E_RNA)
where:
Base-Base interactions energy: -1534.147
where: short stacking energy: -632.582
Base-Backbone interact. energy: 0.025
local terms energy: -663.464962
where:
bonds (distance) C4'-P energy: -121.370
bonds (distance) P-C4' energy: -118.275
flat angles C4'-P-C4' energy: -140.796
flat angles P-C4'-P energy: -97.871
tors. eta vs tors. theta energy: -185.154
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: 363
Temperature: 0.950000
Total energy: -2021.653257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.653257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.653257 (E_RNA)
where:
Base-Base interactions energy: -1410.248
where: short stacking energy: -572.520
Base-Backbone interact. energy: -3.023
local terms energy: -608.382148
where:
bonds (distance) C4'-P energy: -107.739
bonds (distance) P-C4' energy: -117.145
flat angles C4'-P-C4' energy: -131.051
flat angles P-C4'-P energy: -81.863
tors. eta vs tors. theta energy: -170.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1965.489705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.489705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.489705 (E_RNA)
where:
Base-Base interactions energy: -1325.017
where: short stacking energy: -575.983
Base-Backbone interact. energy: 1.527
local terms energy: -641.999932
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -114.866
flat angles C4'-P-C4' energy: -142.378
flat angles P-C4'-P energy: -93.052
tors. eta vs tors. theta energy: -186.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1831.060119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.060119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.060119 (E_RNA)
where:
Base-Base interactions energy: -1241.943
where: short stacking energy: -504.123
Base-Backbone interact. energy: 2.325
local terms energy: -591.443006
where:
bonds (distance) C4'-P energy: -116.387
bonds (distance) P-C4' energy: -121.969
flat angles C4'-P-C4' energy: -127.671
flat angles P-C4'-P energy: -90.816
tors. eta vs tors. theta energy: -134.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1696.438522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.438522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.438522 (E_RNA)
where:
Base-Base interactions energy: -1124.499
where: short stacking energy: -491.288
Base-Backbone interact. energy: -0.682
local terms energy: -571.257016
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -119.857
flat angles C4'-P-C4' energy: -124.608
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -140.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1624.390905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.390905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.390905 (E_RNA)
where:
Base-Base interactions energy: -1092.230
where: short stacking energy: -470.178
Base-Backbone interact. energy: 7.131
local terms energy: -539.292198
where:
bonds (distance) C4'-P energy: -109.366
bonds (distance) P-C4' energy: -111.666
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -77.326
tors. eta vs tors. theta energy: -138.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1192.301796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.301796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.301796 (E_RNA)
where:
Base-Base interactions energy: -735.134
where: short stacking energy: -325.907
Base-Backbone interact. energy: 6.664
local terms energy: -463.831247
where:
bonds (distance) C4'-P energy: -113.627
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -102.089
flat angles P-C4'-P energy: -59.732
tors. eta vs tors. theta energy: -71.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -996.371750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.371750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.371750 (E_RNA)
where:
Base-Base interactions energy: -637.347
where: short stacking energy: -270.609
Base-Backbone interact. energy: 0.792
local terms energy: -359.816632
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -99.078
flat angles C4'-P-C4' energy: -82.417
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -663.453892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.453892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.453892 (E_RNA)
where:
Base-Base interactions energy: -323.533
where: short stacking energy: -212.679
Base-Backbone interact. energy: 4.734
local terms energy: -344.654137
where:
bonds (distance) C4'-P energy: -91.856
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -102.378
flat angles P-C4'-P energy: -53.193
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: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -462.155849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.155849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.155849 (E_RNA)
where:
Base-Base interactions energy: -151.919
where: short stacking energy: -112.613
Base-Backbone interact. energy: 0.667
local terms energy: -310.904226
where:
bonds (distance) C4'-P energy: -106.119
bonds (distance) P-C4' energy: -104.113
flat angles C4'-P-C4' energy: -81.075
flat angles P-C4'-P energy: -54.400
tors. eta vs tors. theta energy: 34.802
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2193.189386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.189386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.189386 (E_RNA)
where:
Base-Base interactions energy: -1561.110
where: short stacking energy: -634.371
Base-Backbone interact. energy: -0.216
local terms energy: -631.863384
where:
bonds (distance) C4'-P energy: -105.367
bonds (distance) P-C4' energy: -120.462
flat angles C4'-P-C4' energy: -136.053
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -185.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2074.731694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.731694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.731694 (E_RNA)
where:
Base-Base interactions energy: -1400.708
where: short stacking energy: -586.613
Base-Backbone interact. energy: -1.305
local terms energy: -672.718583
where:
bonds (distance) C4'-P energy: -133.937
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -135.310
flat angles P-C4'-P energy: -106.628
tors. eta vs tors. theta energy: -174.513
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: 364
Temperature: 1.000000
Total energy: -1976.714168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.714168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.714168 (E_RNA)
where:
Base-Base interactions energy: -1351.190
where: short stacking energy: -582.516
Base-Backbone interact. energy: -1.960
local terms energy: -623.563951
where:
bonds (distance) C4'-P energy: -103.318
bonds (distance) P-C4' energy: -118.137
flat angles C4'-P-C4' energy: -140.504
flat angles P-C4'-P energy: -90.876
tors. eta vs tors. theta energy: -170.729
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1861.145547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.145547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.145547 (E_RNA)
where:
Base-Base interactions energy: -1283.532
where: short stacking energy: -547.589
Base-Backbone interact. energy: -2.666
local terms energy: -574.948409
where:
bonds (distance) C4'-P energy: -105.700
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -129.323
flat angles P-C4'-P energy: -87.276
tors. eta vs tors. theta energy: -146.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1682.453941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.453941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.453941 (E_RNA)
where:
Base-Base interactions energy: -1136.881
where: short stacking energy: -487.577
Base-Backbone interact. energy: 0.992
local terms energy: -546.564089
where:
bonds (distance) C4'-P energy: -111.432
bonds (distance) P-C4' energy: -103.373
flat angles C4'-P-C4' energy: -117.211
flat angles P-C4'-P energy: -66.734
tors. eta vs tors. theta energy: -147.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1620.953121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.953121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.953121 (E_RNA)
where:
Base-Base interactions energy: -1089.901
where: short stacking energy: -445.387
Base-Backbone interact. energy: -0.826
local terms energy: -530.225975
where:
bonds (distance) C4'-P energy: -95.332
bonds (distance) P-C4' energy: -119.917
flat angles C4'-P-C4' energy: -117.522
flat angles P-C4'-P energy: -68.727
tors. eta vs tors. theta energy: -128.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1194.822633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.822633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.822633 (E_RNA)
where:
Base-Base interactions energy: -755.763
where: short stacking energy: -316.487
Base-Backbone interact. energy: -1.009
local terms energy: -438.051029
where:
bonds (distance) C4'-P energy: -114.102
bonds (distance) P-C4' energy: -99.247
flat angles C4'-P-C4' energy: -111.065
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -61.223
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -963.197345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.197345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.197345 (E_RNA)
where:
Base-Base interactions energy: -566.264
where: short stacking energy: -253.759
Base-Backbone interact. energy: 1.879
local terms energy: -398.812553
where:
bonds (distance) C4'-P energy: -91.352
bonds (distance) P-C4' energy: -99.531
flat angles C4'-P-C4' energy: -99.087
flat angles P-C4'-P energy: -77.967
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -627.863507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.863507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.863507 (E_RNA)
where:
Base-Base interactions energy: -268.574
where: short stacking energy: -157.870
Base-Backbone interact. energy: 6.953
local terms energy: -366.242306
where:
bonds (distance) C4'-P energy: -101.525
bonds (distance) P-C4' energy: -102.465
flat angles C4'-P-C4' energy: -104.064
flat angles P-C4'-P energy: -62.500
tors. eta vs tors. theta energy: 4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -484.448814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.448814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.448814 (E_RNA)
where:
Base-Base interactions energy: -163.642
where: short stacking energy: -113.402
Base-Backbone interact. energy: -0.566
local terms energy: -320.240435
where:
bonds (distance) C4'-P energy: -103.248
bonds (distance) P-C4' energy: -94.415
flat angles C4'-P-C4' energy: -80.909
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: 23.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2171.416443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.416443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.416443 (E_RNA)
where:
Base-Base interactions energy: -1531.000
where: short stacking energy: -610.540
Base-Backbone interact. energy: 0.975
local terms energy: -641.391375
where:
bonds (distance) C4'-P energy: -100.286
bonds (distance) P-C4' energy: -112.798
flat angles C4'-P-C4' energy: -143.593
flat angles P-C4'-P energy: -98.385
tors. eta vs tors. theta energy: -186.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2096.082292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.082292 (E_RNA)
where:
Base-Base interactions energy: -1436.238
where: short stacking energy: -609.728
Base-Backbone interact. energy: -4.155
local terms energy: -655.689576
where:
bonds (distance) C4'-P energy: -109.235
bonds (distance) P-C4' energy: -128.750
flat angles C4'-P-C4' energy: -138.045
flat angles P-C4'-P energy: -94.223
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1960.829826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.829826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.829826 (E_RNA)
where:
Base-Base interactions energy: -1338.552
where: short stacking energy: -578.839
Base-Backbone interact. energy: -3.868
local terms energy: -618.409482
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -124.209
flat angles C4'-P-C4' energy: -125.321
flat angles P-C4'-P energy: -92.728
tors. eta vs tors. theta energy: -172.521
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: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1824.660896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.660896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.660896 (E_RNA)
where:
Base-Base interactions energy: -1282.344
where: short stacking energy: -524.437
Base-Backbone interact. energy: 1.425
local terms energy: -543.742423
where:
bonds (distance) C4'-P energy: -86.595
bonds (distance) P-C4' energy: -111.964
flat angles C4'-P-C4' energy: -129.212
flat angles P-C4'-P energy: -74.789
tors. eta vs tors. theta energy: -141.183
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: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1697.828282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.828282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.828282 (E_RNA)
where:
Base-Base interactions energy: -1117.736
where: short stacking energy: -494.960
Base-Backbone interact. energy: 1.812
local terms energy: -581.904559
where:
bonds (distance) C4'-P energy: -117.763
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -151.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1541.660764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.660764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.660764 (E_RNA)
where:
Base-Base interactions energy: -1028.170
where: short stacking energy: -448.898
Base-Backbone interact. energy: -1.852
local terms energy: -511.638077
where:
bonds (distance) C4'-P energy: -87.910
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -110.227
flat angles P-C4'-P energy: -69.717
tors. eta vs tors. theta energy: -142.257
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: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1201.454809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.454809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.454809 (E_RNA)
where:
Base-Base interactions energy: -734.966
where: short stacking energy: -307.305
Base-Backbone interact. energy: 1.165
local terms energy: -467.653555
where:
bonds (distance) C4'-P energy: -96.638
bonds (distance) P-C4' energy: -119.800
flat angles C4'-P-C4' energy: -108.089
flat angles P-C4'-P energy: -77.084
tors. eta vs tors. theta energy: -66.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -972.868030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.868030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.868030 (E_RNA)
where:
Base-Base interactions energy: -584.307
where: short stacking energy: -286.826
Base-Backbone interact. energy: 3.683
local terms energy: -392.244009
where:
bonds (distance) C4'-P energy: -81.756
bonds (distance) P-C4' energy: -89.702
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -46.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -602.630520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.630520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.630520 (E_RNA)
where:
Base-Base interactions energy: -286.325
where: short stacking energy: -192.437
Base-Backbone interact. energy: 1.666
local terms energy: -317.970996
where:
bonds (distance) C4'-P energy: -100.869
bonds (distance) P-C4' energy: -113.518
flat angles C4'-P-C4' energy: -80.827
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: 9.978
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: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -470.917166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.917166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.917166 (E_RNA)
where:
Base-Base interactions energy: -181.227
where: short stacking energy: -135.379
Base-Backbone interact. energy: 0.061
local terms energy: -289.750649
where:
bonds (distance) C4'-P energy: -89.715
bonds (distance) P-C4' energy: -94.948
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: 16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2159.243307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.243307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.243307 (E_RNA)
where:
Base-Base interactions energy: -1496.834
where: short stacking energy: -603.074
Base-Backbone interact. energy: -6.367
local terms energy: -656.042409
where:
bonds (distance) C4'-P energy: -123.874
bonds (distance) P-C4' energy: -118.693
flat angles C4'-P-C4' energy: -137.792
flat angles P-C4'-P energy: -96.349
tors. eta vs tors. theta energy: -179.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2044.169326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.169326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.169326 (E_RNA)
where:
Base-Base interactions energy: -1377.883
where: short stacking energy: -557.931
Base-Backbone interact. energy: -3.280
local terms energy: -663.005875
where:
bonds (distance) C4'-P energy: -123.140
bonds (distance) P-C4' energy: -124.033
flat angles C4'-P-C4' energy: -144.736
flat angles P-C4'-P energy: -86.899
tors. eta vs tors. theta energy: -184.197
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: 366
Temperature: 1.000000
Total energy: -1985.968755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.968755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.968755 (E_RNA)
where:
Base-Base interactions energy: -1321.461
where: short stacking energy: -562.780
Base-Backbone interact. energy: -5.810
local terms energy: -658.697771
where:
bonds (distance) C4'-P energy: -127.086
bonds (distance) P-C4' energy: -126.655
flat angles C4'-P-C4' energy: -125.616
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -182.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1835.221852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.221852 (E_RNA)
where:
Base-Base interactions energy: -1252.622
where: short stacking energy: -525.195
Base-Backbone interact. energy: -0.649
local terms energy: -581.951065
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -119.176
flat angles C4'-P-C4' energy: -125.848
flat angles P-C4'-P energy: -86.692
tors. eta vs tors. theta energy: -147.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1664.543087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.543087 (E_RNA)
where:
Base-Base interactions energy: -1093.894
where: short stacking energy: -480.382
Base-Backbone interact. energy: -1.943
local terms energy: -568.706141
where:
bonds (distance) C4'-P energy: -111.956
bonds (distance) P-C4' energy: -112.345
flat angles C4'-P-C4' energy: -122.853
flat angles P-C4'-P energy: -78.569
tors. eta vs tors. theta energy: -142.983
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1535.599310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.599310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.599310 (E_RNA)
where:
Base-Base interactions energy: -1045.753
where: short stacking energy: -432.882
Base-Backbone interact. energy: 0.041
local terms energy: -489.886803
where:
bonds (distance) C4'-P energy: -108.662
bonds (distance) P-C4' energy: -103.964
flat angles C4'-P-C4' energy: -112.524
flat angles P-C4'-P energy: -55.645
tors. eta vs tors. theta energy: -109.092
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1167.077406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.077406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.077406 (E_RNA)
where:
Base-Base interactions energy: -716.874
where: short stacking energy: -316.007
Base-Backbone interact. energy: -3.077
local terms energy: -447.126603
where:
bonds (distance) C4'-P energy: -89.134
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -64.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1059.689705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.689705 (E_RNA)
where:
Base-Base interactions energy: -651.633
where: short stacking energy: -306.278
Base-Backbone interact. energy: 0.024
local terms energy: -408.080680
where:
bonds (distance) C4'-P energy: -92.549
bonds (distance) P-C4' energy: -112.235
flat angles C4'-P-C4' energy: -89.815
flat angles P-C4'-P energy: -61.384
tors. eta vs tors. theta energy: -52.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -675.277988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.277988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.277988 (E_RNA)
where:
Base-Base interactions energy: -336.066
where: short stacking energy: -171.338
Base-Backbone interact. energy: 1.090
local terms energy: -340.302069
where:
bonds (distance) C4'-P energy: -94.863
bonds (distance) P-C4' energy: -108.052
flat angles C4'-P-C4' energy: -78.176
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -18.348
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: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -495.006583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.006583 (E_RNA)
where:
Base-Base interactions energy: -205.044
where: short stacking energy: -156.474
Base-Backbone interact. energy: 3.406
local terms energy: -293.368410
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -79.303
flat angles P-C4'-P energy: -49.260
tors. eta vs tors. theta energy: 14.440
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: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2166.012952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.012952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.012952 (E_RNA)
where:
Base-Base interactions energy: -1501.498
where: short stacking energy: -619.740
Base-Backbone interact. energy: -0.478
local terms energy: -664.037535
where:
bonds (distance) C4'-P energy: -122.211
bonds (distance) P-C4' energy: -122.043
flat angles C4'-P-C4' energy: -132.683
flat angles P-C4'-P energy: -94.702
tors. eta vs tors. theta energy: -192.398
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: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2071.668594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.668594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.668594 (E_RNA)
where:
Base-Base interactions energy: -1422.074
where: short stacking energy: -601.468
Base-Backbone interact. energy: -2.028
local terms energy: -647.566216
where:
bonds (distance) C4'-P energy: -124.589
bonds (distance) P-C4' energy: -109.824
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -88.380
tors. eta vs tors. theta energy: -192.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1963.153879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.153879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.153879 (E_RNA)
where:
Base-Base interactions energy: -1330.482
where: short stacking energy: -565.249
Base-Backbone interact. energy: 0.269
local terms energy: -632.941130
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -120.899
flat angles C4'-P-C4' energy: -125.754
flat angles P-C4'-P energy: -90.958
tors. eta vs tors. theta energy: -183.451
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: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1851.979527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.979527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.979527 (E_RNA)
where:
Base-Base interactions energy: -1253.081
where: short stacking energy: -510.205
Base-Backbone interact. energy: -0.391
local terms energy: -598.507245
where:
bonds (distance) C4'-P energy: -121.403
bonds (distance) P-C4' energy: -113.343
flat angles C4'-P-C4' energy: -125.281
flat angles P-C4'-P energy: -90.020
tors. eta vs tors. theta energy: -148.459
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: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1677.190797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.190797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.190797 (E_RNA)
where:
Base-Base interactions energy: -1123.808
where: short stacking energy: -485.721
Base-Backbone interact. energy: 1.067
local terms energy: -554.449146
where:
bonds (distance) C4'-P energy: -112.095
bonds (distance) P-C4' energy: -105.235
flat angles C4'-P-C4' energy: -121.085
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -134.353
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1512.966865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.966865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.966865 (E_RNA)
where:
Base-Base interactions energy: -977.660
where: short stacking energy: -435.598
Base-Backbone interact. energy: 3.101
local terms energy: -538.407831
where:
bonds (distance) C4'-P energy: -101.480
bonds (distance) P-C4' energy: -129.585
flat angles C4'-P-C4' energy: -118.148
flat angles P-C4'-P energy: -65.434
tors. eta vs tors. theta energy: -123.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1185.408064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.408064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.408064 (E_RNA)
where:
Base-Base interactions energy: -758.028
where: short stacking energy: -335.765
Base-Backbone interact. energy: -2.930
local terms energy: -424.450816
where:
bonds (distance) C4'-P energy: -108.102
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -85.950
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -62.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1053.322611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.322611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.322611 (E_RNA)
where:
Base-Base interactions energy: -622.754
where: short stacking energy: -280.327
Base-Backbone interact. energy: -1.058
local terms energy: -429.511108
where:
bonds (distance) C4'-P energy: -113.367
bonds (distance) P-C4' energy: -105.145
flat angles C4'-P-C4' energy: -97.921
flat angles P-C4'-P energy: -62.888
tors. eta vs tors. theta energy: -50.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -726.455761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.455761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.455761 (E_RNA)
where:
Base-Base interactions energy: -345.570
where: short stacking energy: -206.389
Base-Backbone interact. energy: -3.101
local terms energy: -377.784261
where:
bonds (distance) C4'-P energy: -105.901
bonds (distance) P-C4' energy: -94.592
flat angles C4'-P-C4' energy: -103.318
flat angles P-C4'-P energy: -58.738
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -466.363573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.363573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.363573 (E_RNA)
where:
Base-Base interactions energy: -175.442
where: short stacking energy: -128.964
Base-Backbone interact. energy: 3.240
local terms energy: -294.161590
where:
bonds (distance) C4'-P energy: -88.998
bonds (distance) P-C4' energy: -107.933
flat angles C4'-P-C4' energy: -76.542
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: 27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2183.343059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.343059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.343059 (E_RNA)
where:
Base-Base interactions energy: -1517.746
where: short stacking energy: -635.215
Base-Backbone interact. energy: -3.022
local terms energy: -662.575330
where:
bonds (distance) C4'-P energy: -117.428
bonds (distance) P-C4' energy: -118.796
flat angles C4'-P-C4' energy: -145.233
flat angles P-C4'-P energy: -84.758
tors. eta vs tors. theta energy: -196.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2045.916118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.916118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.916118 (E_RNA)
where:
Base-Base interactions energy: -1407.067
where: short stacking energy: -571.543
Base-Backbone interact. energy: -0.494
local terms energy: -638.354978
where:
bonds (distance) C4'-P energy: -133.342
bonds (distance) P-C4' energy: -117.572
flat angles C4'-P-C4' energy: -135.295
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -170.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1959.377201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.377201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.377201 (E_RNA)
where:
Base-Base interactions energy: -1330.916
where: short stacking energy: -567.913
Base-Backbone interact. energy: 2.525
local terms energy: -630.987129
where:
bonds (distance) C4'-P energy: -122.736
bonds (distance) P-C4' energy: -100.782
flat angles C4'-P-C4' energy: -137.554
flat angles P-C4'-P energy: -92.905
tors. eta vs tors. theta energy: -177.010
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: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1830.179291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.179291 (E_RNA)
where:
Base-Base interactions energy: -1266.475
where: short stacking energy: -544.249
Base-Backbone interact. energy: 0.586
local terms energy: -564.290033
where:
bonds (distance) C4'-P energy: -103.939
bonds (distance) P-C4' energy: -104.109
flat angles C4'-P-C4' energy: -122.800
flat angles P-C4'-P energy: -77.189
tors. eta vs tors. theta energy: -156.252
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: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1651.734427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.734427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.734427 (E_RNA)
where:
Base-Base interactions energy: -1092.183
where: short stacking energy: -450.964
Base-Backbone interact. energy: -5.023
local terms energy: -554.527918
where:
bonds (distance) C4'-P energy: -115.972
bonds (distance) P-C4' energy: -111.722
flat angles C4'-P-C4' energy: -118.601
flat angles P-C4'-P energy: -86.312
tors. eta vs tors. theta energy: -121.921
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: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1619.071240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.071240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.071240 (E_RNA)
where:
Base-Base interactions energy: -1076.888
where: short stacking energy: -433.576
Base-Backbone interact. energy: -2.153
local terms energy: -540.030494
where:
bonds (distance) C4'-P energy: -106.129
bonds (distance) P-C4' energy: -103.970
flat angles C4'-P-C4' energy: -123.527
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -123.791
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: 368
Temperature: 1.200000
Total energy: -1150.097350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.097350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.097350 (E_RNA)
where:
Base-Base interactions energy: -726.897
where: short stacking energy: -323.516
Base-Backbone interact. energy: -0.290
local terms energy: -422.911074
where:
bonds (distance) C4'-P energy: -92.345
bonds (distance) P-C4' energy: -114.957
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -64.027
tors. eta vs tors. theta energy: -43.664
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -985.466290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.466290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.466290 (E_RNA)
where:
Base-Base interactions energy: -584.731
where: short stacking energy: -277.485
Base-Backbone interact. energy: -1.229
local terms energy: -399.505816
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -107.963
flat angles C4'-P-C4' energy: -83.947
flat angles P-C4'-P energy: -62.984
tors. eta vs tors. theta energy: -39.466
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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -729.789543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.789543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.789543 (E_RNA)
where:
Base-Base interactions energy: -361.863
where: short stacking energy: -207.984
Base-Backbone interact. energy: -1.892
local terms energy: -366.034857
where:
bonds (distance) C4'-P energy: -88.162
bonds (distance) P-C4' energy: -109.371
flat angles C4'-P-C4' energy: -85.541
flat angles P-C4'-P energy: -65.720
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -475.103237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.103237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.103237 (E_RNA)
where:
Base-Base interactions energy: -154.593
where: short stacking energy: -138.518
Base-Backbone interact. energy: -3.825
local terms energy: -316.685701
where:
bonds (distance) C4'-P energy: -97.318
bonds (distance) P-C4' energy: -102.528
flat angles C4'-P-C4' energy: -98.546
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: 17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2187.111895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.111895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.111895 (E_RNA)
where:
Base-Base interactions energy: -1494.754
where: short stacking energy: -636.240
Base-Backbone interact. energy: -1.956
local terms energy: -690.401638
where:
bonds (distance) C4'-P energy: -115.570
bonds (distance) P-C4' energy: -121.093
flat angles C4'-P-C4' energy: -147.767
flat angles P-C4'-P energy: -105.154
tors. eta vs tors. theta energy: -200.818
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: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2057.858920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.858920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.858920 (E_RNA)
where:
Base-Base interactions energy: -1422.714
where: short stacking energy: -588.840
Base-Backbone interact. energy: -0.694
local terms energy: -634.451032
where:
bonds (distance) C4'-P energy: -104.384
bonds (distance) P-C4' energy: -125.767
flat angles C4'-P-C4' energy: -135.895
flat angles P-C4'-P energy: -98.276
tors. eta vs tors. theta energy: -170.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1956.910193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.910193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.910193 (E_RNA)
where:
Base-Base interactions energy: -1295.269
where: short stacking energy: -557.402
Base-Backbone interact. energy: -2.577
local terms energy: -659.064676
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -125.394
flat angles C4'-P-C4' energy: -139.083
flat angles P-C4'-P energy: -96.967
tors. eta vs tors. theta energy: -178.659
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: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1825.394744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.394744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.394744 (E_RNA)
where:
Base-Base interactions energy: -1238.845
where: short stacking energy: -558.529
Base-Backbone interact. energy: -2.023
local terms energy: -584.526198
where:
bonds (distance) C4'-P energy: -107.062
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -116.105
flat angles P-C4'-P energy: -99.433
tors. eta vs tors. theta energy: -152.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1625.257121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.257121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.257121 (E_RNA)
where:
Base-Base interactions energy: -1086.915
where: short stacking energy: -447.679
Base-Backbone interact. energy: -1.685
local terms energy: -536.657356
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -99.134
flat angles C4'-P-C4' energy: -123.787
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -124.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1621.772345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.772345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.772345 (E_RNA)
where:
Base-Base interactions energy: -1058.848
where: short stacking energy: -444.148
Base-Backbone interact. energy: -2.407
local terms energy: -560.517923
where:
bonds (distance) C4'-P energy: -97.354
bonds (distance) P-C4' energy: -114.293
flat angles C4'-P-C4' energy: -130.381
flat angles P-C4'-P energy: -82.961
tors. eta vs tors. theta energy: -135.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1242.498604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.498604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.498604 (E_RNA)
where:
Base-Base interactions energy: -790.399
where: short stacking energy: -341.793
Base-Backbone interact. energy: 3.091
local terms energy: -455.190569
where:
bonds (distance) C4'-P energy: -112.120
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -52.250
tors. eta vs tors. theta energy: -64.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -941.643544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.643544 (E_RNA)
where:
Base-Base interactions energy: -559.730
where: short stacking energy: -280.570
Base-Backbone interact. energy: 0.801
local terms energy: -382.714830
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -115.467
flat angles C4'-P-C4' energy: -85.462
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -713.726137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.726137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.726137 (E_RNA)
where:
Base-Base interactions energy: -347.012
where: short stacking energy: -193.857
Base-Backbone interact. energy: -0.375
local terms energy: -366.339730
where:
bonds (distance) C4'-P energy: -99.635
bonds (distance) P-C4' energy: -103.276
flat angles C4'-P-C4' energy: -105.672
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: 11.432
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: 369
Temperature: 1.350000
Total energy: -465.423710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.423710 (E_RNA)
where:
Base-Base interactions energy: -148.788
where: short stacking energy: -113.543
Base-Backbone interact. energy: -4.059
local terms energy: -312.576483
where:
bonds (distance) C4'-P energy: -105.715
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: 22.032
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: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2163.142626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.142626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.142626 (E_RNA)
where:
Base-Base interactions energy: -1502.387
where: short stacking energy: -607.076
Base-Backbone interact. energy: -2.140
local terms energy: -658.615560
where:
bonds (distance) C4'-P energy: -119.674
bonds (distance) P-C4' energy: -134.586
flat angles C4'-P-C4' energy: -132.496
flat angles P-C4'-P energy: -90.790
tors. eta vs tors. theta energy: -181.069
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: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2043.404182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.404182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.404182 (E_RNA)
where:
Base-Base interactions energy: -1411.058
where: short stacking energy: -586.615
Base-Backbone interact. energy: -4.411
local terms energy: -627.935195
where:
bonds (distance) C4'-P energy: -119.696
bonds (distance) P-C4' energy: -124.561
flat angles C4'-P-C4' energy: -117.343
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -174.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1949.596938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.596938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.596938 (E_RNA)
where:
Base-Base interactions energy: -1329.016
where: short stacking energy: -571.515
Base-Backbone interact. energy: -0.505
local terms energy: -620.075614
where:
bonds (distance) C4'-P energy: -113.277
bonds (distance) P-C4' energy: -125.916
flat angles C4'-P-C4' energy: -124.105
flat angles P-C4'-P energy: -71.476
tors. eta vs tors. theta energy: -185.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1860.618434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.618434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.618434 (E_RNA)
where:
Base-Base interactions energy: -1283.854
where: short stacking energy: -532.473
Base-Backbone interact. energy: -1.180
local terms energy: -575.584482
where:
bonds (distance) C4'-P energy: -115.933
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -113.426
flat angles P-C4'-P energy: -77.131
tors. eta vs tors. theta energy: -158.581
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: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1687.460220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.460220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.460220 (E_RNA)
where:
Base-Base interactions energy: -1132.394
where: short stacking energy: -491.699
Base-Backbone interact. energy: 3.087
local terms energy: -558.152514
where:
bonds (distance) C4'-P energy: -113.783
bonds (distance) P-C4' energy: -99.117
flat angles C4'-P-C4' energy: -124.353
flat angles P-C4'-P energy: -73.811
tors. eta vs tors. theta energy: -147.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1646.270976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.270976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.270976 (E_RNA)
where:
Base-Base interactions energy: -1085.261
where: short stacking energy: -464.802
Base-Backbone interact. energy: -2.797
local terms energy: -558.212627
where:
bonds (distance) C4'-P energy: -114.184
bonds (distance) P-C4' energy: -104.684
flat angles C4'-P-C4' energy: -130.878
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -141.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1257.408921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.408921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.408921 (E_RNA)
where:
Base-Base interactions energy: -806.117
where: short stacking energy: -354.396
Base-Backbone interact. energy: -2.394
local terms energy: -448.897657
where:
bonds (distance) C4'-P energy: -108.643
bonds (distance) P-C4' energy: -92.583
flat angles C4'-P-C4' energy: -110.231
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -80.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -950.613935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.613935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.613935 (E_RNA)
where:
Base-Base interactions energy: -534.629
where: short stacking energy: -267.047
Base-Backbone interact. energy: -3.217
local terms energy: -412.767879
where:
bonds (distance) C4'-P energy: -79.159
bonds (distance) P-C4' energy: -113.719
flat angles C4'-P-C4' energy: -105.061
flat angles P-C4'-P energy: -75.881
tors. eta vs tors. theta energy: -38.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -722.609110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.609110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.609110 (E_RNA)
where:
Base-Base interactions energy: -380.074
where: short stacking energy: -188.255
Base-Backbone interact. energy: 0.430
local terms energy: -342.965922
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -99.821
flat angles C4'-P-C4' energy: -81.336
flat angles P-C4'-P energy: -49.826
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -471.877910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.877910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.877910 (E_RNA)
where:
Base-Base interactions energy: -180.673
where: short stacking energy: -145.836
Base-Backbone interact. energy: -1.974
local terms energy: -289.230499
where:
bonds (distance) C4'-P energy: -85.916
bonds (distance) P-C4' energy: -97.943
flat angles C4'-P-C4' energy: -89.120
flat angles P-C4'-P energy: -39.750
tors. eta vs tors. theta energy: 23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2183.102659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.102659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.102659 (E_RNA)
where:
Base-Base interactions energy: -1522.743
where: short stacking energy: -613.530
Base-Backbone interact. energy: -3.326
local terms energy: -657.033236
where:
bonds (distance) C4'-P energy: -111.042
bonds (distance) P-C4' energy: -130.709
flat angles C4'-P-C4' energy: -139.251
flat angles P-C4'-P energy: -93.415
tors. eta vs tors. theta energy: -182.616
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: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2065.775406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.775406 (E_RNA)
where:
Base-Base interactions energy: -1412.511
where: short stacking energy: -582.216
Base-Backbone interact. energy: -2.251
local terms energy: -651.013791
where:
bonds (distance) C4'-P energy: -116.824
bonds (distance) P-C4' energy: -125.753
flat angles C4'-P-C4' energy: -138.323
flat angles P-C4'-P energy: -94.254
tors. eta vs tors. theta energy: -175.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1943.158139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.158139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.158139 (E_RNA)
where:
Base-Base interactions energy: -1316.509
where: short stacking energy: -557.025
Base-Backbone interact. energy: 1.512
local terms energy: -628.161797
where:
bonds (distance) C4'-P energy: -113.366
bonds (distance) P-C4' energy: -120.438
flat angles C4'-P-C4' energy: -131.537
flat angles P-C4'-P energy: -89.501
tors. eta vs tors. theta energy: -173.319
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: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1869.520990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.520990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.520990 (E_RNA)
where:
Base-Base interactions energy: -1291.486
where: short stacking energy: -525.364
Base-Backbone interact. energy: -3.383
local terms energy: -574.652115
where:
bonds (distance) C4'-P energy: -114.592
bonds (distance) P-C4' energy: -104.086
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -78.512
tors. eta vs tors. theta energy: -159.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1654.226416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.226416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.226416 (E_RNA)
where:
Base-Base interactions energy: -1104.035
where: short stacking energy: -503.263
Base-Backbone interact. energy: 1.257
local terms energy: -551.449113
where:
bonds (distance) C4'-P energy: -115.770
bonds (distance) P-C4' energy: -109.232
flat angles C4'-P-C4' energy: -117.370
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -131.245
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1556.141828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.141828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.141828 (E_RNA)
where:
Base-Base interactions energy: -1009.746
where: short stacking energy: -445.230
Base-Backbone interact. energy: -2.359
local terms energy: -544.036782
where:
bonds (distance) C4'-P energy: -112.845
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -111.372
flat angles P-C4'-P energy: -70.212
tors. eta vs tors. theta energy: -134.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1188.217714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.217714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.217714 (E_RNA)
where:
Base-Base interactions energy: -746.131
where: short stacking energy: -330.603
Base-Backbone interact. energy: -0.410
local terms energy: -441.676962
where:
bonds (distance) C4'-P energy: -102.426
bonds (distance) P-C4' energy: -104.043
flat angles C4'-P-C4' energy: -105.613
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -58.753
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -919.970049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.970049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.970049 (E_RNA)
where:
Base-Base interactions energy: -552.471
where: short stacking energy: -267.093
Base-Backbone interact. energy: -2.973
local terms energy: -364.526062
where:
bonds (distance) C4'-P energy: -96.950
bonds (distance) P-C4' energy: -72.961
flat angles C4'-P-C4' energy: -103.433
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -33.586
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: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -735.691547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.691547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.691547 (E_RNA)
where:
Base-Base interactions energy: -392.639
where: short stacking energy: -229.181
Base-Backbone interact. energy: -0.337
local terms energy: -342.715172
where:
bonds (distance) C4'-P energy: -98.002
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -81.619
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -470.560139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.560139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.560139 (E_RNA)
where:
Base-Base interactions energy: -189.252
where: short stacking energy: -130.071
Base-Backbone interact. energy: 1.341
local terms energy: -282.649679
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -105.815
flat angles C4'-P-C4' energy: -74.828
flat angles P-C4'-P energy: -44.274
tors. eta vs tors. theta energy: 30.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2187.302984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.302984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.302984 (E_RNA)
where:
Base-Base interactions energy: -1511.930
where: short stacking energy: -621.776
Base-Backbone interact. energy: -4.586
local terms energy: -670.787912
where:
bonds (distance) C4'-P energy: -127.506
bonds (distance) P-C4' energy: -132.009
flat angles C4'-P-C4' energy: -142.963
flat angles P-C4'-P energy: -83.157
tors. eta vs tors. theta energy: -185.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2052.440369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.440369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.440369 (E_RNA)
where:
Base-Base interactions energy: -1441.055
where: short stacking energy: -578.657
Base-Backbone interact. energy: 1.540
local terms energy: -612.925416
where:
bonds (distance) C4'-P energy: -109.085
bonds (distance) P-C4' energy: -126.498
flat angles C4'-P-C4' energy: -113.990
flat angles P-C4'-P energy: -86.897
tors. eta vs tors. theta energy: -176.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1945.503078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.503078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.503078 (E_RNA)
where:
Base-Base interactions energy: -1319.337
where: short stacking energy: -554.363
Base-Backbone interact. energy: -1.066
local terms energy: -625.100385
where:
bonds (distance) C4'-P energy: -105.180
bonds (distance) P-C4' energy: -119.573
flat angles C4'-P-C4' energy: -132.414
flat angles P-C4'-P energy: -96.905
tors. eta vs tors. theta energy: -171.029
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1888.511021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.511021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.511021 (E_RNA)
where:
Base-Base interactions energy: -1297.997
where: short stacking energy: -543.643
Base-Backbone interact. energy: 0.119
local terms energy: -590.633364
where:
bonds (distance) C4'-P energy: -110.090
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -135.836
flat angles P-C4'-P energy: -78.461
tors. eta vs tors. theta energy: -159.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1631.802882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.802882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.802882 (E_RNA)
where:
Base-Base interactions energy: -1080.207
where: short stacking energy: -479.206
Base-Backbone interact. energy: -0.891
local terms energy: -550.704448
where:
bonds (distance) C4'-P energy: -109.674
bonds (distance) P-C4' energy: -107.663
flat angles C4'-P-C4' energy: -113.099
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: -144.403
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1651.454262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.454262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.454262 (E_RNA)
where:
Base-Base interactions energy: -1105.009
where: short stacking energy: -462.889
Base-Backbone interact. energy: -2.618
local terms energy: -543.827996
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -118.365
flat angles C4'-P-C4' energy: -121.810
flat angles P-C4'-P energy: -64.711
tors. eta vs tors. theta energy: -137.138
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: 372
Temperature: 1.200000
Total energy: -1177.334068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.334068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.334068 (E_RNA)
where:
Base-Base interactions energy: -726.484
where: short stacking energy: -337.923
Base-Backbone interact. energy: -0.808
local terms energy: -450.041902
where:
bonds (distance) C4'-P energy: -97.449
bonds (distance) P-C4' energy: -109.433
flat angles C4'-P-C4' energy: -106.113
flat angles P-C4'-P energy: -65.850
tors. eta vs tors. theta energy: -71.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -984.852042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.852042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.852042 (E_RNA)
where:
Base-Base interactions energy: -572.766
where: short stacking energy: -298.688
Base-Backbone interact. energy: -3.895
local terms energy: -408.190815
where:
bonds (distance) C4'-P energy: -94.965
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -94.451
flat angles P-C4'-P energy: -72.120
tors. eta vs tors. theta energy: -47.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -707.328172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.328172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.328172 (E_RNA)
where:
Base-Base interactions energy: -356.042
where: short stacking energy: -202.888
Base-Backbone interact. energy: 7.615
local terms energy: -358.901914
where:
bonds (distance) C4'-P energy: -97.304
bonds (distance) P-C4' energy: -103.981
flat angles C4'-P-C4' energy: -100.616
flat angles P-C4'-P energy: -57.781
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -488.755851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.755851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.755851 (E_RNA)
where:
Base-Base interactions energy: -184.383
where: short stacking energy: -127.474
Base-Backbone interact. energy: 1.219
local terms energy: -305.591817
where:
bonds (distance) C4'-P energy: -104.105
bonds (distance) P-C4' energy: -105.716
flat angles C4'-P-C4' energy: -86.662
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: 36.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2190.854241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.854241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.854241 (E_RNA)
where:
Base-Base interactions energy: -1511.898
where: short stacking energy: -603.719
Base-Backbone interact. energy: 0.281
local terms energy: -679.236951
where:
bonds (distance) C4'-P energy: -117.729
bonds (distance) P-C4' energy: -118.989
flat angles C4'-P-C4' energy: -155.684
flat angles P-C4'-P energy: -106.163
tors. eta vs tors. theta energy: -180.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2054.627009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.627009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.627009 (E_RNA)
where:
Base-Base interactions energy: -1391.856
where: short stacking energy: -591.242
Base-Backbone interact. energy: -2.544
local terms energy: -660.227153
where:
bonds (distance) C4'-P energy: -129.536
bonds (distance) P-C4' energy: -114.959
flat angles C4'-P-C4' energy: -131.372
flat angles P-C4'-P energy: -103.749
tors. eta vs tors. theta energy: -180.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1917.765332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.765332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.765332 (E_RNA)
where:
Base-Base interactions energy: -1293.891
where: short stacking energy: -537.086
Base-Backbone interact. energy: -2.110
local terms energy: -621.763465
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -123.853
flat angles C4'-P-C4' energy: -120.655
flat angles P-C4'-P energy: -92.714
tors. eta vs tors. theta energy: -176.185
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: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1848.185172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.185172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.185172 (E_RNA)
where:
Base-Base interactions energy: -1270.892
where: short stacking energy: -552.287
Base-Backbone interact. energy: 2.253
local terms energy: -579.546831
where:
bonds (distance) C4'-P energy: -114.500
bonds (distance) P-C4' energy: -109.117
flat angles C4'-P-C4' energy: -117.051
flat angles P-C4'-P energy: -85.820
tors. eta vs tors. theta energy: -153.060
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: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1682.950934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.950934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.950934 (E_RNA)
where:
Base-Base interactions energy: -1114.771
where: short stacking energy: -493.473
Base-Backbone interact. energy: 2.224
local terms energy: -570.403875
where:
bonds (distance) C4'-P energy: -105.444
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -124.053
flat angles P-C4'-P energy: -85.448
tors. eta vs tors. theta energy: -141.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1665.521619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.521619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.521619 (E_RNA)
where:
Base-Base interactions energy: -1103.193
where: short stacking energy: -482.843
Base-Backbone interact. energy: -3.500
local terms energy: -558.828242
where:
bonds (distance) C4'-P energy: -113.674
bonds (distance) P-C4' energy: -122.440
flat angles C4'-P-C4' energy: -119.307
flat angles P-C4'-P energy: -77.760
tors. eta vs tors. theta energy: -125.647
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: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1106.897624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.897624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.897624 (E_RNA)
where:
Base-Base interactions energy: -696.513
where: short stacking energy: -300.198
Base-Backbone interact. energy: 10.580
local terms energy: -420.965451
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -91.888
flat angles C4'-P-C4' energy: -113.731
flat angles P-C4'-P energy: -62.120
tors. eta vs tors. theta energy: -49.757
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: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1093.065713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.065713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.065713 (E_RNA)
where:
Base-Base interactions energy: -661.650
where: short stacking energy: -300.435
Base-Backbone interact. energy: -1.547
local terms energy: -429.868694
where:
bonds (distance) C4'-P energy: -98.580
bonds (distance) P-C4' energy: -104.718
flat angles C4'-P-C4' energy: -94.862
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -74.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -731.510228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.510228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.510228 (E_RNA)
where:
Base-Base interactions energy: -387.466
where: short stacking energy: -223.401
Base-Backbone interact. energy: -2.081
local terms energy: -341.962752
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -106.122
flat angles C4'-P-C4' energy: -93.054
flat angles P-C4'-P energy: -51.040
tors. eta vs tors. theta energy: -3.482
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: 373
Temperature: 1.350000
Total energy: -485.244427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.244427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.244427 (E_RNA)
where:
Base-Base interactions energy: -186.445
where: short stacking energy: -100.376
Base-Backbone interact. energy: 1.797
local terms energy: -300.596511
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -109.361
flat angles C4'-P-C4' energy: -84.192
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: 18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2178.730151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.730151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.730151 (E_RNA)
where:
Base-Base interactions energy: -1524.010
where: short stacking energy: -617.387
Base-Backbone interact. energy: -1.758
local terms energy: -652.962656
where:
bonds (distance) C4'-P energy: -101.966
bonds (distance) P-C4' energy: -129.426
flat angles C4'-P-C4' energy: -145.073
flat angles P-C4'-P energy: -98.413
tors. eta vs tors. theta energy: -178.085
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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2079.335999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.335999 (E_RNA)
where:
Base-Base interactions energy: -1428.684
where: short stacking energy: -582.952
Base-Backbone interact. energy: 1.952
local terms energy: -652.603831
where:
bonds (distance) C4'-P energy: -105.352
bonds (distance) P-C4' energy: -129.203
flat angles C4'-P-C4' energy: -126.765
flat angles P-C4'-P energy: -102.701
tors. eta vs tors. theta energy: -188.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1922.573214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.573214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.573214 (E_RNA)
where:
Base-Base interactions energy: -1288.510
where: short stacking energy: -550.367
Base-Backbone interact. energy: 0.594
local terms energy: -634.657095
where:
bonds (distance) C4'-P energy: -114.872
bonds (distance) P-C4' energy: -123.959
flat angles C4'-P-C4' energy: -130.994
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -175.796
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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1859.721442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.721442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.721442 (E_RNA)
where:
Base-Base interactions energy: -1277.326
where: short stacking energy: -511.124
Base-Backbone interact. energy: 1.020
local terms energy: -583.415464
where:
bonds (distance) C4'-P energy: -113.728
bonds (distance) P-C4' energy: -111.627
flat angles C4'-P-C4' energy: -122.078
flat angles P-C4'-P energy: -85.847
tors. eta vs tors. theta energy: -150.135
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: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1660.044407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.044407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.044407 (E_RNA)
where:
Base-Base interactions energy: -1085.413
where: short stacking energy: -469.872
Base-Backbone interact. energy: -0.883
local terms energy: -573.748282
where:
bonds (distance) C4'-P energy: -104.149
bonds (distance) P-C4' energy: -129.713
flat angles C4'-P-C4' energy: -115.689
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -146.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1597.014416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.014416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.014416 (E_RNA)
where:
Base-Base interactions energy: -1039.064
where: short stacking energy: -441.658
Base-Backbone interact. energy: -4.568
local terms energy: -553.382996
where:
bonds (distance) C4'-P energy: -110.335
bonds (distance) P-C4' energy: -116.862
flat angles C4'-P-C4' energy: -128.727
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -122.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1160.237532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.237532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.237532 (E_RNA)
where:
Base-Base interactions energy: -722.926
where: short stacking energy: -319.894
Base-Backbone interact. energy: -3.292
local terms energy: -434.019424
where:
bonds (distance) C4'-P energy: -109.477
bonds (distance) P-C4' energy: -98.955
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -59.028
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1056.447350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.447350 (E_RNA)
where:
Base-Base interactions energy: -642.037
where: short stacking energy: -294.269
Base-Backbone interact. energy: 1.831
local terms energy: -416.241488
where:
bonds (distance) C4'-P energy: -98.459
bonds (distance) P-C4' energy: -102.094
flat angles C4'-P-C4' energy: -104.704
flat angles P-C4'-P energy: -60.046
tors. eta vs tors. theta energy: -50.938
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: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -677.241754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.241754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.241754 (E_RNA)
where:
Base-Base interactions energy: -318.884
where: short stacking energy: -176.895
Base-Backbone interact. energy: 3.401
local terms energy: -361.758184
where:
bonds (distance) C4'-P energy: -101.052
bonds (distance) P-C4' energy: -99.343
flat angles C4'-P-C4' energy: -103.306
flat angles P-C4'-P energy: -68.479
tors. eta vs tors. theta energy: 10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -490.363983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.363983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.363983 (E_RNA)
where:
Base-Base interactions energy: -192.627
where: short stacking energy: -163.761
Base-Backbone interact. energy: -2.118
local terms energy: -295.618955
where:
bonds (distance) C4'-P energy: -75.279
bonds (distance) P-C4' energy: -95.310
flat angles C4'-P-C4' energy: -72.620
flat angles P-C4'-P energy: -53.625
tors. eta vs tors. theta energy: 1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2173.746390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.746390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.746390 (E_RNA)
where:
Base-Base interactions energy: -1541.258
where: short stacking energy: -632.807
Base-Backbone interact. energy: -0.134
local terms energy: -632.354217
where:
bonds (distance) C4'-P energy: -110.805
bonds (distance) P-C4' energy: -109.773
flat angles C4'-P-C4' energy: -132.129
flat angles P-C4'-P energy: -91.997
tors. eta vs tors. theta energy: -187.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2066.761684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.761684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.761684 (E_RNA)
where:
Base-Base interactions energy: -1428.796
where: short stacking energy: -611.960
Base-Backbone interact. energy: -3.368
local terms energy: -634.597148
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -117.101
flat angles C4'-P-C4' energy: -140.880
flat angles P-C4'-P energy: -93.632
tors. eta vs tors. theta energy: -186.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1848.747990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.747990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.747990 (E_RNA)
where:
Base-Base interactions energy: -1268.611
where: short stacking energy: -550.526
Base-Backbone interact. energy: 0.817
local terms energy: -580.953828
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -114.421
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -159.962
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: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1882.417293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.417293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.417293 (E_RNA)
where:
Base-Base interactions energy: -1270.610
where: short stacking energy: -517.816
Base-Backbone interact. energy: -3.096
local terms energy: -608.710596
where:
bonds (distance) C4'-P energy: -119.549
bonds (distance) P-C4' energy: -115.682
flat angles C4'-P-C4' energy: -126.903
flat angles P-C4'-P energy: -87.035
tors. eta vs tors. theta energy: -159.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1659.267415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.267415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.267415 (E_RNA)
where:
Base-Base interactions energy: -1112.224
where: short stacking energy: -489.877
Base-Backbone interact. energy: 0.593
local terms energy: -547.636172
where:
bonds (distance) C4'-P energy: -94.169
bonds (distance) P-C4' energy: -112.565
flat angles C4'-P-C4' energy: -125.007
flat angles P-C4'-P energy: -74.106
tors. eta vs tors. theta energy: -141.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1584.964533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.964533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.964533 (E_RNA)
where:
Base-Base interactions energy: -1065.232
where: short stacking energy: -457.505
Base-Backbone interact. energy: -2.990
local terms energy: -516.742299
where:
bonds (distance) C4'-P energy: -87.337
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -126.512
flat angles P-C4'-P energy: -77.094
tors. eta vs tors. theta energy: -116.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1103.099484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.099484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.099484 (E_RNA)
where:
Base-Base interactions energy: -656.276
where: short stacking energy: -329.530
Base-Backbone interact. energy: -2.414
local terms energy: -444.409081
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -116.591
flat angles C4'-P-C4' energy: -106.762
flat angles P-C4'-P energy: -67.448
tors. eta vs tors. theta energy: -60.768
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: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1058.526492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.526492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.526492 (E_RNA)
where:
Base-Base interactions energy: -676.837
where: short stacking energy: -294.346
Base-Backbone interact. energy: 0.610
local terms energy: -382.299486
where:
bonds (distance) C4'-P energy: -89.659
bonds (distance) P-C4' energy: -104.820
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -43.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -630.102813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.102813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.102813 (E_RNA)
where:
Base-Base interactions energy: -263.829
where: short stacking energy: -176.587
Base-Backbone interact. energy: 1.582
local terms energy: -367.855077
where:
bonds (distance) C4'-P energy: -96.337
bonds (distance) P-C4' energy: -116.111
flat angles C4'-P-C4' energy: -84.241
flat angles P-C4'-P energy: -65.391
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -455.558676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.558676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.558676 (E_RNA)
where:
Base-Base interactions energy: -124.391
where: short stacking energy: -95.127
Base-Backbone interact. energy: -1.213
local terms energy: -329.954105
where:
bonds (distance) C4'-P energy: -111.026
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -89.241
flat angles P-C4'-P energy: -56.777
tors. eta vs tors. theta energy: 36.229
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: 376
Temperature: 0.900000
Total energy: -2207.426286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.426286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.426286 (E_RNA)
where:
Base-Base interactions energy: -1560.450
where: short stacking energy: -641.207
Base-Backbone interact. energy: -0.044
local terms energy: -646.931677
where:
bonds (distance) C4'-P energy: -115.160
bonds (distance) P-C4' energy: -105.143
flat angles C4'-P-C4' energy: -139.356
flat angles P-C4'-P energy: -95.843
tors. eta vs tors. theta energy: -191.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2109.149475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.149475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.149475 (E_RNA)
where:
Base-Base interactions energy: -1464.006
where: short stacking energy: -608.866
Base-Backbone interact. energy: -0.615
local terms energy: -644.527750
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -122.748
flat angles C4'-P-C4' energy: -122.898
flat angles P-C4'-P energy: -91.875
tors. eta vs tors. theta energy: -185.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1935.956183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.956183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.956183 (E_RNA)
where:
Base-Base interactions energy: -1328.452
where: short stacking energy: -531.425
Base-Backbone interact. energy: -0.029
local terms energy: -607.475817
where:
bonds (distance) C4'-P energy: -112.619
bonds (distance) P-C4' energy: -98.358
flat angles C4'-P-C4' energy: -143.660
flat angles P-C4'-P energy: -88.166
tors. eta vs tors. theta energy: -164.672
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: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1828.424501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.424501 (E_RNA)
where:
Base-Base interactions energy: -1233.425
where: short stacking energy: -516.483
Base-Backbone interact. energy: 2.607
local terms energy: -597.606892
where:
bonds (distance) C4'-P energy: -115.148
bonds (distance) P-C4' energy: -101.564
flat angles C4'-P-C4' energy: -138.996
flat angles P-C4'-P energy: -86.325
tors. eta vs tors. theta energy: -155.574
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1678.186539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.186539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.186539 (E_RNA)
where:
Base-Base interactions energy: -1114.615
where: short stacking energy: -461.617
Base-Backbone interact. energy: -0.364
local terms energy: -563.207046
where:
bonds (distance) C4'-P energy: -106.931
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -129.399
flat angles P-C4'-P energy: -93.200
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: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1625.806749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.806749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.806749 (E_RNA)
where:
Base-Base interactions energy: -1073.886
where: short stacking energy: -489.304
Base-Backbone interact. energy: -1.943
local terms energy: -549.978182
where:
bonds (distance) C4'-P energy: -108.003
bonds (distance) P-C4' energy: -113.921
flat angles C4'-P-C4' energy: -121.683
flat angles P-C4'-P energy: -68.260
tors. eta vs tors. theta energy: -138.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1141.737251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.737251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.737251 (E_RNA)
where:
Base-Base interactions energy: -718.301
where: short stacking energy: -310.541
Base-Backbone interact. energy: -2.295
local terms energy: -421.141298
where:
bonds (distance) C4'-P energy: -101.012
bonds (distance) P-C4' energy: -113.425
flat angles C4'-P-C4' energy: -107.493
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: -55.667
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1067.555577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.555577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.555577 (E_RNA)
where:
Base-Base interactions energy: -647.913
where: short stacking energy: -269.413
Base-Backbone interact. energy: 3.173
local terms energy: -422.815194
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -60.275
tors. eta vs tors. theta energy: -41.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -626.906457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.906457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.906457 (E_RNA)
where:
Base-Base interactions energy: -272.953
where: short stacking energy: -184.530
Base-Backbone interact. energy: -2.638
local terms energy: -351.315675
where:
bonds (distance) C4'-P energy: -101.347
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -88.567
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -460.952885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.952885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.952885 (E_RNA)
where:
Base-Base interactions energy: -136.139
where: short stacking energy: -128.330
Base-Backbone interact. energy: 6.599
local terms energy: -331.412388
where:
bonds (distance) C4'-P energy: -111.602
bonds (distance) P-C4' energy: -100.055
flat angles C4'-P-C4' energy: -73.075
flat angles P-C4'-P energy: -67.518
tors. eta vs tors. theta energy: 20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2175.852513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.852513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.852513 (E_RNA)
where:
Base-Base interactions energy: -1527.258
where: short stacking energy: -624.080
Base-Backbone interact. energy: -0.598
local terms energy: -647.996501
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -119.518
flat angles C4'-P-C4' energy: -138.325
flat angles P-C4'-P energy: -79.333
tors. eta vs tors. theta energy: -189.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2058.714029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.714029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.714029 (E_RNA)
where:
Base-Base interactions energy: -1407.238
where: short stacking energy: -566.383
Base-Backbone interact. energy: 0.925
local terms energy: -652.400965
where:
bonds (distance) C4'-P energy: -122.726
bonds (distance) P-C4' energy: -129.684
flat angles C4'-P-C4' energy: -129.864
flat angles P-C4'-P energy: -98.106
tors. eta vs tors. theta energy: -172.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1941.337300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.337300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.337300 (E_RNA)
where:
Base-Base interactions energy: -1298.021
where: short stacking energy: -554.203
Base-Backbone interact. energy: -2.989
local terms energy: -640.327126
where:
bonds (distance) C4'-P energy: -121.063
bonds (distance) P-C4' energy: -109.176
flat angles C4'-P-C4' energy: -137.883
flat angles P-C4'-P energy: -88.510
tors. eta vs tors. theta energy: -183.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1815.246151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.246151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.246151 (E_RNA)
where:
Base-Base interactions energy: -1251.225
where: short stacking energy: -551.821
Base-Backbone interact. energy: -1.527
local terms energy: -562.494124
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -114.135
flat angles C4'-P-C4' energy: -114.493
flat angles P-C4'-P energy: -73.653
tors. eta vs tors. theta energy: -153.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1681.379852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.379852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.379852 (E_RNA)
where:
Base-Base interactions energy: -1128.588
where: short stacking energy: -489.942
Base-Backbone interact. energy: -0.003
local terms energy: -552.789026
where:
bonds (distance) C4'-P energy: -111.712
bonds (distance) P-C4' energy: -107.860
flat angles C4'-P-C4' energy: -110.266
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -151.677
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: 377
Temperature: 1.150000
Total energy: -1616.654362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.654362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.654362 (E_RNA)
where:
Base-Base interactions energy: -1065.339
where: short stacking energy: -454.482
Base-Backbone interact. energy: -2.368
local terms energy: -548.947614
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -113.175
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -135.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1097.841674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.841674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.841674 (E_RNA)
where:
Base-Base interactions energy: -645.680
where: short stacking energy: -307.509
Base-Backbone interact. energy: -2.221
local terms energy: -449.940969
where:
bonds (distance) C4'-P energy: -102.377
bonds (distance) P-C4' energy: -104.276
flat angles C4'-P-C4' energy: -123.050
flat angles P-C4'-P energy: -60.211
tors. eta vs tors. theta energy: -60.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -911.158521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.158521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.158521 (E_RNA)
where:
Base-Base interactions energy: -570.305
where: short stacking energy: -246.178
Base-Backbone interact. energy: 1.923
local terms energy: -342.776658
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -106.085
flat angles C4'-P-C4' energy: -73.561
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -19.132
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: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -659.737225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.737225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.737225 (E_RNA)
where:
Base-Base interactions energy: -273.281
where: short stacking energy: -178.947
Base-Backbone interact. energy: -1.013
local terms energy: -385.442751
where:
bonds (distance) C4'-P energy: -108.375
bonds (distance) P-C4' energy: -106.347
flat angles C4'-P-C4' energy: -96.363
flat angles P-C4'-P energy: -62.810
tors. eta vs tors. theta energy: -11.548
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: 377
Temperature: 1.350000
Total energy: -480.476007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.476007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.476007 (E_RNA)
where:
Base-Base interactions energy: -156.743
where: short stacking energy: -125.865
Base-Backbone interact. energy: 0.919
local terms energy: -324.651522
where:
bonds (distance) C4'-P energy: -118.888
bonds (distance) P-C4' energy: -94.872
flat angles C4'-P-C4' energy: -94.432
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: 5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2184.633417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.633417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.633417 (E_RNA)
where:
Base-Base interactions energy: -1534.142
where: short stacking energy: -626.751
Base-Backbone interact. energy: -2.505
local terms energy: -647.986719
where:
bonds (distance) C4'-P energy: -116.615
bonds (distance) P-C4' energy: -121.715
flat angles C4'-P-C4' energy: -134.385
flat angles P-C4'-P energy: -86.102
tors. eta vs tors. theta energy: -189.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2050.754350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.754350 (E_RNA)
where:
Base-Base interactions energy: -1402.769
where: short stacking energy: -582.946
Base-Backbone interact. energy: -2.701
local terms energy: -645.283996
where:
bonds (distance) C4'-P energy: -121.981
bonds (distance) P-C4' energy: -118.698
flat angles C4'-P-C4' energy: -139.974
flat angles P-C4'-P energy: -90.407
tors. eta vs tors. theta energy: -174.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1954.707694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.707694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.707694 (E_RNA)
where:
Base-Base interactions energy: -1349.420
where: short stacking energy: -529.888
Base-Backbone interact. energy: -2.409
local terms energy: -602.878657
where:
bonds (distance) C4'-P energy: -112.136
bonds (distance) P-C4' energy: -114.723
flat angles C4'-P-C4' energy: -125.649
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -172.365
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: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1798.390894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.390894 (E_RNA)
where:
Base-Base interactions energy: -1227.241
where: short stacking energy: -501.343
Base-Backbone interact. energy: -3.652
local terms energy: -567.498376
where:
bonds (distance) C4'-P energy: -111.385
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -121.794
flat angles P-C4'-P energy: -80.857
tors. eta vs tors. theta energy: -140.792
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: 378
Temperature: 1.100000
Total energy: -1699.914568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.914568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.914568 (E_RNA)
where:
Base-Base interactions energy: -1128.018
where: short stacking energy: -492.663
Base-Backbone interact. energy: -0.473
local terms energy: -571.423234
where:
bonds (distance) C4'-P energy: -96.048
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -125.379
flat angles P-C4'-P energy: -89.019
tors. eta vs tors. theta energy: -139.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1701.165150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.165150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.165150 (E_RNA)
where:
Base-Base interactions energy: -1125.436
where: short stacking energy: -467.662
Base-Backbone interact. energy: -2.400
local terms energy: -573.328818
where:
bonds (distance) C4'-P energy: -103.854
bonds (distance) P-C4' energy: -115.456
flat angles C4'-P-C4' energy: -124.271
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -145.161
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: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1096.585537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.585537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.585537 (E_RNA)
where:
Base-Base interactions energy: -622.016
where: short stacking energy: -297.546
Base-Backbone interact. energy: -0.547
local terms energy: -474.022830
where:
bonds (distance) C4'-P energy: -109.398
bonds (distance) P-C4' energy: -105.604
flat angles C4'-P-C4' energy: -106.254
flat angles P-C4'-P energy: -79.628
tors. eta vs tors. theta energy: -73.139
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: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -968.949217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.949217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.949217 (E_RNA)
where:
Base-Base interactions energy: -539.688
where: short stacking energy: -289.506
Base-Backbone interact. energy: 3.670
local terms energy: -432.930670
where:
bonds (distance) C4'-P energy: -97.927
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -106.130
flat angles P-C4'-P energy: -62.860
tors. eta vs tors. theta energy: -63.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -604.062109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.062109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.062109 (E_RNA)
where:
Base-Base interactions energy: -271.378
where: short stacking energy: -155.345
Base-Backbone interact. energy: -2.373
local terms energy: -330.310807
where:
bonds (distance) C4'-P energy: -103.543
bonds (distance) P-C4' energy: -110.409
flat angles C4'-P-C4' energy: -89.588
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: 21.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -479.581446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.581446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.581446 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -117.839
Base-Backbone interact. energy: -4.061
local terms energy: -322.535967
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -92.748
flat angles C4'-P-C4' energy: -92.776
flat angles P-C4'-P energy: -58.207
tors. eta vs tors. theta energy: 17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2188.960574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.960574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.960574 (E_RNA)
where:
Base-Base interactions energy: -1533.669
where: short stacking energy: -597.837
Base-Backbone interact. energy: -0.873
local terms energy: -654.418649
where:
bonds (distance) C4'-P energy: -107.836
bonds (distance) P-C4' energy: -126.177
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -101.565
tors. eta vs tors. theta energy: -179.508
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: 379
Temperature: 0.950000
Total energy: -2034.972966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.972966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.972966 (E_RNA)
where:
Base-Base interactions energy: -1369.369
where: short stacking energy: -585.190
Base-Backbone interact. energy: 1.766
local terms energy: -667.369850
where:
bonds (distance) C4'-P energy: -131.212
bonds (distance) P-C4' energy: -125.125
flat angles C4'-P-C4' energy: -132.236
flat angles P-C4'-P energy: -93.484
tors. eta vs tors. theta energy: -185.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1992.106734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.106734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.106734 (E_RNA)
where:
Base-Base interactions energy: -1375.558
where: short stacking energy: -554.058
Base-Backbone interact. energy: -3.670
local terms energy: -612.878325
where:
bonds (distance) C4'-P energy: -107.739
bonds (distance) P-C4' energy: -116.620
flat angles C4'-P-C4' energy: -132.600
flat angles P-C4'-P energy: -88.229
tors. eta vs tors. theta energy: -167.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1862.141623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.141623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.141623 (E_RNA)
where:
Base-Base interactions energy: -1275.592
where: short stacking energy: -514.998
Base-Backbone interact. energy: -1.455
local terms energy: -585.094623
where:
bonds (distance) C4'-P energy: -112.842
bonds (distance) P-C4' energy: -110.952
flat angles C4'-P-C4' energy: -120.245
flat angles P-C4'-P energy: -89.115
tors. eta vs tors. theta energy: -151.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1679.482222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.482222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.482222 (E_RNA)
where:
Base-Base interactions energy: -1110.128
where: short stacking energy: -484.261
Base-Backbone interact. energy: 1.443
local terms energy: -570.797268
where:
bonds (distance) C4'-P energy: -99.109
bonds (distance) P-C4' energy: -112.613
flat angles C4'-P-C4' energy: -128.615
flat angles P-C4'-P energy: -78.172
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: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1550.659852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.659852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.659852 (E_RNA)
where:
Base-Base interactions energy: -1022.858
where: short stacking energy: -447.188
Base-Backbone interact. energy: -2.231
local terms energy: -525.570227
where:
bonds (distance) C4'-P energy: -103.899
bonds (distance) P-C4' energy: -103.117
flat angles C4'-P-C4' energy: -123.299
flat angles P-C4'-P energy: -74.171
tors. eta vs tors. theta energy: -121.085
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: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1144.303642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.303642 (E_RNA)
where:
Base-Base interactions energy: -688.835
where: short stacking energy: -317.601
Base-Backbone interact. energy: 0.375
local terms energy: -455.843197
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -116.977
flat angles C4'-P-C4' energy: -104.641
flat angles P-C4'-P energy: -65.893
tors. eta vs tors. theta energy: -58.805
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: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -992.894003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.894003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.894003 (E_RNA)
where:
Base-Base interactions energy: -585.575
where: short stacking energy: -283.461
Base-Backbone interact. energy: -2.308
local terms energy: -405.010975
where:
bonds (distance) C4'-P energy: -90.442
bonds (distance) P-C4' energy: -93.062
flat angles C4'-P-C4' energy: -110.043
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -43.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -626.984084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.984084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.984084 (E_RNA)
where:
Base-Base interactions energy: -282.763
where: short stacking energy: -200.169
Base-Backbone interact. energy: 2.766
local terms energy: -346.987058
where:
bonds (distance) C4'-P energy: -93.139
bonds (distance) P-C4' energy: -108.470
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -48.547
tors. eta vs tors. theta energy: -24.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -497.114824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.114824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.114824 (E_RNA)
where:
Base-Base interactions energy: -187.641
where: short stacking energy: -128.602
Base-Backbone interact. energy: 0.310
local terms energy: -309.783804
where:
bonds (distance) C4'-P energy: -90.542
bonds (distance) P-C4' energy: -113.044
flat angles C4'-P-C4' energy: -80.005
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: 22.319
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: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2172.402410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.402410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.402410 (E_RNA)
where:
Base-Base interactions energy: -1509.744
where: short stacking energy: -599.235
Base-Backbone interact. energy: -2.610
local terms energy: -660.047590
where:
bonds (distance) C4'-P energy: -111.870
bonds (distance) P-C4' energy: -129.052
flat angles C4'-P-C4' energy: -141.934
flat angles P-C4'-P energy: -100.782
tors. eta vs tors. theta energy: -176.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2008.671394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.671394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.671394 (E_RNA)
where:
Base-Base interactions energy: -1366.640
where: short stacking energy: -553.157
Base-Backbone interact. energy: -5.668
local terms energy: -636.363459
where:
bonds (distance) C4'-P energy: -122.451
bonds (distance) P-C4' energy: -122.045
flat angles C4'-P-C4' energy: -130.847
flat angles P-C4'-P energy: -88.877
tors. eta vs tors. theta energy: -172.143
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: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2003.274529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.274529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.274529 (E_RNA)
where:
Base-Base interactions energy: -1388.292
where: short stacking energy: -565.131
Base-Backbone interact. energy: -3.034
local terms energy: -611.949011
where:
bonds (distance) C4'-P energy: -102.213
bonds (distance) P-C4' energy: -124.061
flat angles C4'-P-C4' energy: -133.328
flat angles P-C4'-P energy: -87.632
tors. eta vs tors. theta energy: -164.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1853.041071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.041071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.041071 (E_RNA)
where:
Base-Base interactions energy: -1252.861
where: short stacking energy: -510.076
Base-Backbone interact. energy: -1.939
local terms energy: -598.241616
where:
bonds (distance) C4'-P energy: -94.742
bonds (distance) P-C4' energy: -117.009
flat angles C4'-P-C4' energy: -128.165
flat angles P-C4'-P energy: -94.846
tors. eta vs tors. theta energy: -163.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1718.074326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.074326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.074326 (E_RNA)
where:
Base-Base interactions energy: -1118.081
where: short stacking energy: -504.459
Base-Backbone interact. energy: -0.954
local terms energy: -599.039443
where:
bonds (distance) C4'-P energy: -116.696
bonds (distance) P-C4' energy: -123.903
flat angles C4'-P-C4' energy: -113.849
flat angles P-C4'-P energy: -88.524
tors. eta vs tors. theta energy: -156.069
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: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1569.706968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.706968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.706968 (E_RNA)
where:
Base-Base interactions energy: -1056.752
where: short stacking energy: -449.852
Base-Backbone interact. energy: -3.069
local terms energy: -509.886069
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -87.114
flat angles C4'-P-C4' energy: -114.836
flat angles P-C4'-P energy: -81.155
tors. eta vs tors. theta energy: -112.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1204.618621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.618621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.618621 (E_RNA)
where:
Base-Base interactions energy: -757.558
where: short stacking energy: -319.629
Base-Backbone interact. energy: -3.816
local terms energy: -443.244268
where:
bonds (distance) C4'-P energy: -89.608
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -113.306
flat angles P-C4'-P energy: -73.985
tors. eta vs tors. theta energy: -56.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1025.625518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.625518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.625518 (E_RNA)
where:
Base-Base interactions energy: -634.390
where: short stacking energy: -296.783
Base-Backbone interact. energy: -2.254
local terms energy: -388.980776
where:
bonds (distance) C4'-P energy: -84.005
bonds (distance) P-C4' energy: -109.650
flat angles C4'-P-C4' energy: -108.153
flat angles P-C4'-P energy: -60.639
tors. eta vs tors. theta energy: -26.532
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: 380
Temperature: 1.300000
Total energy: -562.383214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.383214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.383214 (E_RNA)
where:
Base-Base interactions energy: -235.888
where: short stacking energy: -158.763
Base-Backbone interact. energy: -2.412
local terms energy: -324.082586
where:
bonds (distance) C4'-P energy: -98.318
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -34.174
tors. eta vs tors. theta energy: 16.638
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: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -560.693226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.693226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.693226 (E_RNA)
where:
Base-Base interactions energy: -251.592
where: short stacking energy: -159.372
Base-Backbone interact. energy: 5.941
local terms energy: -315.041766
where:
bonds (distance) C4'-P energy: -82.029
bonds (distance) P-C4' energy: -97.092
flat angles C4'-P-C4' energy: -88.111
flat angles P-C4'-P energy: -54.950
tors. eta vs tors. theta energy: 7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2164.234673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.234673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.234673 (E_RNA)
where:
Base-Base interactions energy: -1522.270
where: short stacking energy: -606.056
Base-Backbone interact. energy: 1.812
local terms energy: -643.776039
where:
bonds (distance) C4'-P energy: -112.919
bonds (distance) P-C4' energy: -120.672
flat angles C4'-P-C4' energy: -136.593
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -187.582
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: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2038.751876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.751876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.751876 (E_RNA)
where:
Base-Base interactions energy: -1413.723
where: short stacking energy: -571.061
Base-Backbone interact. energy: -3.076
local terms energy: -621.953224
where:
bonds (distance) C4'-P energy: -119.915
bonds (distance) P-C4' energy: -114.119
flat angles C4'-P-C4' energy: -127.172
flat angles P-C4'-P energy: -81.027
tors. eta vs tors. theta energy: -179.720
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: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1997.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.822880 (E_RNA)
where:
Base-Base interactions energy: -1364.016
where: short stacking energy: -530.446
Base-Backbone interact. energy: -0.243
local terms energy: -633.564327
where:
bonds (distance) C4'-P energy: -135.197
bonds (distance) P-C4' energy: -115.851
flat angles C4'-P-C4' energy: -131.004
flat angles P-C4'-P energy: -85.101
tors. eta vs tors. theta energy: -166.411
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: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1879.901295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.901295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.901295 (E_RNA)
where:
Base-Base interactions energy: -1263.396
where: short stacking energy: -538.130
Base-Backbone interact. energy: 1.729
local terms energy: -618.233551
where:
bonds (distance) C4'-P energy: -114.787
bonds (distance) P-C4' energy: -125.844
flat angles C4'-P-C4' energy: -130.767
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -164.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1714.833799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.833799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.833799 (E_RNA)
where:
Base-Base interactions energy: -1164.046
where: short stacking energy: -482.620
Base-Backbone interact. energy: -1.985
local terms energy: -548.802902
where:
bonds (distance) C4'-P energy: -93.001
bonds (distance) P-C4' energy: -102.709
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -87.729
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: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1536.596228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.596228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.596228 (E_RNA)
where:
Base-Base interactions energy: -1025.544
where: short stacking energy: -447.182
Base-Backbone interact. energy: -4.050
local terms energy: -507.001745
where:
bonds (distance) C4'-P energy: -107.085
bonds (distance) P-C4' energy: -89.917
flat angles C4'-P-C4' energy: -123.551
flat angles P-C4'-P energy: -63.585
tors. eta vs tors. theta energy: -122.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1160.229660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.229660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.229660 (E_RNA)
where:
Base-Base interactions energy: -709.930
where: short stacking energy: -327.923
Base-Backbone interact. energy: -5.332
local terms energy: -444.967442
where:
bonds (distance) C4'-P energy: -105.526
bonds (distance) P-C4' energy: -105.161
flat angles C4'-P-C4' energy: -100.505
flat angles P-C4'-P energy: -69.740
tors. eta vs tors. theta energy: -64.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1019.759064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.759064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.759064 (E_RNA)
where:
Base-Base interactions energy: -600.556
where: short stacking energy: -293.387
Base-Backbone interact. energy: 3.481
local terms energy: -422.684119
where:
bonds (distance) C4'-P energy: -88.769
bonds (distance) P-C4' energy: -123.200
flat angles C4'-P-C4' energy: -105.457
flat angles P-C4'-P energy: -60.932
tors. eta vs tors. theta energy: -44.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -504.044298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.044298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.044298 (E_RNA)
where:
Base-Base interactions energy: -190.349
where: short stacking energy: -161.171
Base-Backbone interact. energy: 5.265
local terms energy: -318.960426
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -110.281
flat angles C4'-P-C4' energy: -81.679
flat angles P-C4'-P energy: -64.639
tors. eta vs tors. theta energy: 10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -577.176061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.176061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.176061 (E_RNA)
where:
Base-Base interactions energy: -261.356
where: short stacking energy: -185.002
Base-Backbone interact. energy: 2.475
local terms energy: -318.295370
where:
bonds (distance) C4'-P energy: -95.058
bonds (distance) P-C4' energy: -84.019
flat angles C4'-P-C4' energy: -82.908
flat angles P-C4'-P energy: -52.954
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2165.435730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.435730 (E_RNA)
where:
Base-Base interactions energy: -1496.971
where: short stacking energy: -596.497
Base-Backbone interact. energy: -2.883
local terms energy: -665.581626
where:
bonds (distance) C4'-P energy: -129.430
bonds (distance) P-C4' energy: -127.708
flat angles C4'-P-C4' energy: -135.291
flat angles P-C4'-P energy: -86.139
tors. eta vs tors. theta energy: -187.014
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2037.176465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.176465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.176465 (E_RNA)
where:
Base-Base interactions energy: -1404.682
where: short stacking energy: -575.908
Base-Backbone interact. energy: -2.535
local terms energy: -629.959580
where:
bonds (distance) C4'-P energy: -118.241
bonds (distance) P-C4' energy: -115.453
flat angles C4'-P-C4' energy: -137.211
flat angles P-C4'-P energy: -82.361
tors. eta vs tors. theta energy: -176.694
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: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2025.709348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.709348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.709348 (E_RNA)
where:
Base-Base interactions energy: -1410.897
where: short stacking energy: -572.773
Base-Backbone interact. energy: -1.097
local terms energy: -613.715402
where:
bonds (distance) C4'-P energy: -110.173
bonds (distance) P-C4' energy: -107.677
flat angles C4'-P-C4' energy: -124.329
flat angles P-C4'-P energy: -95.174
tors. eta vs tors. theta energy: -176.362
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: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1813.457444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.457444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.457444 (E_RNA)
where:
Base-Base interactions energy: -1229.424
where: short stacking energy: -515.396
Base-Backbone interact. energy: -1.552
local terms energy: -582.481582
where:
bonds (distance) C4'-P energy: -109.410
bonds (distance) P-C4' energy: -113.581
flat angles C4'-P-C4' energy: -125.824
flat angles P-C4'-P energy: -79.247
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: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1707.534058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.534058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.534058 (E_RNA)
where:
Base-Base interactions energy: -1150.448
where: short stacking energy: -481.689
Base-Backbone interact. energy: -0.598
local terms energy: -556.488410
where:
bonds (distance) C4'-P energy: -111.856
bonds (distance) P-C4' energy: -102.896
flat angles C4'-P-C4' energy: -123.340
flat angles P-C4'-P energy: -73.099
tors. eta vs tors. theta energy: -145.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1533.780705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.780705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.780705 (E_RNA)
where:
Base-Base interactions energy: -1010.642
where: short stacking energy: -426.017
Base-Backbone interact. energy: -3.534
local terms energy: -519.604100
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -96.733
flat angles C4'-P-C4' energy: -116.447
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -118.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1102.961262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.961262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.961262 (E_RNA)
where:
Base-Base interactions energy: -676.485
where: short stacking energy: -309.725
Base-Backbone interact. energy: -2.233
local terms energy: -424.242950
where:
bonds (distance) C4'-P energy: -121.097
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -96.675
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -52.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1021.991340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.991340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.991340 (E_RNA)
where:
Base-Base interactions energy: -574.769
where: short stacking energy: -272.569
Base-Backbone interact. energy: -2.072
local terms energy: -445.150696
where:
bonds (distance) C4'-P energy: -119.680
bonds (distance) P-C4' energy: -98.927
flat angles C4'-P-C4' energy: -115.680
flat angles P-C4'-P energy: -83.228
tors. eta vs tors. theta energy: -27.635
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: 382
Temperature: 1.300000
Total energy: -539.236223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.236223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.236223 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -159.976
Base-Backbone interact. energy: 2.757
local terms energy: -365.554777
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -104.530
flat angles C4'-P-C4' energy: -100.646
flat angles P-C4'-P energy: -62.197
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -574.881952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.881952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.881952 (E_RNA)
where:
Base-Base interactions energy: -271.448
where: short stacking energy: -181.803
Base-Backbone interact. energy: -0.234
local terms energy: -303.200172
where:
bonds (distance) C4'-P energy: -89.674
bonds (distance) P-C4' energy: -82.270
flat angles C4'-P-C4' energy: -92.750
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2196.408431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.408431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.408431 (E_RNA)
where:
Base-Base interactions energy: -1527.892
where: short stacking energy: -622.448
Base-Backbone interact. energy: -3.540
local terms energy: -664.975869
where:
bonds (distance) C4'-P energy: -123.433
bonds (distance) P-C4' energy: -125.875
flat angles C4'-P-C4' energy: -134.335
flat angles P-C4'-P energy: -94.329
tors. eta vs tors. theta energy: -187.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2052.667796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.667796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.667796 (E_RNA)
where:
Base-Base interactions energy: -1409.244
where: short stacking energy: -608.697
Base-Backbone interact. energy: -3.720
local terms energy: -639.704257
where:
bonds (distance) C4'-P energy: -117.362
bonds (distance) P-C4' energy: -131.230
flat angles C4'-P-C4' energy: -140.555
flat angles P-C4'-P energy: -79.870
tors. eta vs tors. theta energy: -170.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1978.439612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.439612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.439612 (E_RNA)
where:
Base-Base interactions energy: -1357.666
where: short stacking energy: -563.831
Base-Backbone interact. energy: -0.789
local terms energy: -619.984816
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -108.872
flat angles C4'-P-C4' energy: -146.954
flat angles P-C4'-P energy: -84.121
tors. eta vs tors. theta energy: -172.659
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: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1817.980691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.980691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.980691 (E_RNA)
where:
Base-Base interactions energy: -1234.530
where: short stacking energy: -505.536
Base-Backbone interact. energy: -4.416
local terms energy: -579.034389
where:
bonds (distance) C4'-P energy: -114.203
bonds (distance) P-C4' energy: -103.761
flat angles C4'-P-C4' energy: -136.675
flat angles P-C4'-P energy: -87.798
tors. eta vs tors. theta energy: -136.596
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: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1730.213237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.213237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.213237 (E_RNA)
where:
Base-Base interactions energy: -1156.905
where: short stacking energy: -506.991
Base-Backbone interact. energy: -3.675
local terms energy: -569.633482
where:
bonds (distance) C4'-P energy: -98.997
bonds (distance) P-C4' energy: -100.946
flat angles C4'-P-C4' energy: -134.755
flat angles P-C4'-P energy: -82.971
tors. eta vs tors. theta energy: -151.966
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: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1524.101652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.101652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.101652 (E_RNA)
where:
Base-Base interactions energy: -1012.256
where: short stacking energy: -445.594
Base-Backbone interact. energy: -3.003
local terms energy: -508.842276
where:
bonds (distance) C4'-P energy: -89.832
bonds (distance) P-C4' energy: -112.508
flat angles C4'-P-C4' energy: -130.536
flat angles P-C4'-P energy: -60.642
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: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1100.369086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.369086 (E_RNA)
where:
Base-Base interactions energy: -652.666
where: short stacking energy: -307.779
Base-Backbone interact. energy: -0.365
local terms energy: -447.337574
where:
bonds (distance) C4'-P energy: -116.499
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -80.920
flat angles P-C4'-P energy: -74.208
tors. eta vs tors. theta energy: -66.756
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: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1047.811017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.811017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.811017 (E_RNA)
where:
Base-Base interactions energy: -633.550
where: short stacking energy: -277.432
Base-Backbone interact. energy: -0.692
local terms energy: -413.569061
where:
bonds (distance) C4'-P energy: -115.288
bonds (distance) P-C4' energy: -117.782
flat angles C4'-P-C4' energy: -99.894
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -30.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -566.510698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.510698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.510698 (E_RNA)
where:
Base-Base interactions energy: -247.027
where: short stacking energy: -168.529
Base-Backbone interact. energy: -3.127
local terms energy: -316.357147
where:
bonds (distance) C4'-P energy: -103.910
bonds (distance) P-C4' energy: -103.526
flat angles C4'-P-C4' energy: -78.539
flat angles P-C4'-P energy: -44.077
tors. eta vs tors. theta energy: 13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -600.664388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.664388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.664388 (E_RNA)
where:
Base-Base interactions energy: -271.522
where: short stacking energy: -149.610
Base-Backbone interact. energy: 1.533
local terms energy: -330.675741
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -80.439
flat angles P-C4'-P energy: -59.966
tors. eta vs tors. theta energy: 3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2181.971486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.971486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.971486 (E_RNA)
where:
Base-Base interactions energy: -1535.896
where: short stacking energy: -610.863
Base-Backbone interact. energy: -3.530
local terms energy: -642.545669
where:
bonds (distance) C4'-P energy: -121.391
bonds (distance) P-C4' energy: -121.253
flat angles C4'-P-C4' energy: -130.640
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -180.017
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: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2032.142922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.142922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.142922 (E_RNA)
where:
Base-Base interactions energy: -1376.002
where: short stacking energy: -579.801
Base-Backbone interact. energy: -3.490
local terms energy: -652.651079
where:
bonds (distance) C4'-P energy: -123.033
bonds (distance) P-C4' energy: -118.635
flat angles C4'-P-C4' energy: -130.575
flat angles P-C4'-P energy: -95.759
tors. eta vs tors. theta energy: -184.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1954.632028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.632028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.632028 (E_RNA)
where:
Base-Base interactions energy: -1322.500
where: short stacking energy: -556.769
Base-Backbone interact. energy: -3.911
local terms energy: -628.220873
where:
bonds (distance) C4'-P energy: -119.321
bonds (distance) P-C4' energy: -117.637
flat angles C4'-P-C4' energy: -134.323
flat angles P-C4'-P energy: -83.776
tors. eta vs tors. theta energy: -173.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1850.145025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.145025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.145025 (E_RNA)
where:
Base-Base interactions energy: -1288.734
where: short stacking energy: -493.793
Base-Backbone interact. energy: -2.335
local terms energy: -559.076497
where:
bonds (distance) C4'-P energy: -104.628
bonds (distance) P-C4' energy: -83.287
flat angles C4'-P-C4' energy: -134.352
flat angles P-C4'-P energy: -93.455
tors. eta vs tors. theta energy: -143.355
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: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1717.985263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.985263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.985263 (E_RNA)
where:
Base-Base interactions energy: -1135.213
where: short stacking energy: -476.161
Base-Backbone interact. energy: -1.136
local terms energy: -581.636690
where:
bonds (distance) C4'-P energy: -113.413
bonds (distance) P-C4' energy: -106.959
flat angles C4'-P-C4' energy: -125.251
flat angles P-C4'-P energy: -73.451
tors. eta vs tors. theta energy: -162.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1570.440090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.440090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.440090 (E_RNA)
where:
Base-Base interactions energy: -1042.205
where: short stacking energy: -442.235
Base-Backbone interact. energy: 1.324
local terms energy: -529.559603
where:
bonds (distance) C4'-P energy: -107.065
bonds (distance) P-C4' energy: -111.949
flat angles C4'-P-C4' energy: -112.989
flat angles P-C4'-P energy: -77.371
tors. eta vs tors. theta energy: -120.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1085.684710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.684710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.684710 (E_RNA)
where:
Base-Base interactions energy: -661.692
where: short stacking energy: -291.047
Base-Backbone interact. energy: -3.551
local terms energy: -420.442000
where:
bonds (distance) C4'-P energy: -105.395
bonds (distance) P-C4' energy: -92.297
flat angles C4'-P-C4' energy: -100.602
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -50.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -978.318565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.318565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.318565 (E_RNA)
where:
Base-Base interactions energy: -589.850
where: short stacking energy: -265.095
Base-Backbone interact. energy: -4.142
local terms energy: -384.326680
where:
bonds (distance) C4'-P energy: -100.922
bonds (distance) P-C4' energy: -119.630
flat angles C4'-P-C4' energy: -80.331
flat angles P-C4'-P energy: -51.816
tors. eta vs tors. theta energy: -31.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -660.671593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.671593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.671593 (E_RNA)
where:
Base-Base interactions energy: -315.326
where: short stacking energy: -182.907
Base-Backbone interact. energy: 5.178
local terms energy: -350.524514
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -112.959
flat angles C4'-P-C4' energy: -73.206
flat angles P-C4'-P energy: -57.572
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -523.709155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.709155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.709155 (E_RNA)
where:
Base-Base interactions energy: -210.906
where: short stacking energy: -146.302
Base-Backbone interact. energy: -0.489
local terms energy: -312.314071
where:
bonds (distance) C4'-P energy: -103.983
bonds (distance) P-C4' energy: -114.537
flat angles C4'-P-C4' energy: -74.905
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: 19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2174.131974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.131974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.131974 (E_RNA)
where:
Base-Base interactions energy: -1511.003
where: short stacking energy: -598.036
Base-Backbone interact. energy: 1.511
local terms energy: -664.639816
where:
bonds (distance) C4'-P energy: -119.160
bonds (distance) P-C4' energy: -133.533
flat angles C4'-P-C4' energy: -138.080
flat angles P-C4'-P energy: -93.260
tors. eta vs tors. theta energy: -180.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2083.589930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.589930 (E_RNA)
where:
Base-Base interactions energy: -1422.036
where: short stacking energy: -624.893
Base-Backbone interact. energy: -1.651
local terms energy: -659.903580
where:
bonds (distance) C4'-P energy: -119.200
bonds (distance) P-C4' energy: -111.552
flat angles C4'-P-C4' energy: -140.533
flat angles P-C4'-P energy: -94.011
tors. eta vs tors. theta energy: -194.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1962.654523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.654523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.654523 (E_RNA)
where:
Base-Base interactions energy: -1329.374
where: short stacking energy: -554.499
Base-Backbone interact. energy: -3.288
local terms energy: -629.992428
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -125.957
flat angles C4'-P-C4' energy: -134.395
flat angles P-C4'-P energy: -84.972
tors. eta vs tors. theta energy: -164.522
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: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1857.030871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.030871 (E_RNA)
where:
Base-Base interactions energy: -1251.205
where: short stacking energy: -498.630
Base-Backbone interact. energy: -0.949
local terms energy: -604.876768
where:
bonds (distance) C4'-P energy: -130.189
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -122.587
flat angles P-C4'-P energy: -90.428
tors. eta vs tors. theta energy: -148.453
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: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1728.020542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.020542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.020542 (E_RNA)
where:
Base-Base interactions energy: -1154.518
where: short stacking energy: -500.701
Base-Backbone interact. energy: -2.589
local terms energy: -570.914402
where:
bonds (distance) C4'-P energy: -107.586
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -137.973
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -151.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1557.652441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.652441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.652441 (E_RNA)
where:
Base-Base interactions energy: -1026.851
where: short stacking energy: -435.099
Base-Backbone interact. energy: 1.102
local terms energy: -531.903913
where:
bonds (distance) C4'-P energy: -107.142
bonds (distance) P-C4' energy: -120.129
flat angles C4'-P-C4' energy: -110.274
flat angles P-C4'-P energy: -79.921
tors. eta vs tors. theta energy: -114.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1145.494182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.494182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.494182 (E_RNA)
where:
Base-Base interactions energy: -674.749
where: short stacking energy: -322.764
Base-Backbone interact. energy: -4.163
local terms energy: -466.581781
where:
bonds (distance) C4'-P energy: -108.885
bonds (distance) P-C4' energy: -104.349
flat angles C4'-P-C4' energy: -102.525
flat angles P-C4'-P energy: -82.030
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -976.601895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.601895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.601895 (E_RNA)
where:
Base-Base interactions energy: -555.886
where: short stacking energy: -288.522
Base-Backbone interact. energy: -2.877
local terms energy: -417.838450
where:
bonds (distance) C4'-P energy: -105.743
bonds (distance) P-C4' energy: -105.667
flat angles C4'-P-C4' energy: -102.601
flat angles P-C4'-P energy: -62.781
tors. eta vs tors. theta energy: -41.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -679.935613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.935613 (E_RNA)
where:
Base-Base interactions energy: -324.369
where: short stacking energy: -190.273
Base-Backbone interact. energy: -4.824
local terms energy: -350.743127
where:
bonds (distance) C4'-P energy: -104.280
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -93.005
flat angles P-C4'-P energy: -60.881
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -479.108376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.108376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.108376 (E_RNA)
where:
Base-Base interactions energy: -161.807
where: short stacking energy: -144.571
Base-Backbone interact. energy: 3.738
local terms energy: -321.038652
where:
bonds (distance) C4'-P energy: -94.104
bonds (distance) P-C4' energy: -105.874
flat angles C4'-P-C4' energy: -79.990
flat angles P-C4'-P energy: -55.289
tors. eta vs tors. theta energy: 14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2183.030256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.030256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.030256 (E_RNA)
where:
Base-Base interactions energy: -1527.176
where: short stacking energy: -623.416
Base-Backbone interact. energy: 0.030
local terms energy: -655.884280
where:
bonds (distance) C4'-P energy: -110.386
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -142.242
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -183.475
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: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2053.353917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.353917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.353917 (E_RNA)
where:
Base-Base interactions energy: -1409.848
where: short stacking energy: -603.594
Base-Backbone interact. energy: -1.742
local terms energy: -641.764497
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -109.263
flat angles C4'-P-C4' energy: -130.944
flat angles P-C4'-P energy: -93.927
tors. eta vs tors. theta energy: -190.823
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: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1947.568026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.568026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.568026 (E_RNA)
where:
Base-Base interactions energy: -1321.202
where: short stacking energy: -529.492
Base-Backbone interact. energy: -4.796
local terms energy: -621.570491
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -147.187
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -167.768
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: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1798.306641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.306641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.306641 (E_RNA)
where:
Base-Base interactions energy: -1202.539
where: short stacking energy: -514.644
Base-Backbone interact. energy: 5.057
local terms energy: -600.824710
where:
bonds (distance) C4'-P energy: -107.907
bonds (distance) P-C4' energy: -114.449
flat angles C4'-P-C4' energy: -136.252
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -159.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1743.029194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.029194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.029194 (E_RNA)
where:
Base-Base interactions energy: -1170.357
where: short stacking energy: -495.691
Base-Backbone interact. energy: -3.215
local terms energy: -569.457143
where:
bonds (distance) C4'-P energy: -96.069
bonds (distance) P-C4' energy: -128.107
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -149.616
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1564.808284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.808284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.808284 (E_RNA)
where:
Base-Base interactions energy: -1015.132
where: short stacking energy: -452.418
Base-Backbone interact. energy: -3.148
local terms energy: -546.528133
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -111.358
flat angles P-C4'-P energy: -64.483
tors. eta vs tors. theta energy: -135.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1127.760365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.760365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.760365 (E_RNA)
where:
Base-Base interactions energy: -677.521
where: short stacking energy: -321.465
Base-Backbone interact. energy: -2.339
local terms energy: -447.900330
where:
bonds (distance) C4'-P energy: -88.578
bonds (distance) P-C4' energy: -96.154
flat angles C4'-P-C4' energy: -110.455
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -69.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -961.454364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.454364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.454364 (E_RNA)
where:
Base-Base interactions energy: -565.259
where: short stacking energy: -284.487
Base-Backbone interact. energy: -0.584
local terms energy: -395.611543
where:
bonds (distance) C4'-P energy: -96.052
bonds (distance) P-C4' energy: -105.968
flat angles C4'-P-C4' energy: -92.951
flat angles P-C4'-P energy: -58.821
tors. eta vs tors. theta energy: -41.819
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: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -674.945582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.945582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.945582 (E_RNA)
where:
Base-Base interactions energy: -337.231
where: short stacking energy: -190.223
Base-Backbone interact. energy: -3.159
local terms energy: -334.555321
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -99.965
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -49.898
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: 386
Temperature: 1.350000
Total energy: -469.959225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.959225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.959225 (E_RNA)
where:
Base-Base interactions energy: -185.425
where: short stacking energy: -144.436
Base-Backbone interact. energy: -2.097
local terms energy: -282.436956
where:
bonds (distance) C4'-P energy: -101.890
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: 17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2169.821572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.821572 (E_RNA)
where:
Base-Base interactions energy: -1495.732
where: short stacking energy: -594.506
Base-Backbone interact. energy: -1.857
local terms energy: -672.232259
where:
bonds (distance) C4'-P energy: -125.228
bonds (distance) P-C4' energy: -136.657
flat angles C4'-P-C4' energy: -138.198
flat angles P-C4'-P energy: -84.284
tors. eta vs tors. theta energy: -187.865
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2037.852459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.852459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.852459 (E_RNA)
where:
Base-Base interactions energy: -1402.590
where: short stacking energy: -575.269
Base-Backbone interact. energy: -3.304
local terms energy: -631.958214
where:
bonds (distance) C4'-P energy: -109.707
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -135.832
flat angles P-C4'-P energy: -92.198
tors. eta vs tors. theta energy: -188.681
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: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1974.329781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.329781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.329781 (E_RNA)
where:
Base-Base interactions energy: -1375.225
where: short stacking energy: -557.347
Base-Backbone interact. energy: -2.248
local terms energy: -596.856560
where:
bonds (distance) C4'-P energy: -109.334
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -122.425
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -173.735
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1813.710456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.710456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.710456 (E_RNA)
where:
Base-Base interactions energy: -1219.495
where: short stacking energy: -533.199
Base-Backbone interact. energy: 5.583
local terms energy: -599.797754
where:
bonds (distance) C4'-P energy: -100.152
bonds (distance) P-C4' energy: -111.995
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -92.715
tors. eta vs tors. theta energy: -170.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1679.077858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.077858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.077858 (E_RNA)
where:
Base-Base interactions energy: -1108.146
where: short stacking energy: -468.340
Base-Backbone interact. energy: -3.885
local terms energy: -567.046981
where:
bonds (distance) C4'-P energy: -130.657
bonds (distance) P-C4' energy: -110.727
flat angles C4'-P-C4' energy: -114.332
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -134.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1503.521977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.521977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.521977 (E_RNA)
where:
Base-Base interactions energy: -1002.188
where: short stacking energy: -415.075
Base-Backbone interact. energy: 1.995
local terms energy: -503.328389
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -116.653
flat angles C4'-P-C4' energy: -108.762
flat angles P-C4'-P energy: -66.241
tors. eta vs tors. theta energy: -109.755
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1150.898592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.898592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.898592 (E_RNA)
where:
Base-Base interactions energy: -702.485
where: short stacking energy: -338.208
Base-Backbone interact. energy: -3.531
local terms energy: -444.882812
where:
bonds (distance) C4'-P energy: -84.230
bonds (distance) P-C4' energy: -117.431
flat angles C4'-P-C4' energy: -98.441
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -71.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -934.237723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.237723 (E_RNA)
where:
Base-Base interactions energy: -522.215
where: short stacking energy: -246.523
Base-Backbone interact. energy: -1.236
local terms energy: -410.786532
where:
bonds (distance) C4'-P energy: -87.742
bonds (distance) P-C4' energy: -107.650
flat angles C4'-P-C4' energy: -102.210
flat angles P-C4'-P energy: -76.883
tors. eta vs tors. theta energy: -36.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -697.139160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.139160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.139160 (E_RNA)
where:
Base-Base interactions energy: -345.860
where: short stacking energy: -197.589
Base-Backbone interact. energy: -1.598
local terms energy: -349.680485
where:
bonds (distance) C4'-P energy: -104.303
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -90.742
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -490.604087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.604087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.604087 (E_RNA)
where:
Base-Base interactions energy: -168.464
where: short stacking energy: -125.007
Base-Backbone interact. energy: -0.954
local terms energy: -321.186218
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -108.602
flat angles C4'-P-C4' energy: -91.015
flat angles P-C4'-P energy: -53.748
tors. eta vs tors. theta energy: 25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2174.549920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.549920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.549920 (E_RNA)
where:
Base-Base interactions energy: -1493.354
where: short stacking energy: -590.874
Base-Backbone interact. energy: -3.757
local terms energy: -677.439574
where:
bonds (distance) C4'-P energy: -132.052
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -98.532
tors. eta vs tors. theta energy: -187.951
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2039.232416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.232416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.232416 (E_RNA)
where:
Base-Base interactions energy: -1422.211
where: short stacking energy: -594.643
Base-Backbone interact. energy: -4.824
local terms energy: -612.196775
where:
bonds (distance) C4'-P energy: -101.555
bonds (distance) P-C4' energy: -113.809
flat angles C4'-P-C4' energy: -126.358
flat angles P-C4'-P energy: -86.643
tors. eta vs tors. theta energy: -183.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1948.178878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.178878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.178878 (E_RNA)
where:
Base-Base interactions energy: -1335.329
where: short stacking energy: -551.823
Base-Backbone interact. energy: -0.041
local terms energy: -612.809249
where:
bonds (distance) C4'-P energy: -114.069
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -125.709
flat angles P-C4'-P energy: -95.612
tors. eta vs tors. theta energy: -164.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1765.702413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.702413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.702413 (E_RNA)
where:
Base-Base interactions energy: -1196.942
where: short stacking energy: -510.037
Base-Backbone interact. energy: -2.743
local terms energy: -566.018106
where:
bonds (distance) C4'-P energy: -101.189
bonds (distance) P-C4' energy: -111.740
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -82.797
tors. eta vs tors. theta energy: -149.196
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1729.621390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.621390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.621390 (E_RNA)
where:
Base-Base interactions energy: -1177.864
where: short stacking energy: -502.743
Base-Backbone interact. energy: -1.272
local terms energy: -550.485364
where:
bonds (distance) C4'-P energy: -91.327
bonds (distance) P-C4' energy: -107.576
flat angles C4'-P-C4' energy: -114.222
flat angles P-C4'-P energy: -76.222
tors. eta vs tors. theta energy: -161.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1600.821444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.821444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.821444 (E_RNA)
where:
Base-Base interactions energy: -1066.607
where: short stacking energy: -459.644
Base-Backbone interact. energy: 0.793
local terms energy: -535.008053
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -112.506
flat angles C4'-P-C4' energy: -109.937
flat angles P-C4'-P energy: -81.601
tors. eta vs tors. theta energy: -126.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1200.070850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.070850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.070850 (E_RNA)
where:
Base-Base interactions energy: -748.140
where: short stacking energy: -342.321
Base-Backbone interact. energy: -0.785
local terms energy: -451.145987
where:
bonds (distance) C4'-P energy: -106.325
bonds (distance) P-C4' energy: -106.614
flat angles C4'-P-C4' energy: -101.302
flat angles P-C4'-P energy: -71.163
tors. eta vs tors. theta energy: -65.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -964.637528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.637528 (E_RNA)
where:
Base-Base interactions energy: -557.814
where: short stacking energy: -273.455
Base-Backbone interact. energy: 3.626
local terms energy: -410.449796
where:
bonds (distance) C4'-P energy: -107.063
bonds (distance) P-C4' energy: -101.537
flat angles C4'-P-C4' energy: -99.288
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -674.623124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.623124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.623124 (E_RNA)
where:
Base-Base interactions energy: -313.605
where: short stacking energy: -162.679
Base-Backbone interact. energy: -1.441
local terms energy: -359.577551
where:
bonds (distance) C4'-P energy: -109.443
bonds (distance) P-C4' energy: -110.855
flat angles C4'-P-C4' energy: -85.642
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: 2.172
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: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -445.852562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.852562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.852562 (E_RNA)
where:
Base-Base interactions energy: -157.107
where: short stacking energy: -138.905
Base-Backbone interact. energy: 2.226
local terms energy: -290.971788
where:
bonds (distance) C4'-P energy: -86.789
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -77.513
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: 25.012
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: 389
Temperature: 0.900000
Total energy: -2183.491137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.491137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.491137 (E_RNA)
where:
Base-Base interactions energy: -1520.955
where: short stacking energy: -608.266
Base-Backbone interact. energy: -3.728
local terms energy: -658.808397
where:
bonds (distance) C4'-P energy: -116.243
bonds (distance) P-C4' energy: -114.784
flat angles C4'-P-C4' energy: -148.354
flat angles P-C4'-P energy: -98.103
tors. eta vs tors. theta energy: -181.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2055.726562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.726562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.726562 (E_RNA)
where:
Base-Base interactions energy: -1400.213
where: short stacking energy: -583.182
Base-Backbone interact. energy: -5.767
local terms energy: -649.745952
where:
bonds (distance) C4'-P energy: -132.738
bonds (distance) P-C4' energy: -118.798
flat angles C4'-P-C4' energy: -123.422
flat angles P-C4'-P energy: -93.364
tors. eta vs tors. theta energy: -181.424
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1993.859889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.859889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.859889 (E_RNA)
where:
Base-Base interactions energy: -1402.233
where: short stacking energy: -586.306
Base-Backbone interact. energy: 0.670
local terms energy: -592.297511
where:
bonds (distance) C4'-P energy: -113.781
bonds (distance) P-C4' energy: -100.153
flat angles C4'-P-C4' energy: -131.848
flat angles P-C4'-P energy: -75.826
tors. eta vs tors. theta energy: -170.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1801.079833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.079833 (E_RNA)
where:
Base-Base interactions energy: -1198.747
where: short stacking energy: -519.183
Base-Backbone interact. energy: -4.655
local terms energy: -597.678179
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -117.854
flat angles C4'-P-C4' energy: -134.450
flat angles P-C4'-P energy: -84.804
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: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1750.221603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.221603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.221603 (E_RNA)
where:
Base-Base interactions energy: -1169.398
where: short stacking energy: -494.714
Base-Backbone interact. energy: -2.158
local terms energy: -578.666041
where:
bonds (distance) C4'-P energy: -108.105
bonds (distance) P-C4' energy: -130.802
flat angles C4'-P-C4' energy: -114.661
flat angles P-C4'-P energy: -83.071
tors. eta vs tors. theta energy: -142.027
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: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1534.704538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.704538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.704538 (E_RNA)
where:
Base-Base interactions energy: -1037.161
where: short stacking energy: -419.058
Base-Backbone interact. energy: 0.216
local terms energy: -497.760220
where:
bonds (distance) C4'-P energy: -110.612
bonds (distance) P-C4' energy: -96.180
flat angles C4'-P-C4' energy: -97.698
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -118.894
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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1271.331017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.331017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.331017 (E_RNA)
where:
Base-Base interactions energy: -795.453
where: short stacking energy: -363.614
Base-Backbone interact. energy: -1.412
local terms energy: -474.465507
where:
bonds (distance) C4'-P energy: -100.678
bonds (distance) P-C4' energy: -115.071
flat angles C4'-P-C4' energy: -100.036
flat angles P-C4'-P energy: -79.659
tors. eta vs tors. theta energy: -79.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -953.724504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.724504 (E_RNA)
where:
Base-Base interactions energy: -574.166
where: short stacking energy: -278.332
Base-Backbone interact. energy: 1.360
local terms energy: -380.919027
where:
bonds (distance) C4'-P energy: -96.521
bonds (distance) P-C4' energy: -110.535
flat angles C4'-P-C4' energy: -86.330
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -34.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -694.821357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.821357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.821357 (E_RNA)
where:
Base-Base interactions energy: -362.298
where: short stacking energy: -208.873
Base-Backbone interact. energy: 3.056
local terms energy: -335.579095
where:
bonds (distance) C4'-P energy: -86.296
bonds (distance) P-C4' energy: -97.013
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -72.151
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -478.443228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.443228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.443228 (E_RNA)
where:
Base-Base interactions energy: -169.458
where: short stacking energy: -118.531
Base-Backbone interact. energy: -0.266
local terms energy: -308.719750
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -110.605
flat angles C4'-P-C4' energy: -66.065
flat angles P-C4'-P energy: -53.073
tors. eta vs tors. theta energy: 23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2180.325877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.325877 (E_RNA)
where:
Base-Base interactions energy: -1515.812
where: short stacking energy: -611.389
Base-Backbone interact. energy: -2.180
local terms energy: -662.333307
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -121.791
flat angles C4'-P-C4' energy: -132.108
flat angles P-C4'-P energy: -99.491
tors. eta vs tors. theta energy: -186.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2068.801545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.801545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.801545 (E_RNA)
where:
Base-Base interactions energy: -1428.864
where: short stacking energy: -590.038
Base-Backbone interact. energy: 4.720
local terms energy: -644.656988
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -110.072
flat angles C4'-P-C4' energy: -140.662
flat angles P-C4'-P energy: -101.873
tors. eta vs tors. theta energy: -180.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1970.233800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.233800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.233800 (E_RNA)
where:
Base-Base interactions energy: -1356.028
where: short stacking energy: -573.301
Base-Backbone interact. energy: -3.943
local terms energy: -610.262400
where:
bonds (distance) C4'-P energy: -102.137
bonds (distance) P-C4' energy: -113.916
flat angles C4'-P-C4' energy: -124.642
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -186.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1796.836445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.836445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.836445 (E_RNA)
where:
Base-Base interactions energy: -1196.151
where: short stacking energy: -521.762
Base-Backbone interact. energy: 4.146
local terms energy: -604.831754
where:
bonds (distance) C4'-P energy: -119.952
bonds (distance) P-C4' energy: -106.891
flat angles C4'-P-C4' energy: -133.798
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -160.985
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: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1737.138245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.138245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.138245 (E_RNA)
where:
Base-Base interactions energy: -1170.496
where: short stacking energy: -503.634
Base-Backbone interact. energy: -3.454
local terms energy: -563.188723
where:
bonds (distance) C4'-P energy: -95.382
bonds (distance) P-C4' energy: -118.953
flat angles C4'-P-C4' energy: -123.273
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -141.292
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: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1498.743430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.743430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.743430 (E_RNA)
where:
Base-Base interactions energy: -967.995
where: short stacking energy: -395.067
Base-Backbone interact. energy: -0.106
local terms energy: -530.642375
where:
bonds (distance) C4'-P energy: -111.220
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -120.352
flat angles P-C4'-P energy: -83.813
tors. eta vs tors. theta energy: -102.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1308.261436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.261436 (E_RNA)
where:
Base-Base interactions energy: -813.482
where: short stacking energy: -345.259
Base-Backbone interact. energy: -1.541
local terms energy: -493.238572
where:
bonds (distance) C4'-P energy: -115.549
bonds (distance) P-C4' energy: -117.528
flat angles C4'-P-C4' energy: -94.136
flat angles P-C4'-P energy: -73.430
tors. eta vs tors. theta energy: -92.596
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: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -901.531296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.531296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.531296 (E_RNA)
where:
Base-Base interactions energy: -493.803
where: short stacking energy: -261.089
Base-Backbone interact. energy: -2.015
local terms energy: -405.713589
where:
bonds (distance) C4'-P energy: -103.221
bonds (distance) P-C4' energy: -114.940
flat angles C4'-P-C4' energy: -80.183
flat angles P-C4'-P energy: -62.932
tors. eta vs tors. theta energy: -44.438
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: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -704.507829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.507829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.507829 (E_RNA)
where:
Base-Base interactions energy: -352.058
where: short stacking energy: -187.154
Base-Backbone interact. energy: -2.522
local terms energy: -349.927783
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -117.429
flat angles C4'-P-C4' energy: -83.920
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -503.076931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.076931 (E_RNA)
where:
Base-Base interactions energy: -168.721
where: short stacking energy: -120.271
Base-Backbone interact. energy: 0.705
local terms energy: -335.060152
where:
bonds (distance) C4'-P energy: -101.142
bonds (distance) P-C4' energy: -111.263
flat angles C4'-P-C4' energy: -91.036
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: 15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2158.814134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.814134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.814134 (E_RNA)
where:
Base-Base interactions energy: -1496.293
where: short stacking energy: -617.049
Base-Backbone interact. energy: -0.639
local terms energy: -661.881986
where:
bonds (distance) C4'-P energy: -129.047
bonds (distance) P-C4' energy: -118.347
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -86.140
tors. eta vs tors. theta energy: -184.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2035.304890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.304890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.304890 (E_RNA)
where:
Base-Base interactions energy: -1412.104
where: short stacking energy: -593.758
Base-Backbone interact. energy: -1.195
local terms energy: -622.005834
where:
bonds (distance) C4'-P energy: -105.351
bonds (distance) P-C4' energy: -128.393
flat angles C4'-P-C4' energy: -130.824
flat angles P-C4'-P energy: -83.043
tors. eta vs tors. theta energy: -174.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1965.018770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.018770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.018770 (E_RNA)
where:
Base-Base interactions energy: -1337.239
where: short stacking energy: -577.156
Base-Backbone interact. energy: -4.405
local terms energy: -623.374921
where:
bonds (distance) C4'-P energy: -113.735
bonds (distance) P-C4' energy: -123.683
flat angles C4'-P-C4' energy: -120.565
flat angles P-C4'-P energy: -85.454
tors. eta vs tors. theta energy: -179.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1800.581413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.581413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.581413 (E_RNA)
where:
Base-Base interactions energy: -1192.847
where: short stacking energy: -522.380
Base-Backbone interact. energy: -3.689
local terms energy: -604.045206
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -113.452
flat angles C4'-P-C4' energy: -127.242
flat angles P-C4'-P energy: -86.886
tors. eta vs tors. theta energy: -166.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1745.762565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.762565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.762565 (E_RNA)
where:
Base-Base interactions energy: -1210.052
where: short stacking energy: -498.791
Base-Backbone interact. energy: 1.102
local terms energy: -536.812651
where:
bonds (distance) C4'-P energy: -104.583
bonds (distance) P-C4' energy: -100.902
flat angles C4'-P-C4' energy: -112.388
flat angles P-C4'-P energy: -79.717
tors. eta vs tors. theta energy: -139.223
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1517.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.983452 (E_RNA)
where:
Base-Base interactions energy: -1007.495
where: short stacking energy: -427.877
Base-Backbone interact. energy: 0.334
local terms energy: -510.822266
where:
bonds (distance) C4'-P energy: -100.028
bonds (distance) P-C4' energy: -114.264
flat angles C4'-P-C4' energy: -113.126
flat angles P-C4'-P energy: -77.568
tors. eta vs tors. theta energy: -105.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1340.415546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.415546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.415546 (E_RNA)
where:
Base-Base interactions energy: -873.781
where: short stacking energy: -390.246
Base-Backbone interact. energy: -2.196
local terms energy: -464.438182
where:
bonds (distance) C4'-P energy: -92.094
bonds (distance) P-C4' energy: -101.517
flat angles C4'-P-C4' energy: -88.826
flat angles P-C4'-P energy: -77.726
tors. eta vs tors. theta energy: -104.275
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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -916.656879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.656879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.656879 (E_RNA)
where:
Base-Base interactions energy: -564.818
where: short stacking energy: -276.869
Base-Backbone interact. energy: -2.144
local terms energy: -349.694769
where:
bonds (distance) C4'-P energy: -81.187
bonds (distance) P-C4' energy: -96.083
flat angles C4'-P-C4' energy: -97.939
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -29.086
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: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -691.578192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.578192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.578192 (E_RNA)
where:
Base-Base interactions energy: -342.578
where: short stacking energy: -212.981
Base-Backbone interact. energy: 4.448
local terms energy: -353.448562
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -98.014
flat angles C4'-P-C4' energy: -106.814
flat angles P-C4'-P energy: -41.522
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -455.458941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.458941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.458941 (E_RNA)
where:
Base-Base interactions energy: -144.548
where: short stacking energy: -129.674
Base-Backbone interact. energy: -2.155
local terms energy: -308.755943
where:
bonds (distance) C4'-P energy: -105.867
bonds (distance) P-C4' energy: -94.948
flat angles C4'-P-C4' energy: -85.969
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: 19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2210.032200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.032200 (E_RNA)
where:
Base-Base interactions energy: -1550.320
where: short stacking energy: -629.260
Base-Backbone interact. energy: 1.728
local terms energy: -661.440235
where:
bonds (distance) C4'-P energy: -129.598
bonds (distance) P-C4' energy: -123.782
flat angles C4'-P-C4' energy: -124.852
flat angles P-C4'-P energy: -88.011
tors. eta vs tors. theta energy: -195.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2020.022066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.022066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.022066 (E_RNA)
where:
Base-Base interactions energy: -1373.098
where: short stacking energy: -571.744
Base-Backbone interact. energy: 0.297
local terms energy: -647.221559
where:
bonds (distance) C4'-P energy: -119.142
bonds (distance) P-C4' energy: -120.079
flat angles C4'-P-C4' energy: -139.723
flat angles P-C4'-P energy: -92.918
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1978.942550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.942550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.942550 (E_RNA)
where:
Base-Base interactions energy: -1336.389
where: short stacking energy: -558.043
Base-Backbone interact. energy: -3.026
local terms energy: -639.527347
where:
bonds (distance) C4'-P energy: -115.444
bonds (distance) P-C4' energy: -121.951
flat angles C4'-P-C4' energy: -138.208
flat angles P-C4'-P energy: -78.947
tors. eta vs tors. theta energy: -184.978
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: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1818.450879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.450879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.450879 (E_RNA)
where:
Base-Base interactions energy: -1224.851
where: short stacking energy: -538.273
Base-Backbone interact. energy: -1.068
local terms energy: -592.531735
where:
bonds (distance) C4'-P energy: -101.356
bonds (distance) P-C4' energy: -120.629
flat angles C4'-P-C4' energy: -133.147
flat angles P-C4'-P energy: -70.204
tors. eta vs tors. theta energy: -167.196
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: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1788.348471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.348471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.348471 (E_RNA)
where:
Base-Base interactions energy: -1218.647
where: short stacking energy: -500.414
Base-Backbone interact. energy: -2.131
local terms energy: -567.569901
where:
bonds (distance) C4'-P energy: -106.802
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -123.373
flat angles P-C4'-P energy: -56.574
tors. eta vs tors. theta energy: -169.179
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: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1566.811911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.811911 (E_RNA)
where:
Base-Base interactions energy: -1056.151
where: short stacking energy: -443.273
Base-Backbone interact. energy: -0.322
local terms energy: -510.338718
where:
bonds (distance) C4'-P energy: -105.579
bonds (distance) P-C4' energy: -112.316
flat angles C4'-P-C4' energy: -113.672
flat angles P-C4'-P energy: -66.763
tors. eta vs tors. theta energy: -112.010
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1352.352525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.352525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.352525 (E_RNA)
where:
Base-Base interactions energy: -852.658
where: short stacking energy: -386.030
Base-Backbone interact. energy: -0.859
local terms energy: -498.836051
where:
bonds (distance) C4'-P energy: -117.173
bonds (distance) P-C4' energy: -97.134
flat angles C4'-P-C4' energy: -121.543
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -98.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -953.148842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.148842 (E_RNA)
where:
Base-Base interactions energy: -544.172
where: short stacking energy: -247.016
Base-Backbone interact. energy: 0.025
local terms energy: -409.002532
where:
bonds (distance) C4'-P energy: -87.716
bonds (distance) P-C4' energy: -112.774
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -41.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -686.238540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.238540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.238540 (E_RNA)
where:
Base-Base interactions energy: -340.151
where: short stacking energy: -181.005
Base-Backbone interact. energy: -1.524
local terms energy: -344.563551
where:
bonds (distance) C4'-P energy: -107.243
bonds (distance) P-C4' energy: -96.425
flat angles C4'-P-C4' energy: -80.389
flat angles P-C4'-P energy: -63.581
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: 392
Temperature: 1.350000
Total energy: -473.475187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.475187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.475187 (E_RNA)
where:
Base-Base interactions energy: -177.178
where: short stacking energy: -155.372
Base-Backbone interact. energy: -0.240
local terms energy: -296.056479
where:
bonds (distance) C4'-P energy: -104.325
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -80.931
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: 24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2211.652164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.652164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.652164 (E_RNA)
where:
Base-Base interactions energy: -1538.522
where: short stacking energy: -610.236
Base-Backbone interact. energy: -1.672
local terms energy: -671.458562
where:
bonds (distance) C4'-P energy: -130.557
bonds (distance) P-C4' energy: -130.458
flat angles C4'-P-C4' energy: -136.716
flat angles P-C4'-P energy: -93.549
tors. eta vs tors. theta energy: -180.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2050.595539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.595539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.595539 (E_RNA)
where:
Base-Base interactions energy: -1393.558
where: short stacking energy: -584.398
Base-Backbone interact. energy: 1.016
local terms energy: -658.052597
where:
bonds (distance) C4'-P energy: -121.025
bonds (distance) P-C4' energy: -119.251
flat angles C4'-P-C4' energy: -142.155
flat angles P-C4'-P energy: -81.587
tors. eta vs tors. theta energy: -194.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1971.688431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.688431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.688431 (E_RNA)
where:
Base-Base interactions energy: -1340.067
where: short stacking energy: -576.915
Base-Backbone interact. energy: -3.323
local terms energy: -628.298597
where:
bonds (distance) C4'-P energy: -115.572
bonds (distance) P-C4' energy: -120.176
flat angles C4'-P-C4' energy: -139.807
flat angles P-C4'-P energy: -90.988
tors. eta vs tors. theta energy: -161.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1772.579944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.579944 (E_RNA)
where:
Base-Base interactions energy: -1182.376
where: short stacking energy: -533.686
Base-Backbone interact. energy: -1.174
local terms energy: -589.029972
where:
bonds (distance) C4'-P energy: -112.415
bonds (distance) P-C4' energy: -110.800
flat angles C4'-P-C4' energy: -108.717
flat angles P-C4'-P energy: -86.953
tors. eta vs tors. theta energy: -170.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1767.721603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.721603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.721603 (E_RNA)
where:
Base-Base interactions energy: -1203.922
where: short stacking energy: -508.981
Base-Backbone interact. energy: -2.304
local terms energy: -561.495918
where:
bonds (distance) C4'-P energy: -101.546
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -121.980
flat angles P-C4'-P energy: -67.334
tors. eta vs tors. theta energy: -152.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1652.623335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.623335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.623335 (E_RNA)
where:
Base-Base interactions energy: -1141.674
where: short stacking energy: -488.970
Base-Backbone interact. energy: 0.144
local terms energy: -511.092859
where:
bonds (distance) C4'-P energy: -105.083
bonds (distance) P-C4' energy: -94.197
flat angles C4'-P-C4' energy: -114.510
flat angles P-C4'-P energy: -65.073
tors. eta vs tors. theta energy: -132.230
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: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1270.498540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.498540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.498540 (E_RNA)
where:
Base-Base interactions energy: -819.473
where: short stacking energy: -374.031
Base-Backbone interact. energy: -2.394
local terms energy: -448.630782
where:
bonds (distance) C4'-P energy: -101.638
bonds (distance) P-C4' energy: -95.405
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -82.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -928.615257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.615257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.615257 (E_RNA)
where:
Base-Base interactions energy: -514.604
where: short stacking energy: -251.942
Base-Backbone interact. energy: 2.635
local terms energy: -416.645990
where:
bonds (distance) C4'-P energy: -85.999
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -98.519
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -32.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -626.608313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.608313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.608313 (E_RNA)
where:
Base-Base interactions energy: -294.004
where: short stacking energy: -180.356
Base-Backbone interact. energy: 4.837
local terms energy: -337.441168
where:
bonds (distance) C4'-P energy: -104.009
bonds (distance) P-C4' energy: -110.122
flat angles C4'-P-C4' energy: -76.573
flat angles P-C4'-P energy: -51.254
tors. eta vs tors. theta energy: 4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -451.693508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.693508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.693508 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -134.460
Base-Backbone interact. energy: -1.473
local terms energy: -301.156090
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -110.369
flat angles C4'-P-C4' energy: -84.071
flat angles P-C4'-P energy: -54.093
tors. eta vs tors. theta energy: 33.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2182.805576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.805576 (E_RNA)
where:
Base-Base interactions energy: -1525.815
where: short stacking energy: -616.795
Base-Backbone interact. energy: 3.239
local terms energy: -660.230113
where:
bonds (distance) C4'-P energy: -128.712
bonds (distance) P-C4' energy: -114.501
flat angles C4'-P-C4' energy: -138.349
flat angles P-C4'-P energy: -95.198
tors. eta vs tors. theta energy: -183.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2066.192502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.192502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.192502 (E_RNA)
where:
Base-Base interactions energy: -1426.894
where: short stacking energy: -606.239
Base-Backbone interact. energy: -1.754
local terms energy: -637.544370
where:
bonds (distance) C4'-P energy: -90.393
bonds (distance) P-C4' energy: -122.486
flat angles C4'-P-C4' energy: -151.913
flat angles P-C4'-P energy: -92.539
tors. eta vs tors. theta energy: -180.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1971.800419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.800419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.800419 (E_RNA)
where:
Base-Base interactions energy: -1348.815
where: short stacking energy: -569.160
Base-Backbone interact. energy: -2.013
local terms energy: -620.972706
where:
bonds (distance) C4'-P energy: -122.059
bonds (distance) P-C4' energy: -106.707
flat angles C4'-P-C4' energy: -137.359
flat angles P-C4'-P energy: -82.773
tors. eta vs tors. theta energy: -172.075
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: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1827.011724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.011724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.011724 (E_RNA)
where:
Base-Base interactions energy: -1224.639
where: short stacking energy: -526.024
Base-Backbone interact. energy: 4.098
local terms energy: -606.470031
where:
bonds (distance) C4'-P energy: -122.321
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -134.243
flat angles P-C4'-P energy: -88.203
tors. eta vs tors. theta energy: -154.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1746.867846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.867846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.867846 (E_RNA)
where:
Base-Base interactions energy: -1176.277
where: short stacking energy: -494.478
Base-Backbone interact. energy: -2.130
local terms energy: -568.461169
where:
bonds (distance) C4'-P energy: -103.595
bonds (distance) P-C4' energy: -121.421
flat angles C4'-P-C4' energy: -119.677
flat angles P-C4'-P energy: -79.209
tors. eta vs tors. theta energy: -144.559
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1586.294490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.294490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.294490 (E_RNA)
where:
Base-Base interactions energy: -1031.265
where: short stacking energy: -439.803
Base-Backbone interact. energy: -2.358
local terms energy: -552.672136
where:
bonds (distance) C4'-P energy: -127.805
bonds (distance) P-C4' energy: -109.203
flat angles C4'-P-C4' energy: -121.324
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -120.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1280.783348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.783348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.783348 (E_RNA)
where:
Base-Base interactions energy: -811.308
where: short stacking energy: -362.338
Base-Backbone interact. energy: -0.201
local terms energy: -469.274547
where:
bonds (distance) C4'-P energy: -104.538
bonds (distance) P-C4' energy: -103.333
flat angles C4'-P-C4' energy: -107.466
flat angles P-C4'-P energy: -59.872
tors. eta vs tors. theta energy: -94.065
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: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -906.031234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.031234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.031234 (E_RNA)
where:
Base-Base interactions energy: -534.411
where: short stacking energy: -248.073
Base-Backbone interact. energy: -0.810
local terms energy: -370.810349
where:
bonds (distance) C4'-P energy: -95.380
bonds (distance) P-C4' energy: -102.838
flat angles C4'-P-C4' energy: -86.698
flat angles P-C4'-P energy: -61.322
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -598.981738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.981738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.981738 (E_RNA)
where:
Base-Base interactions energy: -261.644
where: short stacking energy: -178.402
Base-Backbone interact. energy: -2.153
local terms energy: -335.184910
where:
bonds (distance) C4'-P energy: -74.621
bonds (distance) P-C4' energy: -95.050
flat angles C4'-P-C4' energy: -95.408
flat angles P-C4'-P energy: -69.888
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -490.974957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.974957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.974957 (E_RNA)
where:
Base-Base interactions energy: -173.531
where: short stacking energy: -152.692
Base-Backbone interact. energy: 1.770
local terms energy: -319.213731
where:
bonds (distance) C4'-P energy: -99.919
bonds (distance) P-C4' energy: -95.388
flat angles C4'-P-C4' energy: -82.332
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: 25.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2181.488940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.488940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.488940 (E_RNA)
where:
Base-Base interactions energy: -1501.384
where: short stacking energy: -604.500
Base-Backbone interact. energy: -1.460
local terms energy: -678.645016
where:
bonds (distance) C4'-P energy: -132.103
bonds (distance) P-C4' energy: -130.571
flat angles C4'-P-C4' energy: -137.535
flat angles P-C4'-P energy: -92.449
tors. eta vs tors. theta energy: -185.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2053.777686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.777686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.777686 (E_RNA)
where:
Base-Base interactions energy: -1421.826
where: short stacking energy: -602.025
Base-Backbone interact. energy: -3.311
local terms energy: -628.640299
where:
bonds (distance) C4'-P energy: -109.108
bonds (distance) P-C4' energy: -111.902
flat angles C4'-P-C4' energy: -127.678
flat angles P-C4'-P energy: -91.478
tors. eta vs tors. theta energy: -188.474
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: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2009.251191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.251191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.251191 (E_RNA)
where:
Base-Base interactions energy: -1383.727
where: short stacking energy: -565.684
Base-Backbone interact. energy: -2.292
local terms energy: -623.231941
where:
bonds (distance) C4'-P energy: -108.185
bonds (distance) P-C4' energy: -114.058
flat angles C4'-P-C4' energy: -129.362
flat angles P-C4'-P energy: -85.237
tors. eta vs tors. theta energy: -186.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1823.243411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.243411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.243411 (E_RNA)
where:
Base-Base interactions energy: -1243.482
where: short stacking energy: -526.428
Base-Backbone interact. energy: 4.687
local terms energy: -584.448249
where:
bonds (distance) C4'-P energy: -112.995
bonds (distance) P-C4' energy: -108.543
flat angles C4'-P-C4' energy: -117.651
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -156.297
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: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1732.734035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.734035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.734035 (E_RNA)
where:
Base-Base interactions energy: -1169.825
where: short stacking energy: -471.815
Base-Backbone interact. energy: -2.751
local terms energy: -560.158269
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -96.785
flat angles C4'-P-C4' energy: -134.285
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -140.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1493.729971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.729971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.729971 (E_RNA)
where:
Base-Base interactions energy: -978.147
where: short stacking energy: -415.805
Base-Backbone interact. energy: -2.275
local terms energy: -513.308117
where:
bonds (distance) C4'-P energy: -91.200
bonds (distance) P-C4' energy: -120.429
flat angles C4'-P-C4' energy: -115.535
flat angles P-C4'-P energy: -68.066
tors. eta vs tors. theta energy: -118.079
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1265.808552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.808552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.808552 (E_RNA)
where:
Base-Base interactions energy: -817.820
where: short stacking energy: -344.600
Base-Backbone interact. energy: -1.207
local terms energy: -446.781241
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -87.349
flat angles C4'-P-C4' energy: -107.302
flat angles P-C4'-P energy: -74.626
tors. eta vs tors. theta energy: -72.444
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -961.864431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.864431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.864431 (E_RNA)
where:
Base-Base interactions energy: -564.389
where: short stacking energy: -283.308
Base-Backbone interact. energy: -1.608
local terms energy: -395.867524
where:
bonds (distance) C4'-P energy: -98.879
bonds (distance) P-C4' energy: -101.282
flat angles C4'-P-C4' energy: -102.495
flat angles P-C4'-P energy: -47.436
tors. eta vs tors. theta energy: -45.775
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: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -595.990629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.990629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.990629 (E_RNA)
where:
Base-Base interactions energy: -271.578
where: short stacking energy: -164.439
Base-Backbone interact. energy: -1.673
local terms energy: -322.739226
where:
bonds (distance) C4'-P energy: -85.949
bonds (distance) P-C4' energy: -102.100
flat angles C4'-P-C4' energy: -100.064
flat angles P-C4'-P energy: -53.486
tors. eta vs tors. theta energy: 18.860
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: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -486.111885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.111885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.111885 (E_RNA)
where:
Base-Base interactions energy: -148.222
where: short stacking energy: -132.678
Base-Backbone interact. energy: 7.478
local terms energy: -345.366953
where:
bonds (distance) C4'-P energy: -116.012
bonds (distance) P-C4' energy: -114.020
flat angles C4'-P-C4' energy: -104.986
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: 26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2163.723055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.723055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.723055 (E_RNA)
where:
Base-Base interactions energy: -1508.187
where: short stacking energy: -620.738
Base-Backbone interact. energy: -0.476
local terms energy: -655.059573
where:
bonds (distance) C4'-P energy: -122.303
bonds (distance) P-C4' energy: -129.035
flat angles C4'-P-C4' energy: -134.126
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -176.919
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: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2081.238815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.238815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.238815 (E_RNA)
where:
Base-Base interactions energy: -1429.421
where: short stacking energy: -609.367
Base-Backbone interact. energy: -2.289
local terms energy: -649.528830
where:
bonds (distance) C4'-P energy: -129.736
bonds (distance) P-C4' energy: -104.154
flat angles C4'-P-C4' energy: -132.763
flat angles P-C4'-P energy: -90.679
tors. eta vs tors. theta energy: -192.197
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: 396
Temperature: 1.000000
Total energy: -2011.520544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.520544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.520544 (E_RNA)
where:
Base-Base interactions energy: -1415.687
where: short stacking energy: -582.233
Base-Backbone interact. energy: -3.459
local terms energy: -592.374493
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -107.184
flat angles C4'-P-C4' energy: -124.154
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: -171.222
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: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1820.354696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.354696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.354696 (E_RNA)
where:
Base-Base interactions energy: -1214.352
where: short stacking energy: -544.153
Base-Backbone interact. energy: -1.320
local terms energy: -604.682585
where:
bonds (distance) C4'-P energy: -124.596
bonds (distance) P-C4' energy: -96.245
flat angles C4'-P-C4' energy: -128.348
flat angles P-C4'-P energy: -87.251
tors. eta vs tors. theta energy: -168.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1729.389281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.389281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.389281 (E_RNA)
where:
Base-Base interactions energy: -1139.794
where: short stacking energy: -484.865
Base-Backbone interact. energy: -2.043
local terms energy: -587.551985
where:
bonds (distance) C4'-P energy: -114.881
bonds (distance) P-C4' energy: -116.988
flat angles C4'-P-C4' energy: -126.022
flat angles P-C4'-P energy: -78.446
tors. eta vs tors. theta energy: -151.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1534.220235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.220235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.220235 (E_RNA)
where:
Base-Base interactions energy: -1024.318
where: short stacking energy: -433.130
Base-Backbone interact. energy: -2.846
local terms energy: -507.056517
where:
bonds (distance) C4'-P energy: -99.774
bonds (distance) P-C4' energy: -113.562
flat angles C4'-P-C4' energy: -98.039
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -116.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1239.743356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.743356 (E_RNA)
where:
Base-Base interactions energy: -782.583
where: short stacking energy: -362.472
Base-Backbone interact. energy: -2.377
local terms energy: -454.783045
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -101.292
flat angles P-C4'-P energy: -63.734
tors. eta vs tors. theta energy: -81.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -925.531265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.531265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.531265 (E_RNA)
where:
Base-Base interactions energy: -522.095
where: short stacking energy: -245.172
Base-Backbone interact. energy: -2.810
local terms energy: -400.626809
where:
bonds (distance) C4'-P energy: -87.902
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -108.750
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -33.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -579.501840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.501840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.501840 (E_RNA)
where:
Base-Base interactions energy: -244.212
where: short stacking energy: -160.542
Base-Backbone interact. energy: -0.743
local terms energy: -334.546972
where:
bonds (distance) C4'-P energy: -93.365
bonds (distance) P-C4' energy: -104.620
flat angles C4'-P-C4' energy: -91.571
flat angles P-C4'-P energy: -59.791
tors. eta vs tors. theta energy: 14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -446.100702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.100702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.100702 (E_RNA)
where:
Base-Base interactions energy: -133.707
where: short stacking energy: -113.898
Base-Backbone interact. energy: 2.995
local terms energy: -315.388521
where:
bonds (distance) C4'-P energy: -103.506
bonds (distance) P-C4' energy: -106.213
flat angles C4'-P-C4' energy: -73.610
flat angles P-C4'-P energy: -57.254
tors. eta vs tors. theta energy: 25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2157.392443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.392443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.392443 (E_RNA)
where:
Base-Base interactions energy: -1500.516
where: short stacking energy: -596.489
Base-Backbone interact. energy: -0.864
local terms energy: -656.012903
where:
bonds (distance) C4'-P energy: -122.789
bonds (distance) P-C4' energy: -130.692
flat angles C4'-P-C4' energy: -133.196
flat angles P-C4'-P energy: -92.207
tors. eta vs tors. theta energy: -177.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2090.857131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.857131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.857131 (E_RNA)
where:
Base-Base interactions energy: -1420.521
where: short stacking energy: -602.885
Base-Backbone interact. energy: -0.994
local terms energy: -669.341895
where:
bonds (distance) C4'-P energy: -113.608
bonds (distance) P-C4' energy: -118.274
flat angles C4'-P-C4' energy: -145.835
flat angles P-C4'-P energy: -105.121
tors. eta vs tors. theta energy: -186.503
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1986.962689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.962689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.962689 (E_RNA)
where:
Base-Base interactions energy: -1372.245
where: short stacking energy: -564.232
Base-Backbone interact. energy: 2.784
local terms energy: -617.501172
where:
bonds (distance) C4'-P energy: -110.230
bonds (distance) P-C4' energy: -125.296
flat angles C4'-P-C4' energy: -132.042
flat angles P-C4'-P energy: -83.170
tors. eta vs tors. theta energy: -166.762
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1759.602091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.602091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.602091 (E_RNA)
where:
Base-Base interactions energy: -1180.202
where: short stacking energy: -510.693
Base-Backbone interact. energy: -0.469
local terms energy: -578.930866
where:
bonds (distance) C4'-P energy: -120.462
bonds (distance) P-C4' energy: -102.324
flat angles C4'-P-C4' energy: -125.090
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -146.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1698.916659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.916659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.916659 (E_RNA)
where:
Base-Base interactions energy: -1146.123
where: short stacking energy: -457.551
Base-Backbone interact. energy: -0.712
local terms energy: -552.082210
where:
bonds (distance) C4'-P energy: -96.265
bonds (distance) P-C4' energy: -121.791
flat angles C4'-P-C4' energy: -125.703
flat angles P-C4'-P energy: -78.130
tors. eta vs tors. theta energy: -130.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1538.135641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.135641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.135641 (E_RNA)
where:
Base-Base interactions energy: -1021.236
where: short stacking energy: -432.052
Base-Backbone interact. energy: 0.870
local terms energy: -517.770006
where:
bonds (distance) C4'-P energy: -101.224
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -125.667
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: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1286.657636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.657636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.657636 (E_RNA)
where:
Base-Base interactions energy: -794.640
where: short stacking energy: -337.830
Base-Backbone interact. energy: 0.151
local terms energy: -492.169446
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -109.117
flat angles P-C4'-P energy: -75.268
tors. eta vs tors. theta energy: -80.617
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: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -953.491816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.491816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.491816 (E_RNA)
where:
Base-Base interactions energy: -521.906
where: short stacking energy: -257.926
Base-Backbone interact. energy: -6.258
local terms energy: -425.328305
where:
bonds (distance) C4'-P energy: -105.453
bonds (distance) P-C4' energy: -106.036
flat angles C4'-P-C4' energy: -102.956
flat angles P-C4'-P energy: -74.838
tors. eta vs tors. theta energy: -36.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -619.901605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.901605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.901605 (E_RNA)
where:
Base-Base interactions energy: -275.029
where: short stacking energy: -164.740
Base-Backbone interact. energy: 2.986
local terms energy: -347.858410
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -103.665
flat angles C4'-P-C4' energy: -95.247
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: 9.357
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: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -470.342276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.342276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.342276 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -124.619
Base-Backbone interact. energy: -0.201
local terms energy: -335.457182
where:
bonds (distance) C4'-P energy: -99.020
bonds (distance) P-C4' energy: -105.564
flat angles C4'-P-C4' energy: -94.063
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: 18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2177.908410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.908410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.908410 (E_RNA)
where:
Base-Base interactions energy: -1496.246
where: short stacking energy: -620.361
Base-Backbone interact. energy: -2.555
local terms energy: -679.108246
where:
bonds (distance) C4'-P energy: -122.398
bonds (distance) P-C4' energy: -138.730
flat angles C4'-P-C4' energy: -139.759
flat angles P-C4'-P energy: -91.088
tors. eta vs tors. theta energy: -187.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2065.180148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.180148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.180148 (E_RNA)
where:
Base-Base interactions energy: -1427.222
where: short stacking energy: -601.144
Base-Backbone interact. energy: -1.473
local terms energy: -636.485338
where:
bonds (distance) C4'-P energy: -104.397
bonds (distance) P-C4' energy: -121.131
flat angles C4'-P-C4' energy: -135.170
flat angles P-C4'-P energy: -93.083
tors. eta vs tors. theta energy: -182.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2010.547713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.547713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.547713 (E_RNA)
where:
Base-Base interactions energy: -1390.731
where: short stacking energy: -580.301
Base-Backbone interact. energy: -2.575
local terms energy: -617.241634
where:
bonds (distance) C4'-P energy: -107.064
bonds (distance) P-C4' energy: -106.057
flat angles C4'-P-C4' energy: -140.291
flat angles P-C4'-P energy: -95.370
tors. eta vs tors. theta energy: -168.460
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: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1779.212343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.212343 (E_RNA)
where:
Base-Base interactions energy: -1166.497
where: short stacking energy: -502.084
Base-Backbone interact. energy: -3.572
local terms energy: -609.143561
where:
bonds (distance) C4'-P energy: -116.882
bonds (distance) P-C4' energy: -119.660
flat angles C4'-P-C4' energy: -133.015
flat angles P-C4'-P energy: -84.650
tors. eta vs tors. theta energy: -154.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1720.914542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.914542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.914542 (E_RNA)
where:
Base-Base interactions energy: -1149.286
where: short stacking energy: -507.116
Base-Backbone interact. energy: 5.769
local terms energy: -577.397071
where:
bonds (distance) C4'-P energy: -106.769
bonds (distance) P-C4' energy: -111.101
flat angles C4'-P-C4' energy: -122.333
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -150.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1559.412736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.412736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.412736 (E_RNA)
where:
Base-Base interactions energy: -1054.027
where: short stacking energy: -452.260
Base-Backbone interact. energy: 0.221
local terms energy: -505.607449
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -88.514
flat angles C4'-P-C4' energy: -119.858
flat angles P-C4'-P energy: -72.382
tors. eta vs tors. theta energy: -123.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1215.400500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.400500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.400500 (E_RNA)
where:
Base-Base interactions energy: -760.044
where: short stacking energy: -356.583
Base-Backbone interact. energy: -0.722
local terms energy: -454.634585
where:
bonds (distance) C4'-P energy: -97.556
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -74.799
tors. eta vs tors. theta energy: -78.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -862.118342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.118342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.118342 (E_RNA)
where:
Base-Base interactions energy: -501.370
where: short stacking energy: -248.112
Base-Backbone interact. energy: 1.844
local terms energy: -362.592920
where:
bonds (distance) C4'-P energy: -91.278
bonds (distance) P-C4' energy: -92.104
flat angles C4'-P-C4' energy: -106.946
flat angles P-C4'-P energy: -65.441
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -601.018005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.018005 (E_RNA)
where:
Base-Base interactions energy: -255.682
where: short stacking energy: -163.567
Base-Backbone interact. energy: -0.277
local terms energy: -345.059026
where:
bonds (distance) C4'-P energy: -102.046
bonds (distance) P-C4' energy: -112.425
flat angles C4'-P-C4' energy: -94.426
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: 10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -475.064264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.064264 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -143.182
Base-Backbone interact. energy: -1.161
local terms energy: -321.359113
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -97.785
flat angles C4'-P-C4' energy: -88.460
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: 11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2191.867094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.867094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.867094 (E_RNA)
where:
Base-Base interactions energy: -1525.913
where: short stacking energy: -619.578
Base-Backbone interact. energy: -1.846
local terms energy: -664.108399
where:
bonds (distance) C4'-P energy: -126.592
bonds (distance) P-C4' energy: -132.425
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -91.157
tors. eta vs tors. theta energy: -182.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2038.425240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.425240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.425240 (E_RNA)
where:
Base-Base interactions energy: -1402.515
where: short stacking energy: -598.199
Base-Backbone interact. energy: -5.102
local terms energy: -630.808176
where:
bonds (distance) C4'-P energy: -119.288
bonds (distance) P-C4' energy: -110.304
flat angles C4'-P-C4' energy: -133.072
flat angles P-C4'-P energy: -88.284
tors. eta vs tors. theta energy: -179.860
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: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1999.907536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.907536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.907536 (E_RNA)
where:
Base-Base interactions energy: -1376.266
where: short stacking energy: -564.030
Base-Backbone interact. energy: 1.204
local terms energy: -624.844578
where:
bonds (distance) C4'-P energy: -112.878
bonds (distance) P-C4' energy: -116.225
flat angles C4'-P-C4' energy: -138.825
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -177.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1743.541123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.541123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.541123 (E_RNA)
where:
Base-Base interactions energy: -1179.220
where: short stacking energy: -508.606
Base-Backbone interact. energy: 0.455
local terms energy: -564.776015
where:
bonds (distance) C4'-P energy: -100.725
bonds (distance) P-C4' energy: -109.979
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -83.113
tors. eta vs tors. theta energy: -141.844
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1669.582723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.582723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.582723 (E_RNA)
where:
Base-Base interactions energy: -1109.213
where: short stacking energy: -469.414
Base-Backbone interact. energy: 0.182
local terms energy: -560.551719
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -114.715
flat angles C4'-P-C4' energy: -130.172
flat angles P-C4'-P energy: -79.124
tors. eta vs tors. theta energy: -137.253
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: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1591.232782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.232782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.232782 (E_RNA)
where:
Base-Base interactions energy: -1042.109
where: short stacking energy: -448.927
Base-Backbone interact. energy: -0.515
local terms energy: -548.609033
where:
bonds (distance) C4'-P energy: -106.275
bonds (distance) P-C4' energy: -120.808
flat angles C4'-P-C4' energy: -122.180
flat angles P-C4'-P energy: -78.281
tors. eta vs tors. theta energy: -121.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1301.060688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.060688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.060688 (E_RNA)
where:
Base-Base interactions energy: -815.780
where: short stacking energy: -359.386
Base-Backbone interact. energy: 0.452
local terms energy: -485.732376
where:
bonds (distance) C4'-P energy: -107.227
bonds (distance) P-C4' energy: -109.189
flat angles C4'-P-C4' energy: -108.809
flat angles P-C4'-P energy: -68.562
tors. eta vs tors. theta energy: -91.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -901.335802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.335802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.335802 (E_RNA)
where:
Base-Base interactions energy: -480.381
where: short stacking energy: -245.088
Base-Backbone interact. energy: -2.496
local terms energy: -418.458236
where:
bonds (distance) C4'-P energy: -84.730
bonds (distance) P-C4' energy: -123.563
flat angles C4'-P-C4' energy: -109.077
flat angles P-C4'-P energy: -71.580
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -593.717380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.717380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.717380 (E_RNA)
where:
Base-Base interactions energy: -250.261
where: short stacking energy: -146.973
Base-Backbone interact. energy: 0.822
local terms energy: -344.279232
where:
bonds (distance) C4'-P energy: -107.128
bonds (distance) P-C4' energy: -95.681
flat angles C4'-P-C4' energy: -91.767
flat angles P-C4'-P energy: -52.466
tors. eta vs tors. theta energy: 2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -498.796819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.796819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.796819 (E_RNA)
where:
Base-Base interactions energy: -188.619
where: short stacking energy: -137.269
Base-Backbone interact. energy: 4.647
local terms energy: -314.824415
where:
bonds (distance) C4'-P energy: -98.424
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -78.968
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: 15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2201.716626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.716626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.716626 (E_RNA)
where:
Base-Base interactions energy: -1545.032
where: short stacking energy: -627.586
Base-Backbone interact. energy: 2.511
local terms energy: -659.195400
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -117.189
flat angles C4'-P-C4' energy: -137.927
flat angles P-C4'-P energy: -103.219
tors. eta vs tors. theta energy: -182.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2059.561656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.561656 (E_RNA)
where:
Base-Base interactions energy: -1405.721
where: short stacking energy: -592.075
Base-Backbone interact. energy: -4.561
local terms energy: -649.280270
where:
bonds (distance) C4'-P energy: -123.991
bonds (distance) P-C4' energy: -127.589
flat angles C4'-P-C4' energy: -132.610
flat angles P-C4'-P energy: -87.172
tors. eta vs tors. theta energy: -177.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2016.829642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.829642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.829642 (E_RNA)
where:
Base-Base interactions energy: -1365.252
where: short stacking energy: -583.777
Base-Backbone interact. energy: -1.745
local terms energy: -649.832783
where:
bonds (distance) C4'-P energy: -116.463
bonds (distance) P-C4' energy: -124.575
flat angles C4'-P-C4' energy: -142.543
flat angles P-C4'-P energy: -90.552
tors. eta vs tors. theta energy: -175.700
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: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1790.322474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.322474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.322474 (E_RNA)
where:
Base-Base interactions energy: -1212.886
where: short stacking energy: -529.392
Base-Backbone interact. energy: -2.655
local terms energy: -574.781515
where:
bonds (distance) C4'-P energy: -112.956
bonds (distance) P-C4' energy: -109.865
flat angles C4'-P-C4' energy: -127.192
flat angles P-C4'-P energy: -76.371
tors. eta vs tors. theta energy: -148.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1687.690229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.690229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.690229 (E_RNA)
where:
Base-Base interactions energy: -1146.605
where: short stacking energy: -478.963
Base-Backbone interact. energy: -0.883
local terms energy: -540.202766
where:
bonds (distance) C4'-P energy: -106.772
bonds (distance) P-C4' energy: -93.443
flat angles C4'-P-C4' energy: -124.738
flat angles P-C4'-P energy: -67.764
tors. eta vs tors. theta energy: -147.486
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1550.355536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.355536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.355536 (E_RNA)
where:
Base-Base interactions energy: -988.551
where: short stacking energy: -421.081
Base-Backbone interact. energy: 0.217
local terms energy: -562.021184
where:
bonds (distance) C4'-P energy: -114.714
bonds (distance) P-C4' energy: -112.842
flat angles C4'-P-C4' energy: -126.847
flat angles P-C4'-P energy: -89.547
tors. eta vs tors. theta energy: -118.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1286.061635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.061635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.061635 (E_RNA)
where:
Base-Base interactions energy: -842.791
where: short stacking energy: -367.060
Base-Backbone interact. energy: -0.361
local terms energy: -442.909645
where:
bonds (distance) C4'-P energy: -85.586
bonds (distance) P-C4' energy: -113.312
flat angles C4'-P-C4' energy: -101.234
flat angles P-C4'-P energy: -67.067
tors. eta vs tors. theta energy: -75.712
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: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -916.021394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.021394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.021394 (E_RNA)
where:
Base-Base interactions energy: -532.312
where: short stacking energy: -258.714
Base-Backbone interact. energy: 0.925
local terms energy: -384.634453
where:
bonds (distance) C4'-P energy: -102.267
bonds (distance) P-C4' energy: -95.411
flat angles C4'-P-C4' energy: -76.230
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -43.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -534.197731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.197731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.197731 (E_RNA)
where:
Base-Base interactions energy: -232.380
where: short stacking energy: -164.960
Base-Backbone interact. energy: -3.397
local terms energy: -298.420527
where:
bonds (distance) C4'-P energy: -73.345
bonds (distance) P-C4' energy: -111.925
flat angles C4'-P-C4' energy: -89.972
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: 23.428
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -567.121919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.121919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.121919 (E_RNA)
where:
Base-Base interactions energy: -220.467
where: short stacking energy: -140.235
Base-Backbone interact. energy: 3.342
local terms energy: -349.997230
where:
bonds (distance) C4'-P energy: -103.574
bonds (distance) P-C4' energy: -110.541
flat angles C4'-P-C4' energy: -86.804
flat angles P-C4'-P energy: -59.310
tors. eta vs tors. theta energy: 10.231
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: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2180.745617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.745617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.745617 (E_RNA)
where:
Base-Base interactions energy: -1513.812
where: short stacking energy: -612.854
Base-Backbone interact. energy: -1.663
local terms energy: -665.270599
where:
bonds (distance) C4'-P energy: -117.924
bonds (distance) P-C4' energy: -122.295
flat angles C4'-P-C4' energy: -145.025
flat angles P-C4'-P energy: -94.919
tors. eta vs tors. theta energy: -185.108
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: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2059.641356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.641356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.641356 (E_RNA)
where:
Base-Base interactions energy: -1398.075
where: short stacking energy: -582.169
Base-Backbone interact. energy: -1.912
local terms energy: -659.655229
where:
bonds (distance) C4'-P energy: -116.003
bonds (distance) P-C4' energy: -134.337
flat angles C4'-P-C4' energy: -129.112
flat angles P-C4'-P energy: -94.073
tors. eta vs tors. theta energy: -186.130
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: 401
Temperature: 1.000000
Total energy: -1984.172973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.172973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.172973 (E_RNA)
where:
Base-Base interactions energy: -1363.207
where: short stacking energy: -593.217
Base-Backbone interact. energy: 2.457
local terms energy: -623.423205
where:
bonds (distance) C4'-P energy: -115.141
bonds (distance) P-C4' energy: -106.098
flat angles C4'-P-C4' energy: -133.616
flat angles P-C4'-P energy: -86.962
tors. eta vs tors. theta energy: -181.606
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1750.203341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.203341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.203341 (E_RNA)
where:
Base-Base interactions energy: -1171.458
where: short stacking energy: -495.686
Base-Backbone interact. energy: -2.046
local terms energy: -576.698639
where:
bonds (distance) C4'-P energy: -127.289
bonds (distance) P-C4' energy: -116.385
flat angles C4'-P-C4' energy: -121.940
flat angles P-C4'-P energy: -67.052
tors. eta vs tors. theta energy: -144.032
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: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1692.791258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.791258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.791258 (E_RNA)
where:
Base-Base interactions energy: -1136.475
where: short stacking energy: -480.542
Base-Backbone interact. energy: -4.434
local terms energy: -551.882257
where:
bonds (distance) C4'-P energy: -96.501
bonds (distance) P-C4' energy: -104.438
flat angles C4'-P-C4' energy: -132.921
flat angles P-C4'-P energy: -80.392
tors. eta vs tors. theta energy: -137.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1645.166869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.166869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.166869 (E_RNA)
where:
Base-Base interactions energy: -1104.505
where: short stacking energy: -477.834
Base-Backbone interact. energy: 0.682
local terms energy: -541.343857
where:
bonds (distance) C4'-P energy: -117.307
bonds (distance) P-C4' energy: -98.921
flat angles C4'-P-C4' energy: -123.929
flat angles P-C4'-P energy: -80.893
tors. eta vs tors. theta energy: -120.294
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: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1304.451744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.451744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.451744 (E_RNA)
where:
Base-Base interactions energy: -863.200
where: short stacking energy: -382.785
Base-Backbone interact. energy: 0.783
local terms energy: -442.034665
where:
bonds (distance) C4'-P energy: -99.758
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -103.417
flat angles P-C4'-P energy: -58.910
tors. eta vs tors. theta energy: -90.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -883.614986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.614986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.614986 (E_RNA)
where:
Base-Base interactions energy: -504.196
where: short stacking energy: -241.831
Base-Backbone interact. energy: 0.871
local terms energy: -380.289658
where:
bonds (distance) C4'-P energy: -100.528
bonds (distance) P-C4' energy: -108.218
flat angles C4'-P-C4' energy: -92.362
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -589.760135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.760135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.760135 (E_RNA)
where:
Base-Base interactions energy: -274.159
where: short stacking energy: -149.720
Base-Backbone interact. energy: 5.263
local terms energy: -320.864035
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -109.559
flat angles C4'-P-C4' energy: -99.798
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: 8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -542.076805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.076805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.076805 (E_RNA)
where:
Base-Base interactions energy: -207.151
where: short stacking energy: -126.677
Base-Backbone interact. energy: 2.128
local terms energy: -337.053192
where:
bonds (distance) C4'-P energy: -109.249
bonds (distance) P-C4' energy: -112.014
flat angles C4'-P-C4' energy: -95.340
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: 29.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2153.733068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.733068 (E_RNA)
where:
Base-Base interactions energy: -1502.127
where: short stacking energy: -610.346
Base-Backbone interact. energy: 3.675
local terms energy: -655.280574
where:
bonds (distance) C4'-P energy: -115.755
bonds (distance) P-C4' energy: -118.695
flat angles C4'-P-C4' energy: -139.028
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -179.620
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: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2022.304050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.304050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.304050 (E_RNA)
where:
Base-Base interactions energy: -1376.137
where: short stacking energy: -558.400
Base-Backbone interact. energy: -1.847
local terms energy: -644.320088
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -129.973
flat angles C4'-P-C4' energy: -131.351
flat angles P-C4'-P energy: -77.355
tors. eta vs tors. theta energy: -174.016
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: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1997.258070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.258070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.258070 (E_RNA)
where:
Base-Base interactions energy: -1362.279
where: short stacking energy: -554.787
Base-Backbone interact. energy: -4.153
local terms energy: -630.826419
where:
bonds (distance) C4'-P energy: -119.106
bonds (distance) P-C4' energy: -122.112
flat angles C4'-P-C4' energy: -124.122
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -181.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1814.752569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.752569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.752569 (E_RNA)
where:
Base-Base interactions energy: -1201.033
where: short stacking energy: -504.211
Base-Backbone interact. energy: -1.529
local terms energy: -612.190202
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -131.536
flat angles P-C4'-P energy: -94.054
tors. eta vs tors. theta energy: -163.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1662.713347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.713347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.713347 (E_RNA)
where:
Base-Base interactions energy: -1107.107
where: short stacking energy: -482.075
Base-Backbone interact. energy: -2.370
local terms energy: -553.235763
where:
bonds (distance) C4'-P energy: -106.546
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -124.284
flat angles P-C4'-P energy: -75.728
tors. eta vs tors. theta energy: -128.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1646.773482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.773482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.773482 (E_RNA)
where:
Base-Base interactions energy: -1092.996
where: short stacking energy: -473.430
Base-Backbone interact. energy: -3.903
local terms energy: -549.873889
where:
bonds (distance) C4'-P energy: -100.394
bonds (distance) P-C4' energy: -116.208
flat angles C4'-P-C4' energy: -121.712
flat angles P-C4'-P energy: -78.339
tors. eta vs tors. theta energy: -133.221
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1281.353508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.353508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.353508 (E_RNA)
where:
Base-Base interactions energy: -812.400
where: short stacking energy: -338.068
Base-Backbone interact. energy: -2.851
local terms energy: -466.102468
where:
bonds (distance) C4'-P energy: -106.114
bonds (distance) P-C4' energy: -113.722
flat angles C4'-P-C4' energy: -103.207
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -79.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -966.092248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.092248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.092248 (E_RNA)
where:
Base-Base interactions energy: -532.679
where: short stacking energy: -259.954
Base-Backbone interact. energy: -2.596
local terms energy: -430.817405
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -110.293
flat angles C4'-P-C4' energy: -90.551
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -47.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -606.603379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.603379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.603379 (E_RNA)
where:
Base-Base interactions energy: -262.039
where: short stacking energy: -171.096
Base-Backbone interact. energy: 2.428
local terms energy: -346.991997
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -110.057
flat angles C4'-P-C4' energy: -87.091
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -565.152803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.152803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.152803 (E_RNA)
where:
Base-Base interactions energy: -259.053
where: short stacking energy: -161.697
Base-Backbone interact. energy: 1.924
local terms energy: -308.024087
where:
bonds (distance) C4'-P energy: -97.426
bonds (distance) P-C4' energy: -99.387
flat angles C4'-P-C4' energy: -81.730
flat angles P-C4'-P energy: -39.134
tors. eta vs tors. theta energy: 9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2180.509915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.509915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.509915 (E_RNA)
where:
Base-Base interactions energy: -1527.156
where: short stacking energy: -602.915
Base-Backbone interact. energy: -1.294
local terms energy: -652.059295
where:
bonds (distance) C4'-P energy: -117.337
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -133.041
flat angles P-C4'-P energy: -90.120
tors. eta vs tors. theta energy: -184.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2056.750702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.750702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.750702 (E_RNA)
where:
Base-Base interactions energy: -1394.611
where: short stacking energy: -569.535
Base-Backbone interact. energy: -1.891
local terms energy: -660.248819
where:
bonds (distance) C4'-P energy: -127.662
bonds (distance) P-C4' energy: -123.247
flat angles C4'-P-C4' energy: -141.208
flat angles P-C4'-P energy: -90.581
tors. eta vs tors. theta energy: -177.550
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: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2001.698574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.698574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.698574 (E_RNA)
where:
Base-Base interactions energy: -1371.486
where: short stacking energy: -583.181
Base-Backbone interact. energy: -2.591
local terms energy: -627.620874
where:
bonds (distance) C4'-P energy: -113.752
bonds (distance) P-C4' energy: -111.340
flat angles C4'-P-C4' energy: -136.102
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -186.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1793.577372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.577372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.577372 (E_RNA)
where:
Base-Base interactions energy: -1194.817
where: short stacking energy: -508.186
Base-Backbone interact. energy: -0.743
local terms energy: -598.017198
where:
bonds (distance) C4'-P energy: -117.305
bonds (distance) P-C4' energy: -108.772
flat angles C4'-P-C4' energy: -123.168
flat angles P-C4'-P energy: -92.046
tors. eta vs tors. theta energy: -156.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1684.901802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.901802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.901802 (E_RNA)
where:
Base-Base interactions energy: -1129.259
where: short stacking energy: -483.596
Base-Backbone interact. energy: 2.501
local terms energy: -558.144019
where:
bonds (distance) C4'-P energy: -110.882
bonds (distance) P-C4' energy: -106.419
flat angles C4'-P-C4' energy: -128.802
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -147.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1663.583726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.583726 (E_RNA)
where:
Base-Base interactions energy: -1125.025
where: short stacking energy: -484.008
Base-Backbone interact. energy: -1.084
local terms energy: -537.474493
where:
bonds (distance) C4'-P energy: -86.980
bonds (distance) P-C4' energy: -122.719
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -64.581
tors. eta vs tors. theta energy: -151.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1295.628493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.628493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.628493 (E_RNA)
where:
Base-Base interactions energy: -859.557
where: short stacking energy: -371.801
Base-Backbone interact. energy: -1.119
local terms energy: -434.952744
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -87.809
flat angles C4'-P-C4' energy: -115.187
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: -83.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -930.281644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.281644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.281644 (E_RNA)
where:
Base-Base interactions energy: -554.156
where: short stacking energy: -265.956
Base-Backbone interact. energy: -1.672
local terms energy: -374.452984
where:
bonds (distance) C4'-P energy: -89.386
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -67.077
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -620.688920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.688920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.688920 (E_RNA)
where:
Base-Base interactions energy: -270.148
where: short stacking energy: -187.598
Base-Backbone interact. energy: -1.892
local terms energy: -348.649183
where:
bonds (distance) C4'-P energy: -89.261
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -92.749
flat angles P-C4'-P energy: -65.924
tors. eta vs tors. theta energy: 3.454
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: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -568.975260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.975260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.975260 (E_RNA)
where:
Base-Base interactions energy: -238.460
where: short stacking energy: -161.222
Base-Backbone interact. energy: 2.283
local terms energy: -332.797439
where:
bonds (distance) C4'-P energy: -109.677
bonds (distance) P-C4' energy: -117.123
flat angles C4'-P-C4' energy: -85.759
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: 24.662
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2182.895047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.895047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.895047 (E_RNA)
where:
Base-Base interactions energy: -1540.213
where: short stacking energy: -582.294
Base-Backbone interact. energy: -5.725
local terms energy: -636.957784
where:
bonds (distance) C4'-P energy: -113.934
bonds (distance) P-C4' energy: -122.166
flat angles C4'-P-C4' energy: -140.406
flat angles P-C4'-P energy: -94.166
tors. eta vs tors. theta energy: -166.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2040.498652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.498652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.498652 (E_RNA)
where:
Base-Base interactions energy: -1395.857
where: short stacking energy: -592.963
Base-Backbone interact. energy: -0.348
local terms energy: -644.293000
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -115.440
flat angles C4'-P-C4' energy: -137.976
flat angles P-C4'-P energy: -91.902
tors. eta vs tors. theta energy: -177.534
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1986.531885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.531885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.531885 (E_RNA)
where:
Base-Base interactions energy: -1382.714
where: short stacking energy: -554.348
Base-Backbone interact. energy: -1.337
local terms energy: -602.481423
where:
bonds (distance) C4'-P energy: -101.518
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -127.559
flat angles P-C4'-P energy: -82.759
tors. eta vs tors. theta energy: -180.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1746.736802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.736802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.736802 (E_RNA)
where:
Base-Base interactions energy: -1169.549
where: short stacking energy: -503.669
Base-Backbone interact. energy: -1.739
local terms energy: -575.449030
where:
bonds (distance) C4'-P energy: -121.389
bonds (distance) P-C4' energy: -114.079
flat angles C4'-P-C4' energy: -115.848
flat angles P-C4'-P energy: -69.436
tors. eta vs tors. theta energy: -154.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1731.227398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.227398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.227398 (E_RNA)
where:
Base-Base interactions energy: -1165.800
where: short stacking energy: -490.080
Base-Backbone interact. energy: -2.310
local terms energy: -563.117281
where:
bonds (distance) C4'-P energy: -105.134
bonds (distance) P-C4' energy: -109.219
flat angles C4'-P-C4' energy: -125.328
flat angles P-C4'-P energy: -76.219
tors. eta vs tors. theta energy: -147.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1628.127111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.127111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.127111 (E_RNA)
where:
Base-Base interactions energy: -1091.032
where: short stacking energy: -478.315
Base-Backbone interact. energy: -2.506
local terms energy: -534.588238
where:
bonds (distance) C4'-P energy: -98.975
bonds (distance) P-C4' energy: -103.886
flat angles C4'-P-C4' energy: -116.953
flat angles P-C4'-P energy: -64.828
tors. eta vs tors. theta energy: -149.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1316.676080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.676080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.676080 (E_RNA)
where:
Base-Base interactions energy: -863.163
where: short stacking energy: -360.635
Base-Backbone interact. energy: -3.115
local terms energy: -450.397655
where:
bonds (distance) C4'-P energy: -94.618
bonds (distance) P-C4' energy: -97.687
flat angles C4'-P-C4' energy: -97.316
flat angles P-C4'-P energy: -70.296
tors. eta vs tors. theta energy: -90.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -923.287886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.287886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.287886 (E_RNA)
where:
Base-Base interactions energy: -506.440
where: short stacking energy: -239.737
Base-Backbone interact. energy: -2.252
local terms energy: -414.596023
where:
bonds (distance) C4'-P energy: -113.639
bonds (distance) P-C4' energy: -107.615
flat angles C4'-P-C4' energy: -87.064
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -38.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -607.548917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.548917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.548917 (E_RNA)
where:
Base-Base interactions energy: -269.012
where: short stacking energy: -182.641
Base-Backbone interact. energy: -0.264
local terms energy: -338.272897
where:
bonds (distance) C4'-P energy: -101.744
bonds (distance) P-C4' energy: -97.166
flat angles C4'-P-C4' energy: -83.535
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -483.225406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.225406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.225406 (E_RNA)
where:
Base-Base interactions energy: -180.947
where: short stacking energy: -128.811
Base-Backbone interact. energy: -0.906
local terms energy: -301.373104
where:
bonds (distance) C4'-P energy: -96.889
bonds (distance) P-C4' energy: -86.959
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: 3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2198.586750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.586750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.586750 (E_RNA)
where:
Base-Base interactions energy: -1518.524
where: short stacking energy: -609.651
Base-Backbone interact. energy: -4.775
local terms energy: -675.287050
where:
bonds (distance) C4'-P energy: -108.516
bonds (distance) P-C4' energy: -128.193
flat angles C4'-P-C4' energy: -147.712
flat angles P-C4'-P energy: -105.382
tors. eta vs tors. theta energy: -185.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2041.427317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.427317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.427317 (E_RNA)
where:
Base-Base interactions energy: -1409.338
where: short stacking energy: -565.760
Base-Backbone interact. energy: -1.933
local terms energy: -630.156684
where:
bonds (distance) C4'-P energy: -121.223
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -136.515
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -173.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1945.471357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.471357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.471357 (E_RNA)
where:
Base-Base interactions energy: -1333.392
where: short stacking energy: -566.939
Base-Backbone interact. energy: -1.877
local terms energy: -610.203294
where:
bonds (distance) C4'-P energy: -106.476
bonds (distance) P-C4' energy: -113.827
flat angles C4'-P-C4' energy: -126.701
flat angles P-C4'-P energy: -82.563
tors. eta vs tors. theta energy: -180.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1819.760510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.760510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.760510 (E_RNA)
where:
Base-Base interactions energy: -1225.178
where: short stacking energy: -542.517
Base-Backbone interact. energy: 2.164
local terms energy: -596.746325
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -118.654
flat angles C4'-P-C4' energy: -132.425
flat angles P-C4'-P energy: -68.809
tors. eta vs tors. theta energy: -171.014
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: 405
Temperature: 1.100000
Total energy: -1702.738768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.738768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.738768 (E_RNA)
where:
Base-Base interactions energy: -1184.837
where: short stacking energy: -479.095
Base-Backbone interact. energy: 0.259
local terms energy: -518.161053
where:
bonds (distance) C4'-P energy: -92.838
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -123.474
flat angles P-C4'-P energy: -67.372
tors. eta vs tors. theta energy: -135.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1626.496858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.496858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.496858 (E_RNA)
where:
Base-Base interactions energy: -1090.361
where: short stacking energy: -472.381
Base-Backbone interact. energy: -0.936
local terms energy: -535.199551
where:
bonds (distance) C4'-P energy: -98.914
bonds (distance) P-C4' energy: -98.774
flat angles C4'-P-C4' energy: -116.126
flat angles P-C4'-P energy: -82.611
tors. eta vs tors. theta energy: -138.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1347.751894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.751894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.751894 (E_RNA)
where:
Base-Base interactions energy: -863.404
where: short stacking energy: -378.322
Base-Backbone interact. energy: -0.039
local terms energy: -484.308855
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -121.368
flat angles P-C4'-P energy: -70.448
tors. eta vs tors. theta energy: -98.172
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -899.284267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.284267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.284267 (E_RNA)
where:
Base-Base interactions energy: -543.761
where: short stacking energy: -240.482
Base-Backbone interact. energy: -2.302
local terms energy: -353.221290
where:
bonds (distance) C4'-P energy: -91.807
bonds (distance) P-C4' energy: -93.605
flat angles C4'-P-C4' energy: -106.506
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -633.203282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.203282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.203282 (E_RNA)
where:
Base-Base interactions energy: -292.673
where: short stacking energy: -207.031
Base-Backbone interact. energy: -0.418
local terms energy: -340.111986
where:
bonds (distance) C4'-P energy: -94.567
bonds (distance) P-C4' energy: -105.205
flat angles C4'-P-C4' energy: -83.865
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -503.785972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.785972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.785972 (E_RNA)
where:
Base-Base interactions energy: -191.808
where: short stacking energy: -120.097
Base-Backbone interact. energy: 1.703
local terms energy: -313.681203
where:
bonds (distance) C4'-P energy: -92.536
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -88.840
flat angles P-C4'-P energy: -46.542
tors. eta vs tors. theta energy: 23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2177.821773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.821773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.821773 (E_RNA)
where:
Base-Base interactions energy: -1509.570
where: short stacking energy: -599.338
Base-Backbone interact. energy: 0.345
local terms energy: -668.596508
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -125.229
flat angles C4'-P-C4' energy: -144.240
flat angles P-C4'-P energy: -106.626
tors. eta vs tors. theta energy: -185.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2047.358084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.358084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.358084 (E_RNA)
where:
Base-Base interactions energy: -1403.772
where: short stacking energy: -596.217
Base-Backbone interact. energy: -2.427
local terms energy: -641.159629
where:
bonds (distance) C4'-P energy: -106.470
bonds (distance) P-C4' energy: -126.435
flat angles C4'-P-C4' energy: -135.246
flat angles P-C4'-P energy: -86.199
tors. eta vs tors. theta energy: -186.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1992.536041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.536041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.536041 (E_RNA)
where:
Base-Base interactions energy: -1361.180
where: short stacking energy: -587.142
Base-Backbone interact. energy: -2.721
local terms energy: -628.635614
where:
bonds (distance) C4'-P energy: -118.150
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -134.102
flat angles P-C4'-P energy: -83.551
tors. eta vs tors. theta energy: -176.539
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: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1813.884524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.884524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.884524 (E_RNA)
where:
Base-Base interactions energy: -1237.097
where: short stacking energy: -517.445
Base-Backbone interact. energy: -0.789
local terms energy: -575.997981
where:
bonds (distance) C4'-P energy: -124.766
bonds (distance) P-C4' energy: -115.630
flat angles C4'-P-C4' energy: -116.913
flat angles P-C4'-P energy: -63.683
tors. eta vs tors. theta energy: -155.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1733.694652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.694652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.694652 (E_RNA)
where:
Base-Base interactions energy: -1144.790
where: short stacking energy: -472.427
Base-Backbone interact. energy: -1.512
local terms energy: -587.393000
where:
bonds (distance) C4'-P energy: -105.650
bonds (distance) P-C4' energy: -125.695
flat angles C4'-P-C4' energy: -125.097
flat angles P-C4'-P energy: -93.891
tors. eta vs tors. theta energy: -137.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1618.668353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.668353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.668353 (E_RNA)
where:
Base-Base interactions energy: -1084.849
where: short stacking energy: -433.323
Base-Backbone interact. energy: 1.762
local terms energy: -535.581385
where:
bonds (distance) C4'-P energy: -93.710
bonds (distance) P-C4' energy: -122.539
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -77.455
tors. eta vs tors. theta energy: -123.434
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: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1363.935548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.935548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.935548 (E_RNA)
where:
Base-Base interactions energy: -901.921
where: short stacking energy: -391.901
Base-Backbone interact. energy: 4.526
local terms energy: -466.541316
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -115.003
flat angles P-C4'-P energy: -74.719
tors. eta vs tors. theta energy: -89.089
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: 406
Temperature: 1.250000
Total energy: -974.594956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.594956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.594956 (E_RNA)
where:
Base-Base interactions energy: -580.550
where: short stacking energy: -269.885
Base-Backbone interact. energy: -2.668
local terms energy: -391.377337
where:
bonds (distance) C4'-P energy: -93.691
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -98.145
flat angles P-C4'-P energy: -63.374
tors. eta vs tors. theta energy: -43.897
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -565.673316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.673316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.673316 (E_RNA)
where:
Base-Base interactions energy: -255.358
where: short stacking energy: -154.194
Base-Backbone interact. energy: 1.972
local terms energy: -312.287441
where:
bonds (distance) C4'-P energy: -100.098
bonds (distance) P-C4' energy: -92.384
flat angles C4'-P-C4' energy: -79.978
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: 25.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -468.324578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.324578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.324578 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -126.252
Base-Backbone interact. energy: 4.521
local terms energy: -309.191712
where:
bonds (distance) C4'-P energy: -87.147
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -117.494
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: 25.228
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: 407
Temperature: 0.900000
Total energy: -2182.542649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.542649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.542649 (E_RNA)
where:
Base-Base interactions energy: -1555.139
where: short stacking energy: -612.206
Base-Backbone interact. energy: -3.581
local terms energy: -623.822673
where:
bonds (distance) C4'-P energy: -102.760
bonds (distance) P-C4' energy: -120.698
flat angles C4'-P-C4' energy: -137.897
flat angles P-C4'-P energy: -92.316
tors. eta vs tors. theta energy: -170.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2027.489642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.489642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.489642 (E_RNA)
where:
Base-Base interactions energy: -1384.061
where: short stacking energy: -603.101
Base-Backbone interact. energy: -1.831
local terms energy: -641.597881
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -119.012
flat angles C4'-P-C4' energy: -136.399
flat angles P-C4'-P energy: -100.276
tors. eta vs tors. theta energy: -178.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2022.415605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.415605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.415605 (E_RNA)
where:
Base-Base interactions energy: -1396.633
where: short stacking energy: -591.027
Base-Backbone interact. energy: -1.022
local terms energy: -624.760749
where:
bonds (distance) C4'-P energy: -122.189
bonds (distance) P-C4' energy: -107.126
flat angles C4'-P-C4' energy: -120.269
flat angles P-C4'-P energy: -89.868
tors. eta vs tors. theta energy: -185.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1877.943910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.943910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.943910 (E_RNA)
where:
Base-Base interactions energy: -1283.948
where: short stacking energy: -572.446
Base-Backbone interact. energy: -1.605
local terms energy: -592.390850
where:
bonds (distance) C4'-P energy: -102.615
bonds (distance) P-C4' energy: -104.080
flat angles C4'-P-C4' energy: -128.955
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -174.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1707.027962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.027962 (E_RNA)
where:
Base-Base interactions energy: -1139.411
where: short stacking energy: -486.081
Base-Backbone interact. energy: -2.524
local terms energy: -565.092929
where:
bonds (distance) C4'-P energy: -112.277
bonds (distance) P-C4' energy: -114.968
flat angles C4'-P-C4' energy: -126.144
flat angles P-C4'-P energy: -71.093
tors. eta vs tors. theta energy: -140.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1651.353635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.353635 (E_RNA)
where:
Base-Base interactions energy: -1103.020
where: short stacking energy: -495.262
Base-Backbone interact. energy: -3.312
local terms energy: -545.022222
where:
bonds (distance) C4'-P energy: -102.013
bonds (distance) P-C4' energy: -114.427
flat angles C4'-P-C4' energy: -119.211
flat angles P-C4'-P energy: -66.445
tors. eta vs tors. theta energy: -142.927
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: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1312.343426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.343426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.343426 (E_RNA)
where:
Base-Base interactions energy: -842.776
where: short stacking energy: -358.437
Base-Backbone interact. energy: -1.374
local terms energy: -468.194059
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -118.537
flat angles P-C4'-P energy: -65.042
tors. eta vs tors. theta energy: -76.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -931.194908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.194908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.194908 (E_RNA)
where:
Base-Base interactions energy: -556.061
where: short stacking energy: -270.176
Base-Backbone interact. energy: -1.484
local terms energy: -373.650467
where:
bonds (distance) C4'-P energy: -94.185
bonds (distance) P-C4' energy: -98.999
flat angles C4'-P-C4' energy: -83.681
flat angles P-C4'-P energy: -69.114
tors. eta vs tors. theta energy: -27.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -643.859683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.859683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.859683 (E_RNA)
where:
Base-Base interactions energy: -313.259
where: short stacking energy: -174.080
Base-Backbone interact. energy: 3.122
local terms energy: -333.722624
where:
bonds (distance) C4'-P energy: -100.162
bonds (distance) P-C4' energy: -105.150
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -55.931
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -535.402076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.402076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.402076 (E_RNA)
where:
Base-Base interactions energy: -221.964
where: short stacking energy: -132.211
Base-Backbone interact. energy: -0.890
local terms energy: -312.548438
where:
bonds (distance) C4'-P energy: -109.633
bonds (distance) P-C4' energy: -91.353
flat angles C4'-P-C4' energy: -92.886
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: 24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2140.459942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.459942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.459942 (E_RNA)
where:
Base-Base interactions energy: -1510.012
where: short stacking energy: -614.296
Base-Backbone interact. energy: -1.029
local terms energy: -629.418864
where:
bonds (distance) C4'-P energy: -119.467
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -132.622
flat angles P-C4'-P energy: -96.480
tors. eta vs tors. theta energy: -176.336
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: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2015.562349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.562349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.562349 (E_RNA)
where:
Base-Base interactions energy: -1369.452
where: short stacking energy: -586.185
Base-Backbone interact. energy: -0.460
local terms energy: -645.650398
where:
bonds (distance) C4'-P energy: -112.549
bonds (distance) P-C4' energy: -124.449
flat angles C4'-P-C4' energy: -131.623
flat angles P-C4'-P energy: -95.036
tors. eta vs tors. theta energy: -181.993
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: 408
Temperature: 1.000000
Total energy: -2022.025149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.025149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.025149 (E_RNA)
where:
Base-Base interactions energy: -1378.893
where: short stacking energy: -575.208
Base-Backbone interact. energy: -3.045
local terms energy: -640.087311
where:
bonds (distance) C4'-P energy: -117.441
bonds (distance) P-C4' energy: -108.737
flat angles C4'-P-C4' energy: -135.361
flat angles P-C4'-P energy: -91.214
tors. eta vs tors. theta energy: -187.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1854.435189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.435189 (E_RNA)
where:
Base-Base interactions energy: -1258.255
where: short stacking energy: -562.716
Base-Backbone interact. energy: -2.217
local terms energy: -593.963804
where:
bonds (distance) C4'-P energy: -103.683
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -126.314
flat angles P-C4'-P energy: -83.054
tors. eta vs tors. theta energy: -177.972
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: 408
Temperature: 1.100000
Total energy: -1708.337380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.337380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.337380 (E_RNA)
where:
Base-Base interactions energy: -1138.666
where: short stacking energy: -477.435
Base-Backbone interact. energy: -2.635
local terms energy: -567.035758
where:
bonds (distance) C4'-P energy: -111.180
bonds (distance) P-C4' energy: -108.684
flat angles C4'-P-C4' energy: -123.642
flat angles P-C4'-P energy: -78.131
tors. eta vs tors. theta energy: -145.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1587.266091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.266091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.266091 (E_RNA)
where:
Base-Base interactions energy: -1044.678
where: short stacking energy: -438.732
Base-Backbone interact. energy: -3.025
local terms energy: -539.563589
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -111.329
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -70.832
tors. eta vs tors. theta energy: -131.060
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: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1365.774207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.774207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.774207 (E_RNA)
where:
Base-Base interactions energy: -903.634
where: short stacking energy: -391.625
Base-Backbone interact. energy: -3.454
local terms energy: -458.685912
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -106.404
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -64.986
tors. eta vs tors. theta energy: -86.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -979.865561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.865561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.865561 (E_RNA)
where:
Base-Base interactions energy: -552.288
where: short stacking energy: -274.108
Base-Backbone interact. energy: -0.743
local terms energy: -426.834393
where:
bonds (distance) C4'-P energy: -99.978
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -95.647
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -51.815
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -665.404212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.404212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.404212 (E_RNA)
where:
Base-Base interactions energy: -300.802
where: short stacking energy: -187.911
Base-Backbone interact. energy: -3.123
local terms energy: -361.479749
where:
bonds (distance) C4'-P energy: -85.621
bonds (distance) P-C4' energy: -104.788
flat angles C4'-P-C4' energy: -93.757
flat angles P-C4'-P energy: -75.755
tors. eta vs tors. theta energy: -1.559
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -528.894879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.894879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.894879 (E_RNA)
where:
Base-Base interactions energy: -184.877
where: short stacking energy: -125.304
Base-Backbone interact. energy: 1.052
local terms energy: -345.069580
where:
bonds (distance) C4'-P energy: -94.959
bonds (distance) P-C4' energy: -120.039
flat angles C4'-P-C4' energy: -104.750
flat angles P-C4'-P energy: -51.018
tors. eta vs tors. theta energy: 25.697
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: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2171.371931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.371931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.371931 (E_RNA)
where:
Base-Base interactions energy: -1496.773
where: short stacking energy: -600.669
Base-Backbone interact. energy: -4.175
local terms energy: -670.424440
where:
bonds (distance) C4'-P energy: -116.069
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -140.933
flat angles P-C4'-P energy: -100.638
tors. eta vs tors. theta energy: -185.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2021.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.303988 (E_RNA)
where:
Base-Base interactions energy: -1401.109
where: short stacking energy: -550.565
Base-Backbone interact. energy: -1.179
local terms energy: -619.015711
where:
bonds (distance) C4'-P energy: -128.822
bonds (distance) P-C4' energy: -115.527
flat angles C4'-P-C4' energy: -131.756
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -159.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2024.398970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.398970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.398970 (E_RNA)
where:
Base-Base interactions energy: -1398.971
where: short stacking energy: -593.023
Base-Backbone interact. energy: -0.674
local terms energy: -624.753896
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -103.117
flat angles C4'-P-C4' energy: -136.927
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -189.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1838.713672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.713672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.713672 (E_RNA)
where:
Base-Base interactions energy: -1210.795
where: short stacking energy: -529.633
Base-Backbone interact. energy: -0.481
local terms energy: -627.437148
where:
bonds (distance) C4'-P energy: -124.143
bonds (distance) P-C4' energy: -120.127
flat angles C4'-P-C4' energy: -123.569
flat angles P-C4'-P energy: -91.120
tors. eta vs tors. theta energy: -168.478
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: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1688.509120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.509120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.509120 (E_RNA)
where:
Base-Base interactions energy: -1136.653
where: short stacking energy: -487.079
Base-Backbone interact. energy: -0.169
local terms energy: -551.686587
where:
bonds (distance) C4'-P energy: -106.918
bonds (distance) P-C4' energy: -126.361
flat angles C4'-P-C4' energy: -113.695
flat angles P-C4'-P energy: -64.074
tors. eta vs tors. theta energy: -140.638
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1529.357941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.357941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.357941 (E_RNA)
where:
Base-Base interactions energy: -1025.652
where: short stacking energy: -415.934
Base-Backbone interact. energy: -2.891
local terms energy: -500.815220
where:
bonds (distance) C4'-P energy: -107.247
bonds (distance) P-C4' energy: -113.550
flat angles C4'-P-C4' energy: -102.542
flat angles P-C4'-P energy: -69.087
tors. eta vs tors. theta energy: -108.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1365.791797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.791797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.791797 (E_RNA)
where:
Base-Base interactions energy: -871.971
where: short stacking energy: -363.232
Base-Backbone interact. energy: 2.411
local terms energy: -496.231942
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -117.075
flat angles C4'-P-C4' energy: -91.641
flat angles P-C4'-P energy: -81.476
tors. eta vs tors. theta energy: -95.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -955.642822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.642822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.642822 (E_RNA)
where:
Base-Base interactions energy: -569.300
where: short stacking energy: -270.358
Base-Backbone interact. energy: 5.500
local terms energy: -391.843199
where:
bonds (distance) C4'-P energy: -99.311
bonds (distance) P-C4' energy: -100.390
flat angles C4'-P-C4' energy: -92.450
flat angles P-C4'-P energy: -64.131
tors. eta vs tors. theta energy: -35.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -598.904538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.904538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.904538 (E_RNA)
where:
Base-Base interactions energy: -242.013
where: short stacking energy: -183.996
Base-Backbone interact. energy: 1.864
local terms energy: -358.756010
where:
bonds (distance) C4'-P energy: -90.922
bonds (distance) P-C4' energy: -115.308
flat angles C4'-P-C4' energy: -97.270
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -547.264248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.264248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.264248 (E_RNA)
where:
Base-Base interactions energy: -251.226
where: short stacking energy: -152.908
Base-Backbone interact. energy: -0.972
local terms energy: -295.065822
where:
bonds (distance) C4'-P energy: -82.721
bonds (distance) P-C4' energy: -88.606
flat angles C4'-P-C4' energy: -84.916
flat angles P-C4'-P energy: -55.987
tors. eta vs tors. theta energy: 17.165
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: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2151.669451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.669451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.669451 (E_RNA)
where:
Base-Base interactions energy: -1499.541
where: short stacking energy: -575.457
Base-Backbone interact. energy: -4.153
local terms energy: -647.974701
where:
bonds (distance) C4'-P energy: -112.403
bonds (distance) P-C4' energy: -126.887
flat angles C4'-P-C4' energy: -143.152
flat angles P-C4'-P energy: -89.463
tors. eta vs tors. theta energy: -176.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2018.263539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.263539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.263539 (E_RNA)
where:
Base-Base interactions energy: -1392.426
where: short stacking energy: -557.740
Base-Backbone interact. energy: -2.793
local terms energy: -623.044682
where:
bonds (distance) C4'-P energy: -123.162
bonds (distance) P-C4' energy: -113.786
flat angles C4'-P-C4' energy: -129.534
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -160.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2027.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.807544 (E_RNA)
where:
Base-Base interactions energy: -1391.755
where: short stacking energy: -598.403
Base-Backbone interact. energy: 0.961
local terms energy: -637.013735
where:
bonds (distance) C4'-P energy: -118.525
bonds (distance) P-C4' energy: -103.991
flat angles C4'-P-C4' energy: -148.771
flat angles P-C4'-P energy: -85.725
tors. eta vs tors. theta energy: -180.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1813.728677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.728677 (E_RNA)
where:
Base-Base interactions energy: -1205.388
where: short stacking energy: -528.441
Base-Backbone interact. energy: -0.674
local terms energy: -607.666420
where:
bonds (distance) C4'-P energy: -114.735
bonds (distance) P-C4' energy: -113.649
flat angles C4'-P-C4' energy: -133.092
flat angles P-C4'-P energy: -81.833
tors. eta vs tors. theta energy: -164.358
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: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1675.323713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.323713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.323713 (E_RNA)
where:
Base-Base interactions energy: -1132.555
where: short stacking energy: -484.004
Base-Backbone interact. energy: -2.798
local terms energy: -539.970058
where:
bonds (distance) C4'-P energy: -101.377
bonds (distance) P-C4' energy: -98.566
flat angles C4'-P-C4' energy: -119.676
flat angles P-C4'-P energy: -87.536
tors. eta vs tors. theta energy: -132.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1550.285608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.285608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.285608 (E_RNA)
where:
Base-Base interactions energy: -1020.076
where: short stacking energy: -453.682
Base-Backbone interact. energy: 2.842
local terms energy: -533.051721
where:
bonds (distance) C4'-P energy: -110.135
bonds (distance) P-C4' energy: -116.505
flat angles C4'-P-C4' energy: -121.037
flat angles P-C4'-P energy: -55.135
tors. eta vs tors. theta energy: -130.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1384.906796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.906796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.906796 (E_RNA)
where:
Base-Base interactions energy: -888.429
where: short stacking energy: -374.775
Base-Backbone interact. energy: 2.945
local terms energy: -499.422426
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -111.871
flat angles C4'-P-C4' energy: -116.190
flat angles P-C4'-P energy: -63.555
tors. eta vs tors. theta energy: -97.899
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: 410
Temperature: 1.250000
Total energy: -941.477283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.477283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.477283 (E_RNA)
where:
Base-Base interactions energy: -555.104
where: short stacking energy: -260.171
Base-Backbone interact. energy: -2.085
local terms energy: -384.287819
where:
bonds (distance) C4'-P energy: -100.217
bonds (distance) P-C4' energy: -84.783
flat angles C4'-P-C4' energy: -103.215
flat angles P-C4'-P energy: -58.085
tors. eta vs tors. theta energy: -37.987
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: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -615.889844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.889844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.889844 (E_RNA)
where:
Base-Base interactions energy: -266.455
where: short stacking energy: -175.306
Base-Backbone interact. energy: -2.202
local terms energy: -347.232664
where:
bonds (distance) C4'-P energy: -99.317
bonds (distance) P-C4' energy: -118.746
flat angles C4'-P-C4' energy: -73.927
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: 4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -525.934205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.934205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.934205 (E_RNA)
where:
Base-Base interactions energy: -219.217
where: short stacking energy: -145.723
Base-Backbone interact. energy: 0.678
local terms energy: -307.395909
where:
bonds (distance) C4'-P energy: -81.814
bonds (distance) P-C4' energy: -106.311
flat angles C4'-P-C4' energy: -95.961
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: 27.424
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: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2143.313748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.313748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.313748 (E_RNA)
where:
Base-Base interactions energy: -1477.203
where: short stacking energy: -614.149
Base-Backbone interact. energy: -3.538
local terms energy: -662.573353
where:
bonds (distance) C4'-P energy: -130.020
bonds (distance) P-C4' energy: -127.099
flat angles C4'-P-C4' energy: -141.324
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -185.847
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: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2017.962633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.962633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.962633 (E_RNA)
where:
Base-Base interactions energy: -1387.340
where: short stacking energy: -580.274
Base-Backbone interact. energy: -1.981
local terms energy: -628.641964
where:
bonds (distance) C4'-P energy: -102.352
bonds (distance) P-C4' energy: -124.840
flat angles C4'-P-C4' energy: -138.044
flat angles P-C4'-P energy: -74.908
tors. eta vs tors. theta energy: -188.498
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: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1960.154611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.154611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.154611 (E_RNA)
where:
Base-Base interactions energy: -1369.826
where: short stacking energy: -552.004
Base-Backbone interact. energy: -2.203
local terms energy: -588.125683
where:
bonds (distance) C4'-P energy: -106.958
bonds (distance) P-C4' energy: -101.783
flat angles C4'-P-C4' energy: -138.989
flat angles P-C4'-P energy: -78.112
tors. eta vs tors. theta energy: -162.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1851.342339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.342339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.342339 (E_RNA)
where:
Base-Base interactions energy: -1245.333
where: short stacking energy: -551.236
Base-Backbone interact. energy: -0.511
local terms energy: -605.498802
where:
bonds (distance) C4'-P energy: -111.013
bonds (distance) P-C4' energy: -98.829
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -171.092
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1649.388407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.388407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.388407 (E_RNA)
where:
Base-Base interactions energy: -1096.292
where: short stacking energy: -480.559
Base-Backbone interact. energy: -0.818
local terms energy: -552.279075
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -92.830
flat angles C4'-P-C4' energy: -126.448
flat angles P-C4'-P energy: -90.908
tors. eta vs tors. theta energy: -132.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1565.738291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.738291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.738291 (E_RNA)
where:
Base-Base interactions energy: -1047.866
where: short stacking energy: -446.185
Base-Backbone interact. energy: -0.376
local terms energy: -517.496114
where:
bonds (distance) C4'-P energy: -106.669
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -111.088
flat angles P-C4'-P energy: -77.223
tors. eta vs tors. theta energy: -120.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1393.634314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.634314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.634314 (E_RNA)
where:
Base-Base interactions energy: -914.330
where: short stacking energy: -374.425
Base-Backbone interact. energy: -2.434
local terms energy: -476.870281
where:
bonds (distance) C4'-P energy: -101.255
bonds (distance) P-C4' energy: -105.787
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: -86.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -955.930867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.930867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.930867 (E_RNA)
where:
Base-Base interactions energy: -559.885
where: short stacking energy: -255.415
Base-Backbone interact. energy: -2.327
local terms energy: -393.718868
where:
bonds (distance) C4'-P energy: -116.042
bonds (distance) P-C4' energy: -100.145
flat angles C4'-P-C4' energy: -98.381
flat angles P-C4'-P energy: -50.623
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -621.627388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.627388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.627388 (E_RNA)
where:
Base-Base interactions energy: -272.157
where: short stacking energy: -194.314
Base-Backbone interact. energy: -2.394
local terms energy: -347.076863
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -89.497
flat angles C4'-P-C4' energy: -92.880
flat angles P-C4'-P energy: -64.030
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -516.190431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.190431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.190431 (E_RNA)
where:
Base-Base interactions energy: -239.343
where: short stacking energy: -156.306
Base-Backbone interact. energy: 0.501
local terms energy: -277.349041
where:
bonds (distance) C4'-P energy: -104.895
bonds (distance) P-C4' energy: -87.208
flat angles C4'-P-C4' energy: -75.766
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: 19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2122.114788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.114788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.114788 (E_RNA)
where:
Base-Base interactions energy: -1471.881
where: short stacking energy: -595.512
Base-Backbone interact. energy: -1.920
local terms energy: -648.314197
where:
bonds (distance) C4'-P energy: -124.120
bonds (distance) P-C4' energy: -118.243
flat angles C4'-P-C4' energy: -137.993
flat angles P-C4'-P energy: -92.120
tors. eta vs tors. theta energy: -175.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2038.613779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.613779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.613779 (E_RNA)
where:
Base-Base interactions energy: -1376.850
where: short stacking energy: -577.602
Base-Backbone interact. energy: -3.197
local terms energy: -658.567207
where:
bonds (distance) C4'-P energy: -127.490
bonds (distance) P-C4' energy: -118.934
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -85.141
tors. eta vs tors. theta energy: -191.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2033.608626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.608626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.608626 (E_RNA)
where:
Base-Base interactions energy: -1392.213
where: short stacking energy: -549.890
Base-Backbone interact. energy: -0.774
local terms energy: -640.621803
where:
bonds (distance) C4'-P energy: -126.299
bonds (distance) P-C4' energy: -103.113
flat angles C4'-P-C4' energy: -140.960
flat angles P-C4'-P energy: -100.178
tors. eta vs tors. theta energy: -170.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1848.823639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.823639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.823639 (E_RNA)
where:
Base-Base interactions energy: -1236.125
where: short stacking energy: -536.617
Base-Backbone interact. energy: -0.912
local terms energy: -611.787379
where:
bonds (distance) C4'-P energy: -105.740
bonds (distance) P-C4' energy: -133.317
flat angles C4'-P-C4' energy: -123.785
flat angles P-C4'-P energy: -85.892
tors. eta vs tors. theta energy: -163.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1681.550904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.550904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.550904 (E_RNA)
where:
Base-Base interactions energy: -1125.111
where: short stacking energy: -486.306
Base-Backbone interact. energy: -0.023
local terms energy: -556.416936
where:
bonds (distance) C4'-P energy: -111.754
bonds (distance) P-C4' energy: -121.245
flat angles C4'-P-C4' energy: -125.535
flat angles P-C4'-P energy: -80.424
tors. eta vs tors. theta energy: -117.459
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: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1617.205686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.205686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.205686 (E_RNA)
where:
Base-Base interactions energy: -1067.697
where: short stacking energy: -457.239
Base-Backbone interact. energy: -3.496
local terms energy: -546.012469
where:
bonds (distance) C4'-P energy: -107.625
bonds (distance) P-C4' energy: -105.020
flat angles C4'-P-C4' energy: -109.585
flat angles P-C4'-P energy: -83.724
tors. eta vs tors. theta energy: -140.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1375.354595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.354595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.354595 (E_RNA)
where:
Base-Base interactions energy: -887.006
where: short stacking energy: -380.302
Base-Backbone interact. energy: -3.138
local terms energy: -485.211229
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -104.193
flat angles C4'-P-C4' energy: -106.266
flat angles P-C4'-P energy: -70.047
tors. eta vs tors. theta energy: -102.554
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: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -976.961525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.961525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.961525 (E_RNA)
where:
Base-Base interactions energy: -546.196
where: short stacking energy: -262.400
Base-Backbone interact. energy: -2.304
local terms energy: -428.461654
where:
bonds (distance) C4'-P energy: -100.795
bonds (distance) P-C4' energy: -113.957
flat angles C4'-P-C4' energy: -109.320
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -42.275
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -628.821061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.821061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.821061 (E_RNA)
where:
Base-Base interactions energy: -289.012
where: short stacking energy: -158.891
Base-Backbone interact. energy: 1.889
local terms energy: -341.697908
where:
bonds (distance) C4'-P energy: -93.063
bonds (distance) P-C4' energy: -112.128
flat angles C4'-P-C4' energy: -92.301
flat angles P-C4'-P energy: -57.844
tors. eta vs tors. theta energy: 13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -571.744059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.744059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.744059 (E_RNA)
where:
Base-Base interactions energy: -236.107
where: short stacking energy: -124.800
Base-Backbone interact. energy: -1.126
local terms energy: -334.511404
where:
bonds (distance) C4'-P energy: -87.643
bonds (distance) P-C4' energy: -98.352
flat angles C4'-P-C4' energy: -98.226
flat angles P-C4'-P energy: -52.887
tors. eta vs tors. theta energy: 2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2142.067999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.067999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.067999 (E_RNA)
where:
Base-Base interactions energy: -1512.114
where: short stacking energy: -612.719
Base-Backbone interact. energy: -2.286
local terms energy: -627.668101
where:
bonds (distance) C4'-P energy: -113.836
bonds (distance) P-C4' energy: -113.688
flat angles C4'-P-C4' energy: -137.515
flat angles P-C4'-P energy: -85.063
tors. eta vs tors. theta energy: -177.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2079.630089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.630089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.630089 (E_RNA)
where:
Base-Base interactions energy: -1432.893
where: short stacking energy: -610.460
Base-Backbone interact. energy: 1.670
local terms energy: -648.407298
where:
bonds (distance) C4'-P energy: -123.776
bonds (distance) P-C4' energy: -119.820
flat angles C4'-P-C4' energy: -134.567
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -186.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1985.631769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.631769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.631769 (E_RNA)
where:
Base-Base interactions energy: -1365.028
where: short stacking energy: -542.057
Base-Backbone interact. energy: -3.181
local terms energy: -617.423123
where:
bonds (distance) C4'-P energy: -128.886
bonds (distance) P-C4' energy: -111.726
flat angles C4'-P-C4' energy: -131.600
flat angles P-C4'-P energy: -82.225
tors. eta vs tors. theta energy: -162.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1844.193557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.193557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.193557 (E_RNA)
where:
Base-Base interactions energy: -1235.226
where: short stacking energy: -542.835
Base-Backbone interact. energy: -0.808
local terms energy: -608.158855
where:
bonds (distance) C4'-P energy: -115.609
bonds (distance) P-C4' energy: -107.403
flat angles C4'-P-C4' energy: -126.788
flat angles P-C4'-P energy: -95.611
tors. eta vs tors. theta energy: -162.749
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1693.778610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.778610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.778610 (E_RNA)
where:
Base-Base interactions energy: -1114.165
where: short stacking energy: -482.409
Base-Backbone interact. energy: -3.276
local terms energy: -576.337517
where:
bonds (distance) C4'-P energy: -111.594
bonds (distance) P-C4' energy: -123.795
flat angles C4'-P-C4' energy: -119.809
flat angles P-C4'-P energy: -70.312
tors. eta vs tors. theta energy: -150.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1663.173932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.173932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.173932 (E_RNA)
where:
Base-Base interactions energy: -1118.023
where: short stacking energy: -478.870
Base-Backbone interact. energy: -0.903
local terms energy: -544.247712
where:
bonds (distance) C4'-P energy: -108.416
bonds (distance) P-C4' energy: -101.815
flat angles C4'-P-C4' energy: -114.968
flat angles P-C4'-P energy: -74.523
tors. eta vs tors. theta energy: -144.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1320.453901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.453901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.453901 (E_RNA)
where:
Base-Base interactions energy: -841.856
where: short stacking energy: -380.262
Base-Backbone interact. energy: -1.772
local terms energy: -476.825915
where:
bonds (distance) C4'-P energy: -110.698
bonds (distance) P-C4' energy: -108.026
flat angles C4'-P-C4' energy: -97.100
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -86.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -937.241940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.241940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.241940 (E_RNA)
where:
Base-Base interactions energy: -577.986
where: short stacking energy: -274.659
Base-Backbone interact. energy: -3.005
local terms energy: -356.251249
where:
bonds (distance) C4'-P energy: -94.530
bonds (distance) P-C4' energy: -93.642
flat angles C4'-P-C4' energy: -90.721
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -606.605613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.605613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.605613 (E_RNA)
where:
Base-Base interactions energy: -272.620
where: short stacking energy: -173.819
Base-Backbone interact. energy: -1.729
local terms energy: -332.256240
where:
bonds (distance) C4'-P energy: -85.210
bonds (distance) P-C4' energy: -101.036
flat angles C4'-P-C4' energy: -95.761
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -563.020579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.020579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.020579 (E_RNA)
where:
Base-Base interactions energy: -238.098
where: short stacking energy: -147.975
Base-Backbone interact. energy: 2.962
local terms energy: -327.885311
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -120.540
flat angles C4'-P-C4' energy: -68.646
flat angles P-C4'-P energy: -55.084
tors. eta vs tors. theta energy: 8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2139.032971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.032971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.032971 (E_RNA)
where:
Base-Base interactions energy: -1488.457
where: short stacking energy: -615.503
Base-Backbone interact. energy: 0.742
local terms energy: -651.317717
where:
bonds (distance) C4'-P energy: -117.524
bonds (distance) P-C4' energy: -124.047
flat angles C4'-P-C4' energy: -138.633
flat angles P-C4'-P energy: -89.405
tors. eta vs tors. theta energy: -181.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2063.308862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.308862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.308862 (E_RNA)
where:
Base-Base interactions energy: -1409.567
where: short stacking energy: -609.640
Base-Backbone interact. energy: 1.068
local terms energy: -654.809823
where:
bonds (distance) C4'-P energy: -115.644
bonds (distance) P-C4' energy: -119.835
flat angles C4'-P-C4' energy: -138.654
flat angles P-C4'-P energy: -92.654
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: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1985.401983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.401983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.401983 (E_RNA)
where:
Base-Base interactions energy: -1406.835
where: short stacking energy: -538.012
Base-Backbone interact. energy: 0.883
local terms energy: -579.450233
where:
bonds (distance) C4'-P energy: -118.232
bonds (distance) P-C4' energy: -102.178
flat angles C4'-P-C4' energy: -128.494
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -153.710
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: 414
Temperature: 1.050000
Total energy: -1836.797953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.797953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.797953 (E_RNA)
where:
Base-Base interactions energy: -1238.220
where: short stacking energy: -518.774
Base-Backbone interact. energy: -2.266
local terms energy: -596.312234
where:
bonds (distance) C4'-P energy: -109.087
bonds (distance) P-C4' energy: -117.548
flat angles C4'-P-C4' energy: -133.511
flat angles P-C4'-P energy: -80.273
tors. eta vs tors. theta energy: -155.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1691.155167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.155167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.155167 (E_RNA)
where:
Base-Base interactions energy: -1146.816
where: short stacking energy: -497.623
Base-Backbone interact. energy: -1.384
local terms energy: -542.954982
where:
bonds (distance) C4'-P energy: -116.650
bonds (distance) P-C4' energy: -110.261
flat angles C4'-P-C4' energy: -112.108
flat angles P-C4'-P energy: -75.700
tors. eta vs tors. theta energy: -128.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1640.975763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.975763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.975763 (E_RNA)
where:
Base-Base interactions energy: -1096.914
where: short stacking energy: -453.460
Base-Backbone interact. energy: -2.198
local terms energy: -541.863406
where:
bonds (distance) C4'-P energy: -114.886
bonds (distance) P-C4' energy: -108.936
flat angles C4'-P-C4' energy: -111.170
flat angles P-C4'-P energy: -80.329
tors. eta vs tors. theta energy: -126.543
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: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1310.944235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.944235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.944235 (E_RNA)
where:
Base-Base interactions energy: -851.901
where: short stacking energy: -360.248
Base-Backbone interact. energy: -0.973
local terms energy: -458.069788
where:
bonds (distance) C4'-P energy: -83.347
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -73.772
tors. eta vs tors. theta energy: -76.161
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: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -942.834842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.834842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.834842 (E_RNA)
where:
Base-Base interactions energy: -538.747
where: short stacking energy: -250.623
Base-Backbone interact. energy: -2.642
local terms energy: -401.446521
where:
bonds (distance) C4'-P energy: -107.766
bonds (distance) P-C4' energy: -105.578
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -590.614812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.614812 (E_RNA)
where:
Base-Base interactions energy: -264.879
where: short stacking energy: -158.729
Base-Backbone interact. energy: 3.888
local terms energy: -329.622856
where:
bonds (distance) C4'-P energy: -94.684
bonds (distance) P-C4' energy: -108.381
flat angles C4'-P-C4' energy: -92.204
flat angles P-C4'-P energy: -62.624
tors. eta vs tors. theta energy: 28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -554.324557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.324557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.324557 (E_RNA)
where:
Base-Base interactions energy: -236.451
where: short stacking energy: -140.938
Base-Backbone interact. energy: -1.259
local terms energy: -316.614691
where:
bonds (distance) C4'-P energy: -97.298
bonds (distance) P-C4' energy: -98.227
flat angles C4'-P-C4' energy: -84.493
flat angles P-C4'-P energy: -52.925
tors. eta vs tors. theta energy: 16.328
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: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2165.174348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.174348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.174348 (E_RNA)
where:
Base-Base interactions energy: -1506.842
where: short stacking energy: -623.516
Base-Backbone interact. energy: -2.147
local terms energy: -656.185575
where:
bonds (distance) C4'-P energy: -110.459
bonds (distance) P-C4' energy: -119.681
flat angles C4'-P-C4' energy: -142.880
flat angles P-C4'-P energy: -95.316
tors. eta vs tors. theta energy: -187.849
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2034.932305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.932305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.932305 (E_RNA)
where:
Base-Base interactions energy: -1366.032
where: short stacking energy: -607.335
Base-Backbone interact. energy: -4.219
local terms energy: -664.681532
where:
bonds (distance) C4'-P energy: -119.985
bonds (distance) P-C4' energy: -126.118
flat angles C4'-P-C4' energy: -130.176
flat angles P-C4'-P energy: -93.932
tors. eta vs tors. theta energy: -194.471
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1966.538493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.538493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.538493 (E_RNA)
where:
Base-Base interactions energy: -1363.130
where: short stacking energy: -551.140
Base-Backbone interact. energy: -3.172
local terms energy: -600.237027
where:
bonds (distance) C4'-P energy: -114.403
bonds (distance) P-C4' energy: -122.848
flat angles C4'-P-C4' energy: -122.446
flat angles P-C4'-P energy: -76.620
tors. eta vs tors. theta energy: -163.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1851.720010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.720010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.720010 (E_RNA)
where:
Base-Base interactions energy: -1212.067
where: short stacking energy: -514.450
Base-Backbone interact. energy: 0.220
local terms energy: -639.872956
where:
bonds (distance) C4'-P energy: -122.672
bonds (distance) P-C4' energy: -119.231
flat angles C4'-P-C4' energy: -128.024
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -176.621
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: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1617.316890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.316890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.316890 (E_RNA)
where:
Base-Base interactions energy: -1064.481
where: short stacking energy: -447.617
Base-Backbone interact. energy: 0.308
local terms energy: -553.144374
where:
bonds (distance) C4'-P energy: -106.256
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -127.122
flat angles P-C4'-P energy: -83.470
tors. eta vs tors. theta energy: -120.983
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: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1642.850085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.850085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.850085 (E_RNA)
where:
Base-Base interactions energy: -1069.101
where: short stacking energy: -461.930
Base-Backbone interact. energy: 0.960
local terms energy: -574.708606
where:
bonds (distance) C4'-P energy: -116.522
bonds (distance) P-C4' energy: -108.576
flat angles C4'-P-C4' energy: -133.986
flat angles P-C4'-P energy: -72.093
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: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1311.018712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.018712 (E_RNA)
where:
Base-Base interactions energy: -844.851
where: short stacking energy: -351.667
Base-Backbone interact. energy: 3.933
local terms energy: -470.100902
where:
bonds (distance) C4'-P energy: -107.667
bonds (distance) P-C4' energy: -98.266
flat angles C4'-P-C4' energy: -110.854
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -80.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1004.417961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.417961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.417961 (E_RNA)
where:
Base-Base interactions energy: -597.194
where: short stacking energy: -277.029
Base-Backbone interact. energy: -0.422
local terms energy: -406.802563
where:
bonds (distance) C4'-P energy: -95.069
bonds (distance) P-C4' energy: -129.188
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -52.928
tors. eta vs tors. theta energy: -27.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -588.705738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.705738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.705738 (E_RNA)
where:
Base-Base interactions energy: -262.251
where: short stacking energy: -172.948
Base-Backbone interact. energy: 1.565
local terms energy: -328.019696
where:
bonds (distance) C4'-P energy: -106.068
bonds (distance) P-C4' energy: -101.366
flat angles C4'-P-C4' energy: -78.707
flat angles P-C4'-P energy: -51.939
tors. eta vs tors. theta energy: 10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -565.025385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.025385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.025385 (E_RNA)
where:
Base-Base interactions energy: -253.787
where: short stacking energy: -148.227
Base-Backbone interact. energy: -2.673
local terms energy: -308.565416
where:
bonds (distance) C4'-P energy: -93.171
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -75.067
flat angles P-C4'-P energy: -59.952
tors. eta vs tors. theta energy: 20.473
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: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2137.970543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.970543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.970543 (E_RNA)
where:
Base-Base interactions energy: -1492.170
where: short stacking energy: -602.573
Base-Backbone interact. energy: -4.196
local terms energy: -641.604715
where:
bonds (distance) C4'-P energy: -124.437
bonds (distance) P-C4' energy: -109.362
flat angles C4'-P-C4' energy: -139.321
flat angles P-C4'-P energy: -95.462
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: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2031.369011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.369011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.369011 (E_RNA)
where:
Base-Base interactions energy: -1384.488
where: short stacking energy: -595.412
Base-Backbone interact. energy: 0.877
local terms energy: -647.758614
where:
bonds (distance) C4'-P energy: -116.496
bonds (distance) P-C4' energy: -116.938
flat angles C4'-P-C4' energy: -139.810
flat angles P-C4'-P energy: -88.581
tors. eta vs tors. theta energy: -185.934
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: 416
Temperature: 1.000000
Total energy: -2005.722512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.722512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.722512 (E_RNA)
where:
Base-Base interactions energy: -1392.726
where: short stacking energy: -566.519
Base-Backbone interact. energy: -2.683
local terms energy: -610.313833
where:
bonds (distance) C4'-P energy: -103.281
bonds (distance) P-C4' energy: -110.361
flat angles C4'-P-C4' energy: -135.967
flat angles P-C4'-P energy: -94.169
tors. eta vs tors. theta energy: -166.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1828.664289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.664289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.664289 (E_RNA)
where:
Base-Base interactions energy: -1208.600
where: short stacking energy: -526.194
Base-Backbone interact. energy: 2.041
local terms energy: -622.105779
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -124.222
flat angles C4'-P-C4' energy: -122.469
flat angles P-C4'-P energy: -87.640
tors. eta vs tors. theta energy: -171.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1682.201203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.201203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.201203 (E_RNA)
where:
Base-Base interactions energy: -1121.063
where: short stacking energy: -486.050
Base-Backbone interact. energy: 0.549
local terms energy: -561.686958
where:
bonds (distance) C4'-P energy: -103.587
bonds (distance) P-C4' energy: -126.683
flat angles C4'-P-C4' energy: -112.158
flat angles P-C4'-P energy: -79.047
tors. eta vs tors. theta energy: -140.212
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1658.998295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.998295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.998295 (E_RNA)
where:
Base-Base interactions energy: -1119.931
where: short stacking energy: -460.672
Base-Backbone interact. energy: 0.639
local terms energy: -539.707082
where:
bonds (distance) C4'-P energy: -114.421
bonds (distance) P-C4' energy: -110.319
flat angles C4'-P-C4' energy: -119.312
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -128.509
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: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1314.831796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.831796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.831796 (E_RNA)
where:
Base-Base interactions energy: -891.206
where: short stacking energy: -389.305
Base-Backbone interact. energy: 1.601
local terms energy: -425.226905
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -93.216
flat angles C4'-P-C4' energy: -90.278
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -91.914
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -964.472846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.472846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.472846 (E_RNA)
where:
Base-Base interactions energy: -559.884
where: short stacking energy: -261.154
Base-Backbone interact. energy: -0.859
local terms energy: -403.729743
where:
bonds (distance) C4'-P energy: -103.614
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -103.434
flat angles P-C4'-P energy: -68.729
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -653.029857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.029857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.029857 (E_RNA)
where:
Base-Base interactions energy: -335.802
where: short stacking energy: -164.785
Base-Backbone interact. energy: -2.044
local terms energy: -315.183820
where:
bonds (distance) C4'-P energy: -92.862
bonds (distance) P-C4' energy: -95.884
flat angles C4'-P-C4' energy: -96.132
flat angles P-C4'-P energy: -49.586
tors. eta vs tors. theta energy: 19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -571.564717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.564717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.564717 (E_RNA)
where:
Base-Base interactions energy: -257.574
where: short stacking energy: -160.318
Base-Backbone interact. energy: -1.829
local terms energy: -312.161244
where:
bonds (distance) C4'-P energy: -94.509
bonds (distance) P-C4' energy: -96.140
flat angles C4'-P-C4' energy: -79.278
flat angles P-C4'-P energy: -39.467
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2145.439797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.439797 (E_RNA)
where:
Base-Base interactions energy: -1507.106
where: short stacking energy: -612.653
Base-Backbone interact. energy: -2.008
local terms energy: -636.326100
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -105.378
flat angles C4'-P-C4' energy: -143.272
flat angles P-C4'-P energy: -83.635
tors. eta vs tors. theta energy: -175.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1984.178757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.178757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.178757 (E_RNA)
where:
Base-Base interactions energy: -1348.131
where: short stacking energy: -550.272
Base-Backbone interact. energy: -1.946
local terms energy: -634.102369
where:
bonds (distance) C4'-P energy: -124.272
bonds (distance) P-C4' energy: -121.163
flat angles C4'-P-C4' energy: -127.306
flat angles P-C4'-P energy: -94.103
tors. eta vs tors. theta energy: -167.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1967.382984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.382984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.382984 (E_RNA)
where:
Base-Base interactions energy: -1349.437
where: short stacking energy: -544.832
Base-Backbone interact. energy: -0.421
local terms energy: -617.525495
where:
bonds (distance) C4'-P energy: -117.474
bonds (distance) P-C4' energy: -122.358
flat angles C4'-P-C4' energy: -129.640
flat angles P-C4'-P energy: -83.025
tors. eta vs tors. theta energy: -165.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1845.032353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.032353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.032353 (E_RNA)
where:
Base-Base interactions energy: -1229.906
where: short stacking energy: -541.872
Base-Backbone interact. energy: -3.141
local terms energy: -611.984931
where:
bonds (distance) C4'-P energy: -108.801
bonds (distance) P-C4' energy: -111.955
flat angles C4'-P-C4' energy: -131.148
flat angles P-C4'-P energy: -84.773
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: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1733.794838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.794838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.794838 (E_RNA)
where:
Base-Base interactions energy: -1170.826
where: short stacking energy: -487.542
Base-Backbone interact. energy: -3.177
local terms energy: -559.791831
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -104.274
flat angles C4'-P-C4' energy: -115.733
flat angles P-C4'-P energy: -80.634
tors. eta vs tors. theta energy: -144.346
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1671.598855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.598855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.598855 (E_RNA)
where:
Base-Base interactions energy: -1136.558
where: short stacking energy: -471.118
Base-Backbone interact. energy: -2.151
local terms energy: -532.890149
where:
bonds (distance) C4'-P energy: -100.431
bonds (distance) P-C4' energy: -97.169
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -76.648
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: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1285.724201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.724201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.724201 (E_RNA)
where:
Base-Base interactions energy: -820.923
where: short stacking energy: -351.428
Base-Backbone interact. energy: 1.038
local terms energy: -465.838508
where:
bonds (distance) C4'-P energy: -99.081
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -116.539
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -72.436
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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1015.611091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.611091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.611091 (E_RNA)
where:
Base-Base interactions energy: -602.792
where: short stacking energy: -262.223
Base-Backbone interact. energy: -0.541
local terms energy: -412.278128
where:
bonds (distance) C4'-P energy: -115.949
bonds (distance) P-C4' energy: -113.292
flat angles C4'-P-C4' energy: -86.956
flat angles P-C4'-P energy: -62.593
tors. eta vs tors. theta energy: -33.488
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: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -575.449473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.449473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.449473 (E_RNA)
where:
Base-Base interactions energy: -245.880
where: short stacking energy: -147.198
Base-Backbone interact. energy: 0.227
local terms energy: -329.796477
where:
bonds (distance) C4'-P energy: -92.642
bonds (distance) P-C4' energy: -101.152
flat angles C4'-P-C4' energy: -98.682
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: 14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -550.977814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.977814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.977814 (E_RNA)
where:
Base-Base interactions energy: -217.402
where: short stacking energy: -143.326
Base-Backbone interact. energy: -3.640
local terms energy: -329.935970
where:
bonds (distance) C4'-P energy: -89.689
bonds (distance) P-C4' energy: -105.947
flat angles C4'-P-C4' energy: -92.232
flat angles P-C4'-P energy: -53.836
tors. eta vs tors. theta energy: 11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2159.900105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.900105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.900105 (E_RNA)
where:
Base-Base interactions energy: -1491.213
where: short stacking energy: -608.665
Base-Backbone interact. energy: 2.529
local terms energy: -671.215963
where:
bonds (distance) C4'-P energy: -120.913
bonds (distance) P-C4' energy: -120.238
flat angles C4'-P-C4' energy: -149.115
flat angles P-C4'-P energy: -102.630
tors. eta vs tors. theta energy: -178.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2035.308913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.308913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.308913 (E_RNA)
where:
Base-Base interactions energy: -1387.561
where: short stacking energy: -583.744
Base-Backbone interact. energy: -2.194
local terms energy: -645.553923
where:
bonds (distance) C4'-P energy: -123.179
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -135.383
flat angles P-C4'-P energy: -96.895
tors. eta vs tors. theta energy: -184.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2002.216977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.216977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.216977 (E_RNA)
where:
Base-Base interactions energy: -1395.778
where: short stacking energy: -574.907
Base-Backbone interact. energy: -2.666
local terms energy: -603.773104
where:
bonds (distance) C4'-P energy: -108.891
bonds (distance) P-C4' energy: -106.352
flat angles C4'-P-C4' energy: -125.974
flat angles P-C4'-P energy: -88.381
tors. eta vs tors. theta energy: -174.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1815.886380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.886380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.886380 (E_RNA)
where:
Base-Base interactions energy: -1223.725
where: short stacking energy: -531.421
Base-Backbone interact. energy: -1.534
local terms energy: -590.626791
where:
bonds (distance) C4'-P energy: -104.326
bonds (distance) P-C4' energy: -104.020
flat angles C4'-P-C4' energy: -129.809
flat angles P-C4'-P energy: -88.481
tors. eta vs tors. theta energy: -163.991
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: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1743.012644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.012644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.012644 (E_RNA)
where:
Base-Base interactions energy: -1177.171
where: short stacking energy: -516.313
Base-Backbone interact. energy: -3.494
local terms energy: -562.348272
where:
bonds (distance) C4'-P energy: -109.837
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -123.608
flat angles P-C4'-P energy: -73.413
tors. eta vs tors. theta energy: -143.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1658.970314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.970314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.970314 (E_RNA)
where:
Base-Base interactions energy: -1120.904
where: short stacking energy: -469.535
Base-Backbone interact. energy: -0.663
local terms energy: -537.404161
where:
bonds (distance) C4'-P energy: -115.377
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -102.992
flat angles P-C4'-P energy: -86.855
tors. eta vs tors. theta energy: -125.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1363.562904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.562904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.562904 (E_RNA)
where:
Base-Base interactions energy: -871.874
where: short stacking energy: -402.927
Base-Backbone interact. energy: -1.620
local terms energy: -490.069027
where:
bonds (distance) C4'-P energy: -96.754
bonds (distance) P-C4' energy: -118.288
flat angles C4'-P-C4' energy: -114.540
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -85.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -979.505028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.505028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.505028 (E_RNA)
where:
Base-Base interactions energy: -583.561
where: short stacking energy: -262.451
Base-Backbone interact. energy: 1.366
local terms energy: -397.309428
where:
bonds (distance) C4'-P energy: -99.489
bonds (distance) P-C4' energy: -101.187
flat angles C4'-P-C4' energy: -107.894
flat angles P-C4'-P energy: -46.964
tors. eta vs tors. theta energy: -41.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -604.226254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.226254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.226254 (E_RNA)
where:
Base-Base interactions energy: -257.897
where: short stacking energy: -154.660
Base-Backbone interact. energy: 0.392
local terms energy: -346.720897
where:
bonds (distance) C4'-P energy: -90.169
bonds (distance) P-C4' energy: -113.338
flat angles C4'-P-C4' energy: -95.422
flat angles P-C4'-P energy: -66.525
tors. eta vs tors. theta energy: 18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -548.595637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.595637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.595637 (E_RNA)
where:
Base-Base interactions energy: -236.687
where: short stacking energy: -154.061
Base-Backbone interact. energy: -2.061
local terms energy: -309.847408
where:
bonds (distance) C4'-P energy: -105.361
bonds (distance) P-C4' energy: -94.127
flat angles C4'-P-C4' energy: -81.850
flat angles P-C4'-P energy: -43.442
tors. eta vs tors. theta energy: 14.932
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: 419
Temperature: 0.900000
Total energy: -2157.539720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.539720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.539720 (E_RNA)
where:
Base-Base interactions energy: -1495.331
where: short stacking energy: -625.942
Base-Backbone interact. energy: -3.960
local terms energy: -658.248526
where:
bonds (distance) C4'-P energy: -124.576
bonds (distance) P-C4' energy: -125.148
flat angles C4'-P-C4' energy: -142.556
flat angles P-C4'-P energy: -87.022
tors. eta vs tors. theta energy: -178.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2056.951772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.951772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.951772 (E_RNA)
where:
Base-Base interactions energy: -1408.646
where: short stacking energy: -583.081
Base-Backbone interact. energy: -0.429
local terms energy: -647.876310
where:
bonds (distance) C4'-P energy: -112.587
bonds (distance) P-C4' energy: -121.795
flat angles C4'-P-C4' energy: -118.993
flat angles P-C4'-P energy: -106.318
tors. eta vs tors. theta energy: -188.184
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2018.296869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.296869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.296869 (E_RNA)
where:
Base-Base interactions energy: -1392.121
where: short stacking energy: -566.061
Base-Backbone interact. energy: -0.717
local terms energy: -625.459087
where:
bonds (distance) C4'-P energy: -118.153
bonds (distance) P-C4' energy: -123.997
flat angles C4'-P-C4' energy: -131.253
flat angles P-C4'-P energy: -80.142
tors. eta vs tors. theta energy: -171.915
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1800.152966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.152966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.152966 (E_RNA)
where:
Base-Base interactions energy: -1235.670
where: short stacking energy: -534.165
Base-Backbone interact. energy: 3.806
local terms energy: -568.288521
where:
bonds (distance) C4'-P energy: -111.162
bonds (distance) P-C4' energy: -112.841
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -155.514
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: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1692.355201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.355201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.355201 (E_RNA)
where:
Base-Base interactions energy: -1133.503
where: short stacking energy: -486.333
Base-Backbone interact. energy: -2.022
local terms energy: -556.830072
where:
bonds (distance) C4'-P energy: -99.635
bonds (distance) P-C4' energy: -126.234
flat angles C4'-P-C4' energy: -118.933
flat angles P-C4'-P energy: -69.288
tors. eta vs tors. theta energy: -142.739
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: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1562.153883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.153883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.153883 (E_RNA)
where:
Base-Base interactions energy: -1035.761
where: short stacking energy: -421.832
Base-Backbone interact. energy: -2.407
local terms energy: -523.986082
where:
bonds (distance) C4'-P energy: -107.367
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -71.747
tors. eta vs tors. theta energy: -112.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1348.004499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.004499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.004499 (E_RNA)
where:
Base-Base interactions energy: -908.846
where: short stacking energy: -381.679
Base-Backbone interact. energy: -2.472
local terms energy: -436.686487
where:
bonds (distance) C4'-P energy: -85.529
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -113.968
flat angles P-C4'-P energy: -60.689
tors. eta vs tors. theta energy: -85.759
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: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -888.910940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.910940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.910940 (E_RNA)
where:
Base-Base interactions energy: -503.981
where: short stacking energy: -244.062
Base-Backbone interact. energy: -1.255
local terms energy: -383.675091
where:
bonds (distance) C4'-P energy: -91.423
bonds (distance) P-C4' energy: -102.692
flat angles C4'-P-C4' energy: -92.155
flat angles P-C4'-P energy: -66.319
tors. eta vs tors. theta energy: -31.086
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: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -592.178619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.178619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.178619 (E_RNA)
where:
Base-Base interactions energy: -272.771
where: short stacking energy: -180.874
Base-Backbone interact. energy: 3.552
local terms energy: -322.959698
where:
bonds (distance) C4'-P energy: -100.552
bonds (distance) P-C4' energy: -88.647
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -66.249
tors. eta vs tors. theta energy: 6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -515.473068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.473068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.473068 (E_RNA)
where:
Base-Base interactions energy: -187.731
where: short stacking energy: -141.165
Base-Backbone interact. energy: 0.549
local terms energy: -328.291897
where:
bonds (distance) C4'-P energy: -98.826
bonds (distance) P-C4' energy: -94.561
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: 13.802
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: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2160.697135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.697135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.697135 (E_RNA)
where:
Base-Base interactions energy: -1491.324
where: short stacking energy: -621.235
Base-Backbone interact. energy: -3.218
local terms energy: -666.155872
where:
bonds (distance) C4'-P energy: -124.840
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -140.968
flat angles P-C4'-P energy: -94.901
tors. eta vs tors. theta energy: -186.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2066.304424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.304424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.304424 (E_RNA)
where:
Base-Base interactions energy: -1401.605
where: short stacking energy: -574.753
Base-Backbone interact. energy: -4.292
local terms energy: -660.407425
where:
bonds (distance) C4'-P energy: -117.143
bonds (distance) P-C4' energy: -123.445
flat angles C4'-P-C4' energy: -141.731
flat angles P-C4'-P energy: -95.364
tors. eta vs tors. theta energy: -182.724
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: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2026.544639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.544639 (E_RNA)
where:
Base-Base interactions energy: -1386.572
where: short stacking energy: -562.541
Base-Backbone interact. energy: -4.284
local terms energy: -635.688813
where:
bonds (distance) C4'-P energy: -118.280
bonds (distance) P-C4' energy: -125.433
flat angles C4'-P-C4' energy: -127.632
flat angles P-C4'-P energy: -89.692
tors. eta vs tors. theta energy: -174.652
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: 420
Temperature: 1.050000
Total energy: -1839.632844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.632844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.632844 (E_RNA)
where:
Base-Base interactions energy: -1246.036
where: short stacking energy: -516.468
Base-Backbone interact. energy: 2.806
local terms energy: -596.402053
where:
bonds (distance) C4'-P energy: -100.992
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -135.149
flat angles P-C4'-P energy: -87.425
tors. eta vs tors. theta energy: -160.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1692.373937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.373937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.373937 (E_RNA)
where:
Base-Base interactions energy: -1151.722
where: short stacking energy: -475.253
Base-Backbone interact. energy: -2.168
local terms energy: -538.484075
where:
bonds (distance) C4'-P energy: -126.187
bonds (distance) P-C4' energy: -104.344
flat angles C4'-P-C4' energy: -103.961
flat angles P-C4'-P energy: -78.576
tors. eta vs tors. theta energy: -125.416
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: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1566.332700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.332700 (E_RNA)
where:
Base-Base interactions energy: -1030.555
where: short stacking energy: -434.836
Base-Backbone interact. energy: 1.563
local terms energy: -537.340980
where:
bonds (distance) C4'-P energy: -104.328
bonds (distance) P-C4' energy: -121.910
flat angles C4'-P-C4' energy: -123.513
flat angles P-C4'-P energy: -76.691
tors. eta vs tors. theta energy: -110.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1326.961202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.961202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.961202 (E_RNA)
where:
Base-Base interactions energy: -882.551
where: short stacking energy: -406.910
Base-Backbone interact. energy: -3.130
local terms energy: -441.280164
where:
bonds (distance) C4'-P energy: -80.265
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -118.472
flat angles P-C4'-P energy: -66.314
tors. eta vs tors. theta energy: -90.253
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: 420
Temperature: 1.250000
Total energy: -987.289043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.289043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.289043 (E_RNA)
where:
Base-Base interactions energy: -584.528
where: short stacking energy: -240.212
Base-Backbone interact. energy: -0.661
local terms energy: -402.100391
where:
bonds (distance) C4'-P energy: -90.602
bonds (distance) P-C4' energy: -102.543
flat angles C4'-P-C4' energy: -107.729
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -37.338
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: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -604.085609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.085609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.085609 (E_RNA)
where:
Base-Base interactions energy: -272.686
where: short stacking energy: -164.052
Base-Backbone interact. energy: 3.332
local terms energy: -334.731887
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -109.820
flat angles C4'-P-C4' energy: -76.652
flat angles P-C4'-P energy: -59.089
tors. eta vs tors. theta energy: 4.841
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: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -503.159870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.159870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.159870 (E_RNA)
where:
Base-Base interactions energy: -181.307
where: short stacking energy: -129.596
Base-Backbone interact. energy: -2.125
local terms energy: -319.728600
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -84.471
flat angles C4'-P-C4' energy: -92.460
flat angles P-C4'-P energy: -64.799
tors. eta vs tors. theta energy: 14.494
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: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2176.683491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.683491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.683491 (E_RNA)
where:
Base-Base interactions energy: -1498.347
where: short stacking energy: -632.226
Base-Backbone interact. energy: -2.217
local terms energy: -676.119598
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -117.497
flat angles C4'-P-C4' energy: -138.412
flat angles P-C4'-P energy: -111.616
tors. eta vs tors. theta energy: -184.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2060.919661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.919661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.919661 (E_RNA)
where:
Base-Base interactions energy: -1431.964
where: short stacking energy: -598.470
Base-Backbone interact. energy: -1.878
local terms energy: -627.078219
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -122.516
flat angles C4'-P-C4' energy: -134.027
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -193.607
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: 421
Temperature: 1.000000
Total energy: -2011.837234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.837234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.837234 (E_RNA)
where:
Base-Base interactions energy: -1396.662
where: short stacking energy: -552.273
Base-Backbone interact. energy: -2.005
local terms energy: -613.170427
where:
bonds (distance) C4'-P energy: -113.572
bonds (distance) P-C4' energy: -117.329
flat angles C4'-P-C4' energy: -127.773
flat angles P-C4'-P energy: -81.548
tors. eta vs tors. theta energy: -172.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1845.794459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.794459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.794459 (E_RNA)
where:
Base-Base interactions energy: -1233.764
where: short stacking energy: -519.427
Base-Backbone interact. energy: 0.097
local terms energy: -612.128147
where:
bonds (distance) C4'-P energy: -117.907
bonds (distance) P-C4' energy: -121.840
flat angles C4'-P-C4' energy: -134.798
flat angles P-C4'-P energy: -86.735
tors. eta vs tors. theta energy: -150.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1703.142926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.142926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.142926 (E_RNA)
where:
Base-Base interactions energy: -1124.344
where: short stacking energy: -450.985
Base-Backbone interact. energy: -4.132
local terms energy: -574.667195
where:
bonds (distance) C4'-P energy: -106.505
bonds (distance) P-C4' energy: -136.705
flat angles C4'-P-C4' energy: -113.027
flat angles P-C4'-P energy: -81.793
tors. eta vs tors. theta energy: -136.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1522.884404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.884404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.884404 (E_RNA)
where:
Base-Base interactions energy: -1019.151
where: short stacking energy: -423.087
Base-Backbone interact. energy: -2.973
local terms energy: -500.760455
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -123.102
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -61.448
tors. eta vs tors. theta energy: -111.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1355.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.668414 (E_RNA)
where:
Base-Base interactions energy: -894.719
where: short stacking energy: -380.535
Base-Backbone interact. energy: 0.824
local terms energy: -461.772658
where:
bonds (distance) C4'-P energy: -98.398
bonds (distance) P-C4' energy: -107.739
flat angles C4'-P-C4' energy: -88.393
flat angles P-C4'-P energy: -80.386
tors. eta vs tors. theta energy: -86.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -988.602300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.602300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.602300 (E_RNA)
where:
Base-Base interactions energy: -589.139
where: short stacking energy: -269.690
Base-Backbone interact. energy: 3.462
local terms energy: -402.925051
where:
bonds (distance) C4'-P energy: -112.838
bonds (distance) P-C4' energy: -103.564
flat angles C4'-P-C4' energy: -92.206
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -26.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -608.937324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.937324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.937324 (E_RNA)
where:
Base-Base interactions energy: -276.823
where: short stacking energy: -179.588
Base-Backbone interact. energy: -2.931
local terms energy: -329.183278
where:
bonds (distance) C4'-P energy: -99.266
bonds (distance) P-C4' energy: -90.235
flat angles C4'-P-C4' energy: -87.015
flat angles P-C4'-P energy: -55.332
tors. eta vs tors. theta energy: 2.664
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: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -475.976230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.976230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.976230 (E_RNA)
where:
Base-Base interactions energy: -198.877
where: short stacking energy: -135.421
Base-Backbone interact. energy: 1.158
local terms energy: -278.256587
where:
bonds (distance) C4'-P energy: -82.583
bonds (distance) P-C4' energy: -86.665
flat angles C4'-P-C4' energy: -99.724
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: 40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2152.550695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.550695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.550695 (E_RNA)
where:
Base-Base interactions energy: -1493.838
where: short stacking energy: -609.336
Base-Backbone interact. energy: 0.010
local terms energy: -658.723250
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -124.107
flat angles C4'-P-C4' energy: -138.716
flat angles P-C4'-P energy: -93.874
tors. eta vs tors. theta energy: -179.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2063.877936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.877936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.877936 (E_RNA)
where:
Base-Base interactions energy: -1413.153
where: short stacking energy: -594.057
Base-Backbone interact. energy: -2.212
local terms energy: -648.513373
where:
bonds (distance) C4'-P energy: -118.860
bonds (distance) P-C4' energy: -107.932
flat angles C4'-P-C4' energy: -138.338
flat angles P-C4'-P energy: -97.090
tors. eta vs tors. theta energy: -186.294
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2007.142052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.142052 (E_RNA)
where:
Base-Base interactions energy: -1388.517
where: short stacking energy: -554.578
Base-Backbone interact. energy: -0.950
local terms energy: -617.675810
where:
bonds (distance) C4'-P energy: -110.298
bonds (distance) P-C4' energy: -108.994
flat angles C4'-P-C4' energy: -139.745
flat angles P-C4'-P energy: -82.478
tors. eta vs tors. theta energy: -176.162
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: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1836.556578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.556578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.556578 (E_RNA)
where:
Base-Base interactions energy: -1210.641
where: short stacking energy: -526.416
Base-Backbone interact. energy: -0.593
local terms energy: -625.322278
where:
bonds (distance) C4'-P energy: -108.844
bonds (distance) P-C4' energy: -123.211
flat angles C4'-P-C4' energy: -136.885
flat angles P-C4'-P energy: -93.896
tors. eta vs tors. theta energy: -162.486
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1706.202581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.202581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.202581 (E_RNA)
where:
Base-Base interactions energy: -1181.190
where: short stacking energy: -493.388
Base-Backbone interact. energy: 0.160
local terms energy: -525.172493
where:
bonds (distance) C4'-P energy: -92.510
bonds (distance) P-C4' energy: -113.119
flat angles C4'-P-C4' energy: -108.818
flat angles P-C4'-P energy: -70.442
tors. eta vs tors. theta energy: -140.284
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: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1553.203016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.203016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.203016 (E_RNA)
where:
Base-Base interactions energy: -1034.076
where: short stacking energy: -429.185
Base-Backbone interact. energy: 0.009
local terms energy: -519.136215
where:
bonds (distance) C4'-P energy: -101.992
bonds (distance) P-C4' energy: -98.891
flat angles C4'-P-C4' energy: -116.912
flat angles P-C4'-P energy: -81.071
tors. eta vs tors. theta energy: -120.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1407.678990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.678990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.678990 (E_RNA)
where:
Base-Base interactions energy: -934.251
where: short stacking energy: -389.171
Base-Backbone interact. energy: 0.115
local terms energy: -473.543535
where:
bonds (distance) C4'-P energy: -103.920
bonds (distance) P-C4' energy: -106.698
flat angles C4'-P-C4' energy: -103.731
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -102.524
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: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1002.986252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.986252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.986252 (E_RNA)
where:
Base-Base interactions energy: -577.323
where: short stacking energy: -266.816
Base-Backbone interact. energy: -0.025
local terms energy: -425.637718
where:
bonds (distance) C4'-P energy: -116.707
bonds (distance) P-C4' energy: -112.400
flat angles C4'-P-C4' energy: -114.778
flat angles P-C4'-P energy: -49.675
tors. eta vs tors. theta energy: -32.077
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: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -621.680679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.680679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.680679 (E_RNA)
where:
Base-Base interactions energy: -283.136
where: short stacking energy: -182.468
Base-Backbone interact. energy: 1.247
local terms energy: -339.791605
where:
bonds (distance) C4'-P energy: -96.562
bonds (distance) P-C4' energy: -116.723
flat angles C4'-P-C4' energy: -91.347
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: 7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -471.390932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.390932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.390932 (E_RNA)
where:
Base-Base interactions energy: -166.674
where: short stacking energy: -127.065
Base-Backbone interact. energy: 9.837
local terms energy: -314.553930
where:
bonds (distance) C4'-P energy: -106.088
bonds (distance) P-C4' energy: -115.546
flat angles C4'-P-C4' energy: -96.541
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: 39.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2159.111407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.111407 (E_RNA)
where:
Base-Base interactions energy: -1508.908
where: short stacking energy: -616.308
Base-Backbone interact. energy: -2.566
local terms energy: -647.637438
where:
bonds (distance) C4'-P energy: -102.290
bonds (distance) P-C4' energy: -120.184
flat angles C4'-P-C4' energy: -143.021
flat angles P-C4'-P energy: -102.761
tors. eta vs tors. theta energy: -179.381
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2053.886009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.886009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.886009 (E_RNA)
where:
Base-Base interactions energy: -1410.775
where: short stacking energy: -584.175
Base-Backbone interact. energy: -1.590
local terms energy: -641.520990
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -112.886
flat angles C4'-P-C4' energy: -133.051
flat angles P-C4'-P energy: -96.771
tors. eta vs tors. theta energy: -179.410
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: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1950.552168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.552168 (E_RNA)
where:
Base-Base interactions energy: -1360.616
where: short stacking energy: -539.762
Base-Backbone interact. energy: -3.833
local terms energy: -586.103330
where:
bonds (distance) C4'-P energy: -129.523
bonds (distance) P-C4' energy: -103.542
flat angles C4'-P-C4' energy: -123.140
flat angles P-C4'-P energy: -66.396
tors. eta vs tors. theta energy: -163.501
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1828.773754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.773754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.773754 (E_RNA)
where:
Base-Base interactions energy: -1210.249
where: short stacking energy: -512.985
Base-Backbone interact. energy: -0.634
local terms energy: -617.890294
where:
bonds (distance) C4'-P energy: -114.512
bonds (distance) P-C4' energy: -120.293
flat angles C4'-P-C4' energy: -137.539
flat angles P-C4'-P energy: -81.349
tors. eta vs tors. theta energy: -164.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1691.283616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.283616 (E_RNA)
where:
Base-Base interactions energy: -1145.648
where: short stacking energy: -463.475
Base-Backbone interact. energy: -2.987
local terms energy: -542.647874
where:
bonds (distance) C4'-P energy: -107.636
bonds (distance) P-C4' energy: -117.774
flat angles C4'-P-C4' energy: -118.281
flat angles P-C4'-P energy: -68.272
tors. eta vs tors. theta energy: -130.686
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: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1575.554109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.554109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.554109 (E_RNA)
where:
Base-Base interactions energy: -1053.212
where: short stacking energy: -451.856
Base-Backbone interact. energy: 1.279
local terms energy: -523.621188
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -110.907
flat angles C4'-P-C4' energy: -110.971
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -110.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1394.772865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.772865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.772865 (E_RNA)
where:
Base-Base interactions energy: -895.164
where: short stacking energy: -377.244
Base-Backbone interact. energy: -2.129
local terms energy: -497.479785
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -100.876
flat angles C4'-P-C4' energy: -119.826
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -98.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -990.058181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.058181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.058181 (E_RNA)
where:
Base-Base interactions energy: -563.706
where: short stacking energy: -272.927
Base-Backbone interact. energy: -0.610
local terms energy: -425.741664
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -106.381
flat angles C4'-P-C4' energy: -102.656
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -39.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -624.891466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.891466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.891466 (E_RNA)
where:
Base-Base interactions energy: -274.101
where: short stacking energy: -171.900
Base-Backbone interact. energy: -2.000
local terms energy: -348.790376
where:
bonds (distance) C4'-P energy: -96.792
bonds (distance) P-C4' energy: -95.197
flat angles C4'-P-C4' energy: -100.743
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -458.620563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.620563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.620563 (E_RNA)
where:
Base-Base interactions energy: -174.535
where: short stacking energy: -107.340
Base-Backbone interact. energy: 5.535
local terms energy: -289.620369
where:
bonds (distance) C4'-P energy: -90.044
bonds (distance) P-C4' energy: -115.552
flat angles C4'-P-C4' energy: -87.002
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: 35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2139.100593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.100593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.100593 (E_RNA)
where:
Base-Base interactions energy: -1496.094
where: short stacking energy: -640.581
Base-Backbone interact. energy: 0.340
local terms energy: -643.346886
where:
bonds (distance) C4'-P energy: -107.708
bonds (distance) P-C4' energy: -120.559
flat angles C4'-P-C4' energy: -136.971
flat angles P-C4'-P energy: -95.620
tors. eta vs tors. theta energy: -182.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2100.850307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.850307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.850307 (E_RNA)
where:
Base-Base interactions energy: -1439.786
where: short stacking energy: -580.080
Base-Backbone interact. energy: -3.398
local terms energy: -657.666489
where:
bonds (distance) C4'-P energy: -123.396
bonds (distance) P-C4' energy: -124.213
flat angles C4'-P-C4' energy: -132.507
flat angles P-C4'-P energy: -96.225
tors. eta vs tors. theta energy: -181.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1970.724709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.724709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.724709 (E_RNA)
where:
Base-Base interactions energy: -1352.295
where: short stacking energy: -564.060
Base-Backbone interact. energy: -4.903
local terms energy: -613.527156
where:
bonds (distance) C4'-P energy: -118.147
bonds (distance) P-C4' energy: -107.655
flat angles C4'-P-C4' energy: -136.444
flat angles P-C4'-P energy: -85.285
tors. eta vs tors. theta energy: -165.996
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: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1861.286664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.286664 (E_RNA)
where:
Base-Base interactions energy: -1248.918
where: short stacking energy: -540.555
Base-Backbone interact. energy: -2.539
local terms energy: -609.829035
where:
bonds (distance) C4'-P energy: -108.266
bonds (distance) P-C4' energy: -118.135
flat angles C4'-P-C4' energy: -126.456
flat angles P-C4'-P energy: -97.129
tors. eta vs tors. theta energy: -159.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1697.035854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.035854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.035854 (E_RNA)
where:
Base-Base interactions energy: -1160.693
where: short stacking energy: -479.793
Base-Backbone interact. energy: 2.269
local terms energy: -538.612478
where:
bonds (distance) C4'-P energy: -112.520
bonds (distance) P-C4' energy: -100.820
flat angles C4'-P-C4' energy: -109.688
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -134.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1650.453767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.453767 (E_RNA)
where:
Base-Base interactions energy: -1122.605
where: short stacking energy: -459.037
Base-Backbone interact. energy: -4.753
local terms energy: -523.095019
where:
bonds (distance) C4'-P energy: -82.523
bonds (distance) P-C4' energy: -119.509
flat angles C4'-P-C4' energy: -129.008
flat angles P-C4'-P energy: -71.252
tors. eta vs tors. theta energy: -120.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1435.012894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.012894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.012894 (E_RNA)
where:
Base-Base interactions energy: -944.606
where: short stacking energy: -417.958
Base-Backbone interact. energy: 2.011
local terms energy: -492.418038
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -97.850
flat angles P-C4'-P energy: -78.391
tors. eta vs tors. theta energy: -113.284
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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -974.541754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.541754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.541754 (E_RNA)
where:
Base-Base interactions energy: -560.810
where: short stacking energy: -277.887
Base-Backbone interact. energy: -0.499
local terms energy: -413.231974
where:
bonds (distance) C4'-P energy: -109.806
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -96.453
flat angles P-C4'-P energy: -54.695
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -607.789719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.789719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.789719 (E_RNA)
where:
Base-Base interactions energy: -255.155
where: short stacking energy: -162.782
Base-Backbone interact. energy: -0.537
local terms energy: -352.098388
where:
bonds (distance) C4'-P energy: -111.732
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -92.255
flat angles P-C4'-P energy: -41.565
tors. eta vs tors. theta energy: 4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -439.169703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.169703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.169703 (E_RNA)
where:
Base-Base interactions energy: -139.332
where: short stacking energy: -115.907
Base-Backbone interact. energy: 1.441
local terms energy: -301.279004
where:
bonds (distance) C4'-P energy: -109.030
bonds (distance) P-C4' energy: -110.169
flat angles C4'-P-C4' energy: -71.436
flat angles P-C4'-P energy: -41.927
tors. eta vs tors. theta energy: 31.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2153.882772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.882772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.882772 (E_RNA)
where:
Base-Base interactions energy: -1485.375
where: short stacking energy: -635.514
Base-Backbone interact. energy: -2.748
local terms energy: -665.759596
where:
bonds (distance) C4'-P energy: -122.386
bonds (distance) P-C4' energy: -123.347
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -98.789
tors. eta vs tors. theta energy: -181.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2087.402947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.402947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.402947 (E_RNA)
where:
Base-Base interactions energy: -1408.917
where: short stacking energy: -578.615
Base-Backbone interact. energy: -0.358
local terms energy: -678.127554
where:
bonds (distance) C4'-P energy: -122.551
bonds (distance) P-C4' energy: -138.106
flat angles C4'-P-C4' energy: -140.442
flat angles P-C4'-P energy: -91.289
tors. eta vs tors. theta energy: -185.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1964.617501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.617501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.617501 (E_RNA)
where:
Base-Base interactions energy: -1364.312
where: short stacking energy: -568.687
Base-Backbone interact. energy: -1.635
local terms energy: -598.670852
where:
bonds (distance) C4'-P energy: -107.988
bonds (distance) P-C4' energy: -100.354
flat angles C4'-P-C4' energy: -126.949
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -181.895
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: 425
Temperature: 1.050000
Total energy: -1788.459849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.459849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.459849 (E_RNA)
where:
Base-Base interactions energy: -1213.473
where: short stacking energy: -503.096
Base-Backbone interact. energy: -3.412
local terms energy: -571.575421
where:
bonds (distance) C4'-P energy: -79.425
bonds (distance) P-C4' energy: -118.432
flat angles C4'-P-C4' energy: -132.316
flat angles P-C4'-P energy: -72.555
tors. eta vs tors. theta energy: -168.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1676.279747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.279747 (E_RNA)
where:
Base-Base interactions energy: -1128.167
where: short stacking energy: -448.670
Base-Backbone interact. energy: 2.624
local terms energy: -550.737178
where:
bonds (distance) C4'-P energy: -109.764
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -130.131
flat angles P-C4'-P energy: -71.689
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: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1685.109408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.109408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.109408 (E_RNA)
where:
Base-Base interactions energy: -1120.667
where: short stacking energy: -471.898
Base-Backbone interact. energy: -1.421
local terms energy: -563.021658
where:
bonds (distance) C4'-P energy: -107.097
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -125.506
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -137.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1409.736727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.736727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.736727 (E_RNA)
where:
Base-Base interactions energy: -905.620
where: short stacking energy: -367.831
Base-Backbone interact. energy: -2.180
local terms energy: -501.937273
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -126.036
flat angles C4'-P-C4' energy: -105.736
flat angles P-C4'-P energy: -87.224
tors. eta vs tors. theta energy: -91.221
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -984.586574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.586574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.586574 (E_RNA)
where:
Base-Base interactions energy: -586.716
where: short stacking energy: -273.449
Base-Backbone interact. energy: -1.532
local terms energy: -396.337967
where:
bonds (distance) C4'-P energy: -106.386
bonds (distance) P-C4' energy: -103.721
flat angles C4'-P-C4' energy: -100.438
flat angles P-C4'-P energy: -54.996
tors. eta vs tors. theta energy: -30.797
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: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -627.233370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.233370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.233370 (E_RNA)
where:
Base-Base interactions energy: -309.513
where: short stacking energy: -199.646
Base-Backbone interact. energy: 1.630
local terms energy: -319.350550
where:
bonds (distance) C4'-P energy: -106.178
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -86.647
flat angles P-C4'-P energy: -50.101
tors. eta vs tors. theta energy: 19.736
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: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -479.529780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.529780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.529780 (E_RNA)
where:
Base-Base interactions energy: -180.551
where: short stacking energy: -133.322
Base-Backbone interact. energy: 3.609
local terms energy: -302.587810
where:
bonds (distance) C4'-P energy: -90.913
bonds (distance) P-C4' energy: -103.549
flat angles C4'-P-C4' energy: -84.294
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: 24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2174.799285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.799285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.799285 (E_RNA)
where:
Base-Base interactions energy: -1502.147
where: short stacking energy: -618.488
Base-Backbone interact. energy: 0.312
local terms energy: -672.963975
where:
bonds (distance) C4'-P energy: -119.841
bonds (distance) P-C4' energy: -121.166
flat angles C4'-P-C4' energy: -145.478
flat angles P-C4'-P energy: -102.513
tors. eta vs tors. theta energy: -183.966
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: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2084.018342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.018342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.018342 (E_RNA)
where:
Base-Base interactions energy: -1445.283
where: short stacking energy: -605.535
Base-Backbone interact. energy: -1.192
local terms energy: -637.543310
where:
bonds (distance) C4'-P energy: -119.801
bonds (distance) P-C4' energy: -113.465
flat angles C4'-P-C4' energy: -127.657
flat angles P-C4'-P energy: -90.724
tors. eta vs tors. theta energy: -185.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2005.209924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.209924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.209924 (E_RNA)
where:
Base-Base interactions energy: -1357.928
where: short stacking energy: -571.126
Base-Backbone interact. energy: -1.489
local terms energy: -645.792932
where:
bonds (distance) C4'-P energy: -116.463
bonds (distance) P-C4' energy: -119.334
flat angles C4'-P-C4' energy: -134.591
flat angles P-C4'-P energy: -99.452
tors. eta vs tors. theta energy: -175.953
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: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1841.926735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.926735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.926735 (E_RNA)
where:
Base-Base interactions energy: -1193.241
where: short stacking energy: -540.165
Base-Backbone interact. energy: -0.498
local terms energy: -648.187028
where:
bonds (distance) C4'-P energy: -124.252
bonds (distance) P-C4' energy: -120.991
flat angles C4'-P-C4' energy: -133.080
flat angles P-C4'-P energy: -93.749
tors. eta vs tors. theta energy: -176.115
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: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1692.846055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.846055 (E_RNA)
where:
Base-Base interactions energy: -1108.317
where: short stacking energy: -484.375
Base-Backbone interact. energy: -1.824
local terms energy: -582.704587
where:
bonds (distance) C4'-P energy: -116.568
bonds (distance) P-C4' energy: -116.079
flat angles C4'-P-C4' energy: -122.246
flat angles P-C4'-P energy: -80.699
tors. eta vs tors. theta energy: -147.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1611.798096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.798096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.798096 (E_RNA)
where:
Base-Base interactions energy: -1073.144
where: short stacking energy: -444.973
Base-Backbone interact. energy: -1.874
local terms energy: -536.779480
where:
bonds (distance) C4'-P energy: -104.231
bonds (distance) P-C4' energy: -110.735
flat angles C4'-P-C4' energy: -131.796
flat angles P-C4'-P energy: -69.990
tors. eta vs tors. theta energy: -120.027
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1362.575390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.575390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.575390 (E_RNA)
where:
Base-Base interactions energy: -897.361
where: short stacking energy: -383.995
Base-Backbone interact. energy: -0.806
local terms energy: -464.408263
where:
bonds (distance) C4'-P energy: -100.944
bonds (distance) P-C4' energy: -91.018
flat angles C4'-P-C4' energy: -113.087
flat angles P-C4'-P energy: -66.301
tors. eta vs tors. theta energy: -93.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -952.902149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.902149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.902149 (E_RNA)
where:
Base-Base interactions energy: -569.238
where: short stacking energy: -277.958
Base-Backbone interact. energy: -3.368
local terms energy: -380.295674
where:
bonds (distance) C4'-P energy: -106.919
bonds (distance) P-C4' energy: -107.161
flat angles C4'-P-C4' energy: -96.565
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -628.768662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.768662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.768662 (E_RNA)
where:
Base-Base interactions energy: -271.391
where: short stacking energy: -149.894
Base-Backbone interact. energy: -0.653
local terms energy: -356.724549
where:
bonds (distance) C4'-P energy: -98.682
bonds (distance) P-C4' energy: -110.921
flat angles C4'-P-C4' energy: -90.469
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -457.998707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.998707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.998707 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -107.271
Base-Backbone interact. energy: -2.921
local terms energy: -315.534559
where:
bonds (distance) C4'-P energy: -97.662
bonds (distance) P-C4' energy: -113.206
flat angles C4'-P-C4' energy: -80.982
flat angles P-C4'-P energy: -57.840
tors. eta vs tors. theta energy: 34.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2171.812959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.812959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.812959 (E_RNA)
where:
Base-Base interactions energy: -1511.443
where: short stacking energy: -639.763
Base-Backbone interact. energy: -0.690
local terms energy: -659.680270
where:
bonds (distance) C4'-P energy: -116.904
bonds (distance) P-C4' energy: -123.274
flat angles C4'-P-C4' energy: -133.705
flat angles P-C4'-P energy: -100.122
tors. eta vs tors. theta energy: -185.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2057.161560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.161560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.161560 (E_RNA)
where:
Base-Base interactions energy: -1424.252
where: short stacking energy: -587.395
Base-Backbone interact. energy: -2.359
local terms energy: -630.550243
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -108.102
flat angles C4'-P-C4' energy: -130.884
flat angles P-C4'-P energy: -99.110
tors. eta vs tors. theta energy: -179.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2048.621864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.621864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.621864 (E_RNA)
where:
Base-Base interactions energy: -1396.988
where: short stacking energy: -579.550
Base-Backbone interact. energy: -0.884
local terms energy: -650.749356
where:
bonds (distance) C4'-P energy: -103.987
bonds (distance) P-C4' energy: -124.952
flat angles C4'-P-C4' energy: -135.430
flat angles P-C4'-P energy: -96.056
tors. eta vs tors. theta energy: -190.324
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: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1824.488637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.488637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.488637 (E_RNA)
where:
Base-Base interactions energy: -1252.406
where: short stacking energy: -523.042
Base-Backbone interact. energy: -1.152
local terms energy: -570.930131
where:
bonds (distance) C4'-P energy: -102.188
bonds (distance) P-C4' energy: -112.517
flat angles C4'-P-C4' energy: -117.226
flat angles P-C4'-P energy: -84.444
tors. eta vs tors. theta energy: -154.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1807.812170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.812170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.812170 (E_RNA)
where:
Base-Base interactions energy: -1233.784
where: short stacking energy: -523.269
Base-Backbone interact. energy: -0.071
local terms energy: -573.957438
where:
bonds (distance) C4'-P energy: -109.907
bonds (distance) P-C4' energy: -117.562
flat angles C4'-P-C4' energy: -115.508
flat angles P-C4'-P energy: -75.348
tors. eta vs tors. theta energy: -155.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1617.879707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.879707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.879707 (E_RNA)
where:
Base-Base interactions energy: -1083.268
where: short stacking energy: -458.495
Base-Backbone interact. energy: -2.703
local terms energy: -531.907915
where:
bonds (distance) C4'-P energy: -92.955
bonds (distance) P-C4' energy: -106.310
flat angles C4'-P-C4' energy: -128.609
flat angles P-C4'-P energy: -85.697
tors. eta vs tors. theta energy: -118.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1372.685646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.685646 (E_RNA)
where:
Base-Base interactions energy: -903.538
where: short stacking energy: -391.549
Base-Backbone interact. energy: 1.246
local terms energy: -470.392968
where:
bonds (distance) C4'-P energy: -93.769
bonds (distance) P-C4' energy: -115.184
flat angles C4'-P-C4' energy: -105.670
flat angles P-C4'-P energy: -59.893
tors. eta vs tors. theta energy: -95.877
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: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -968.968640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.968640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.968640 (E_RNA)
where:
Base-Base interactions energy: -577.379
where: short stacking energy: -276.763
Base-Backbone interact. energy: 1.139
local terms energy: -392.729086
where:
bonds (distance) C4'-P energy: -84.657
bonds (distance) P-C4' energy: -109.947
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -48.056
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: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -644.974902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.974902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.974902 (E_RNA)
where:
Base-Base interactions energy: -297.188
where: short stacking energy: -200.327
Base-Backbone interact. energy: -0.185
local terms energy: -347.602485
where:
bonds (distance) C4'-P energy: -98.247
bonds (distance) P-C4' energy: -98.919
flat angles C4'-P-C4' energy: -103.193
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: 7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -493.734582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.734582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.734582 (E_RNA)
where:
Base-Base interactions energy: -190.967
where: short stacking energy: -147.648
Base-Backbone interact. energy: -2.498
local terms energy: -300.270020
where:
bonds (distance) C4'-P energy: -93.106
bonds (distance) P-C4' energy: -104.387
flat angles C4'-P-C4' energy: -76.929
flat angles P-C4'-P energy: -50.889
tors. eta vs tors. theta energy: 25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2188.293061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.293061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.293061 (E_RNA)
where:
Base-Base interactions energy: -1509.891
where: short stacking energy: -649.317
Base-Backbone interact. energy: -0.915
local terms energy: -677.487588
where:
bonds (distance) C4'-P energy: -132.076
bonds (distance) P-C4' energy: -116.325
flat angles C4'-P-C4' energy: -135.820
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -195.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2098.806379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.806379 (E_RNA)
where:
Base-Base interactions energy: -1429.352
where: short stacking energy: -601.947
Base-Backbone interact. energy: -3.977
local terms energy: -665.477349
where:
bonds (distance) C4'-P energy: -127.833
bonds (distance) P-C4' energy: -124.771
flat angles C4'-P-C4' energy: -139.748
flat angles P-C4'-P energy: -84.007
tors. eta vs tors. theta energy: -189.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2048.798021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.798021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.798021 (E_RNA)
where:
Base-Base interactions energy: -1411.967
where: short stacking energy: -592.303
Base-Backbone interact. energy: -0.337
local terms energy: -636.494524
where:
bonds (distance) C4'-P energy: -102.393
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -135.750
flat angles P-C4'-P energy: -90.277
tors. eta vs tors. theta energy: -194.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1830.605239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.605239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.605239 (E_RNA)
where:
Base-Base interactions energy: -1242.785
where: short stacking energy: -541.035
Base-Backbone interact. energy: -1.582
local terms energy: -586.238738
where:
bonds (distance) C4'-P energy: -116.673
bonds (distance) P-C4' energy: -100.373
flat angles C4'-P-C4' energy: -129.864
flat angles P-C4'-P energy: -78.473
tors. eta vs tors. theta energy: -160.854
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: 5, replica: 2
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1773.683661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.683661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.683661 (E_RNA)
where:
Base-Base interactions energy: -1196.603
where: short stacking energy: -530.245
Base-Backbone interact. energy: -1.317
local terms energy: -575.763490
where:
bonds (distance) C4'-P energy: -82.786
bonds (distance) P-C4' energy: -114.850
flat angles C4'-P-C4' energy: -130.913
flat angles P-C4'-P energy: -82.416
tors. eta vs tors. theta energy: -164.799
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: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1654.017040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.017040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.017040 (E_RNA)
where:
Base-Base interactions energy: -1100.266
where: short stacking energy: -488.295
Base-Backbone interact. energy: -2.263
local terms energy: -551.488401
where:
bonds (distance) C4'-P energy: -100.874
bonds (distance) P-C4' energy: -117.015
flat angles C4'-P-C4' energy: -111.626
flat angles P-C4'-P energy: -72.942
tors. eta vs tors. theta energy: -149.031
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: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1324.674959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.674959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.674959 (E_RNA)
where:
Base-Base interactions energy: -876.486
where: short stacking energy: -374.248
Base-Backbone interact. energy: -1.257
local terms energy: -446.932167
where:
bonds (distance) C4'-P energy: -100.597
bonds (distance) P-C4' energy: -101.143
flat angles C4'-P-C4' energy: -97.500
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -90.238
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: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -961.365374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.365374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.365374 (E_RNA)
where:
Base-Base interactions energy: -544.774
where: short stacking energy: -261.751
Base-Backbone interact. energy: -0.014
local terms energy: -416.576589
where:
bonds (distance) C4'-P energy: -103.795
bonds (distance) P-C4' energy: -115.850
flat angles C4'-P-C4' energy: -106.740
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -41.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -692.952289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.952289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.952289 (E_RNA)
where:
Base-Base interactions energy: -349.265
where: short stacking energy: -204.957
Base-Backbone interact. energy: 0.703
local terms energy: -344.390317
where:
bonds (distance) C4'-P energy: -97.312
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -106.476
flat angles P-C4'-P energy: -49.400
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -457.412526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.412526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.412526 (E_RNA)
where:
Base-Base interactions energy: -174.698
where: short stacking energy: -100.371
Base-Backbone interact. energy: 3.407
local terms energy: -286.121172
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -112.787
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -57.466
tors. eta vs tors. theta energy: 50.896
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: 429
Temperature: 0.900000
Total energy: -2168.447616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.447616 (E_RNA)
where:
Base-Base interactions energy: -1483.639
where: short stacking energy: -611.145
Base-Backbone interact. energy: -2.025
local terms energy: -682.783696
where:
bonds (distance) C4'-P energy: -116.890
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -148.142
flat angles P-C4'-P energy: -105.067
tors. eta vs tors. theta energy: -185.184
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2117.249305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.249305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.249305 (E_RNA)
where:
Base-Base interactions energy: -1444.820
where: short stacking energy: -579.724
Base-Backbone interact. energy: -3.076
local terms energy: -669.353222
where:
bonds (distance) C4'-P energy: -120.247
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -133.141
flat angles P-C4'-P energy: -90.443
tors. eta vs tors. theta energy: -204.446
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2046.046778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.046778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.046778 (E_RNA)
where:
Base-Base interactions energy: -1387.906
where: short stacking energy: -594.674
Base-Backbone interact. energy: 1.464
local terms energy: -659.605539
where:
bonds (distance) C4'-P energy: -122.418
bonds (distance) P-C4' energy: -121.252
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -191.456
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1788.830196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.830196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.830196 (E_RNA)
where:
Base-Base interactions energy: -1205.900
where: short stacking energy: -507.834
Base-Backbone interact. energy: 0.019
local terms energy: -582.949551
where:
bonds (distance) C4'-P energy: -108.299
bonds (distance) P-C4' energy: -105.910
flat angles C4'-P-C4' energy: -132.840
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -152.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1779.429593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.429593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.429593 (E_RNA)
where:
Base-Base interactions energy: -1171.288
where: short stacking energy: -526.710
Base-Backbone interact. energy: -2.627
local terms energy: -605.515104
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -124.005
flat angles C4'-P-C4' energy: -121.208
flat angles P-C4'-P energy: -88.655
tors. eta vs tors. theta energy: -161.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1683.732043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.732043 (E_RNA)
where:
Base-Base interactions energy: -1147.185
where: short stacking energy: -492.867
Base-Backbone interact. energy: -0.620
local terms energy: -535.926543
where:
bonds (distance) C4'-P energy: -87.020
bonds (distance) P-C4' energy: -104.711
flat angles C4'-P-C4' energy: -122.591
flat angles P-C4'-P energy: -79.075
tors. eta vs tors. theta energy: -142.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1373.944266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.944266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.944266 (E_RNA)
where:
Base-Base interactions energy: -891.775
where: short stacking energy: -388.589
Base-Backbone interact. energy: 0.048
local terms energy: -482.218038
where:
bonds (distance) C4'-P energy: -111.062
bonds (distance) P-C4' energy: -92.616
flat angles C4'-P-C4' energy: -117.482
flat angles P-C4'-P energy: -69.618
tors. eta vs tors. theta energy: -91.441
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -974.045952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.045952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.045952 (E_RNA)
where:
Base-Base interactions energy: -590.453
where: short stacking energy: -290.581
Base-Backbone interact. energy: 3.332
local terms energy: -386.925099
where:
bonds (distance) C4'-P energy: -95.623
bonds (distance) P-C4' energy: -108.926
flat angles C4'-P-C4' energy: -108.042
flat angles P-C4'-P energy: -48.170
tors. eta vs tors. theta energy: -26.164
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: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -702.621776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.621776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.621776 (E_RNA)
where:
Base-Base interactions energy: -358.763
where: short stacking energy: -201.195
Base-Backbone interact. energy: 1.012
local terms energy: -344.870161
where:
bonds (distance) C4'-P energy: -106.993
bonds (distance) P-C4' energy: -112.278
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -454.351139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.351139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.351139 (E_RNA)
where:
Base-Base interactions energy: -163.444
where: short stacking energy: -109.786
Base-Backbone interact. energy: -4.288
local terms energy: -286.619174
where:
bonds (distance) C4'-P energy: -91.607
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -69.111
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: 27.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2167.525299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.525299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.525299 (E_RNA)
where:
Base-Base interactions energy: -1478.390
where: short stacking energy: -614.496
Base-Backbone interact. energy: -3.450
local terms energy: -685.685358
where:
bonds (distance) C4'-P energy: -124.623
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -140.011
flat angles P-C4'-P energy: -100.867
tors. eta vs tors. theta energy: -184.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2101.851563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.851563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.851563 (E_RNA)
where:
Base-Base interactions energy: -1462.987
where: short stacking energy: -607.713
Base-Backbone interact. energy: -2.716
local terms energy: -636.149016
where:
bonds (distance) C4'-P energy: -113.695
bonds (distance) P-C4' energy: -114.810
flat angles C4'-P-C4' energy: -128.607
flat angles P-C4'-P energy: -101.771
tors. eta vs tors. theta energy: -177.266
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: 430
Temperature: 1.000000
Total energy: -2028.179466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.179466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.179466 (E_RNA)
where:
Base-Base interactions energy: -1402.618
where: short stacking energy: -575.401
Base-Backbone interact. energy: -2.986
local terms energy: -622.575000
where:
bonds (distance) C4'-P energy: -114.974
bonds (distance) P-C4' energy: -101.022
flat angles C4'-P-C4' energy: -128.638
flat angles P-C4'-P energy: -93.044
tors. eta vs tors. theta energy: -184.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1794.664487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.664487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.664487 (E_RNA)
where:
Base-Base interactions energy: -1205.926
where: short stacking energy: -513.419
Base-Backbone interact. energy: -1.731
local terms energy: -587.007564
where:
bonds (distance) C4'-P energy: -114.512
bonds (distance) P-C4' energy: -121.585
flat angles C4'-P-C4' energy: -123.775
flat angles P-C4'-P energy: -73.657
tors. eta vs tors. theta energy: -153.478
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: 430
Temperature: 1.100000
Total energy: -1806.428764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.428764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.428764 (E_RNA)
where:
Base-Base interactions energy: -1205.482
where: short stacking energy: -534.455
Base-Backbone interact. energy: -0.086
local terms energy: -600.861370
where:
bonds (distance) C4'-P energy: -105.816
bonds (distance) P-C4' energy: -116.058
flat angles C4'-P-C4' energy: -130.726
flat angles P-C4'-P energy: -84.687
tors. eta vs tors. theta energy: -163.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1608.978079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.978079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.978079 (E_RNA)
where:
Base-Base interactions energy: -1092.063
where: short stacking energy: -457.936
Base-Backbone interact. energy: -2.922
local terms energy: -513.992993
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -108.315
flat angles C4'-P-C4' energy: -118.645
flat angles P-C4'-P energy: -74.351
tors. eta vs tors. theta energy: -134.920
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1307.750440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.750440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.750440 (E_RNA)
where:
Base-Base interactions energy: -841.253
where: short stacking energy: -360.758
Base-Backbone interact. energy: -3.655
local terms energy: -462.842225
where:
bonds (distance) C4'-P energy: -92.524
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -112.641
flat angles P-C4'-P energy: -64.201
tors. eta vs tors. theta energy: -80.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -978.320690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.320690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.320690 (E_RNA)
where:
Base-Base interactions energy: -561.814
where: short stacking energy: -292.042
Base-Backbone interact. energy: -1.810
local terms energy: -414.697305
where:
bonds (distance) C4'-P energy: -105.125
bonds (distance) P-C4' energy: -110.225
flat angles C4'-P-C4' energy: -89.749
flat angles P-C4'-P energy: -50.902
tors. eta vs tors. theta energy: -58.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -688.338822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.338822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.338822 (E_RNA)
where:
Base-Base interactions energy: -351.407
where: short stacking energy: -185.452
Base-Backbone interact. energy: -0.919
local terms energy: -336.012504
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -122.763
flat angles C4'-P-C4' energy: -89.950
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: 15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -536.010165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.010165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.010165 (E_RNA)
where:
Base-Base interactions energy: -212.509
where: short stacking energy: -129.037
Base-Backbone interact. energy: -1.053
local terms energy: -322.448016
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -109.194
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: 26.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2147.354942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.354942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.354942 (E_RNA)
where:
Base-Base interactions energy: -1476.381
where: short stacking energy: -617.033
Base-Backbone interact. energy: -3.501
local terms energy: -667.472249
where:
bonds (distance) C4'-P energy: -119.368
bonds (distance) P-C4' energy: -122.838
flat angles C4'-P-C4' energy: -136.414
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -186.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2023.899515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.899515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.899515 (E_RNA)
where:
Base-Base interactions energy: -1394.245
where: short stacking energy: -583.259
Base-Backbone interact. energy: -2.045
local terms energy: -627.609569
where:
bonds (distance) C4'-P energy: -110.040
bonds (distance) P-C4' energy: -124.291
flat angles C4'-P-C4' energy: -123.981
flat angles P-C4'-P energy: -85.016
tors. eta vs tors. theta energy: -184.282
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2050.159209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.159209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.159209 (E_RNA)
where:
Base-Base interactions energy: -1424.208
where: short stacking energy: -581.767
Base-Backbone interact. energy: -0.470
local terms energy: -625.481328
where:
bonds (distance) C4'-P energy: -113.713
bonds (distance) P-C4' energy: -115.323
flat angles C4'-P-C4' energy: -132.827
flat angles P-C4'-P energy: -82.799
tors. eta vs tors. theta energy: -180.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1802.301095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.301095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.301095 (E_RNA)
where:
Base-Base interactions energy: -1221.814
where: short stacking energy: -514.852
Base-Backbone interact. energy: -1.653
local terms energy: -578.834321
where:
bonds (distance) C4'-P energy: -120.665
bonds (distance) P-C4' energy: -107.876
flat angles C4'-P-C4' energy: -127.071
flat angles P-C4'-P energy: -68.581
tors. eta vs tors. theta energy: -154.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1819.046565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.046565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.046565 (E_RNA)
where:
Base-Base interactions energy: -1228.746
where: short stacking energy: -523.223
Base-Backbone interact. energy: 0.151
local terms energy: -590.451348
where:
bonds (distance) C4'-P energy: -113.842
bonds (distance) P-C4' energy: -103.493
flat angles C4'-P-C4' energy: -126.639
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -160.391
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: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1642.941868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.941868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.941868 (E_RNA)
where:
Base-Base interactions energy: -1122.835
where: short stacking energy: -450.792
Base-Backbone interact. energy: -2.490
local terms energy: -517.617189
where:
bonds (distance) C4'-P energy: -100.992
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -126.165
flat angles P-C4'-P energy: -69.492
tors. eta vs tors. theta energy: -125.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1405.139326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.139326 (E_RNA)
where:
Base-Base interactions energy: -887.108
where: short stacking energy: -387.281
Base-Backbone interact. energy: -1.259
local terms energy: -516.772367
where:
bonds (distance) C4'-P energy: -102.511
bonds (distance) P-C4' energy: -120.710
flat angles C4'-P-C4' energy: -115.453
flat angles P-C4'-P energy: -78.535
tors. eta vs tors. theta energy: -99.564
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: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1013.208820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.208820 (E_RNA)
where:
Base-Base interactions energy: -615.534
where: short stacking energy: -265.035
Base-Backbone interact. energy: -3.281
local terms energy: -394.394075
where:
bonds (distance) C4'-P energy: -92.422
bonds (distance) P-C4' energy: -105.664
flat angles C4'-P-C4' energy: -104.198
flat angles P-C4'-P energy: -61.509
tors. eta vs tors. theta energy: -30.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -661.062546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.062546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.062546 (E_RNA)
where:
Base-Base interactions energy: -299.256
where: short stacking energy: -177.575
Base-Backbone interact. energy: -0.314
local terms energy: -361.492079
where:
bonds (distance) C4'-P energy: -96.896
bonds (distance) P-C4' energy: -103.573
flat angles C4'-P-C4' energy: -110.661
flat angles P-C4'-P energy: -69.635
tors. eta vs tors. theta energy: 19.273
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: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -460.055514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.055514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.055514 (E_RNA)
where:
Base-Base interactions energy: -152.242
where: short stacking energy: -121.495
Base-Backbone interact. energy: 0.587
local terms energy: -308.400643
where:
bonds (distance) C4'-P energy: -107.752
bonds (distance) P-C4' energy: -106.727
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: 23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2159.116203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.116203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.116203 (E_RNA)
where:
Base-Base interactions energy: -1488.004
where: short stacking energy: -634.394
Base-Backbone interact. energy: -2.661
local terms energy: -668.451181
where:
bonds (distance) C4'-P energy: -111.816
bonds (distance) P-C4' energy: -136.563
flat angles C4'-P-C4' energy: -143.532
flat angles P-C4'-P energy: -87.050
tors. eta vs tors. theta energy: -189.491
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2009.802369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.802369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.802369 (E_RNA)
where:
Base-Base interactions energy: -1367.740
where: short stacking energy: -583.980
Base-Backbone interact. energy: -2.969
local terms energy: -639.093454
where:
bonds (distance) C4'-P energy: -119.811
bonds (distance) P-C4' energy: -120.796
flat angles C4'-P-C4' energy: -142.209
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -176.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2042.606004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.606004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.606004 (E_RNA)
where:
Base-Base interactions energy: -1383.497
where: short stacking energy: -592.525
Base-Backbone interact. energy: -3.849
local terms energy: -655.260763
where:
bonds (distance) C4'-P energy: -114.279
bonds (distance) P-C4' energy: -121.952
flat angles C4'-P-C4' energy: -135.586
flat angles P-C4'-P energy: -94.879
tors. eta vs tors. theta energy: -188.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1812.739060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.739060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.739060 (E_RNA)
where:
Base-Base interactions energy: -1229.849
where: short stacking energy: -504.644
Base-Backbone interact. energy: -1.524
local terms energy: -581.366137
where:
bonds (distance) C4'-P energy: -122.982
bonds (distance) P-C4' energy: -104.145
flat angles C4'-P-C4' energy: -133.417
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -136.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1795.880949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.880949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.880949 (E_RNA)
where:
Base-Base interactions energy: -1223.587
where: short stacking energy: -515.270
Base-Backbone interact. energy: -1.503
local terms energy: -570.791519
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -116.354
flat angles C4'-P-C4' energy: -123.417
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -152.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1657.110547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.110547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.110547 (E_RNA)
where:
Base-Base interactions energy: -1109.479
where: short stacking energy: -454.963
Base-Backbone interact. energy: -0.878
local terms energy: -546.753778
where:
bonds (distance) C4'-P energy: -116.017
bonds (distance) P-C4' energy: -118.879
flat angles C4'-P-C4' energy: -110.190
flat angles P-C4'-P energy: -71.337
tors. eta vs tors. theta energy: -130.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1328.681640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.681640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.681640 (E_RNA)
where:
Base-Base interactions energy: -854.950
where: short stacking energy: -370.583
Base-Backbone interact. energy: 5.341
local terms energy: -479.072419
where:
bonds (distance) C4'-P energy: -94.271
bonds (distance) P-C4' energy: -109.671
flat angles C4'-P-C4' energy: -102.782
flat angles P-C4'-P energy: -76.318
tors. eta vs tors. theta energy: -96.031
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: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1033.365607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.365607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.365607 (E_RNA)
where:
Base-Base interactions energy: -606.255
where: short stacking energy: -276.510
Base-Backbone interact. energy: -1.915
local terms energy: -425.195448
where:
bonds (distance) C4'-P energy: -110.037
bonds (distance) P-C4' energy: -99.986
flat angles C4'-P-C4' energy: -107.918
flat angles P-C4'-P energy: -60.356
tors. eta vs tors. theta energy: -46.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -653.000038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.000038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.000038 (E_RNA)
where:
Base-Base interactions energy: -329.087
where: short stacking energy: -197.299
Base-Backbone interact. energy: -2.959
local terms energy: -320.954974
where:
bonds (distance) C4'-P energy: -81.105
bonds (distance) P-C4' energy: -101.245
flat angles C4'-P-C4' energy: -94.028
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: 2.973
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: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -484.791839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.791839 (E_RNA)
where:
Base-Base interactions energy: -166.009
where: short stacking energy: -116.536
Base-Backbone interact. energy: 1.839
local terms energy: -320.621806
where:
bonds (distance) C4'-P energy: -95.905
bonds (distance) P-C4' energy: -100.813
flat angles C4'-P-C4' energy: -90.390
flat angles P-C4'-P energy: -57.085
tors. eta vs tors. theta energy: 23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2162.435588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.435588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.435588 (E_RNA)
where:
Base-Base interactions energy: -1496.206
where: short stacking energy: -615.813
Base-Backbone interact. energy: 2.822
local terms energy: -669.051688
where:
bonds (distance) C4'-P energy: -128.533
bonds (distance) P-C4' energy: -114.837
flat angles C4'-P-C4' energy: -141.358
flat angles P-C4'-P energy: -98.278
tors. eta vs tors. theta energy: -186.045
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: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2075.067912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.067912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.067912 (E_RNA)
where:
Base-Base interactions energy: -1392.042
where: short stacking energy: -573.739
Base-Backbone interact. energy: -1.806
local terms energy: -681.220464
where:
bonds (distance) C4'-P energy: -131.759
bonds (distance) P-C4' energy: -128.801
flat angles C4'-P-C4' energy: -131.028
flat angles P-C4'-P energy: -100.526
tors. eta vs tors. theta energy: -189.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1982.090773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.090773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.090773 (E_RNA)
where:
Base-Base interactions energy: -1362.565
where: short stacking energy: -566.655
Base-Backbone interact. energy: -2.387
local terms energy: -617.137931
where:
bonds (distance) C4'-P energy: -111.332
bonds (distance) P-C4' energy: -105.646
flat angles C4'-P-C4' energy: -141.416
flat angles P-C4'-P energy: -87.697
tors. eta vs tors. theta energy: -171.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1806.914610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.914610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.914610 (E_RNA)
where:
Base-Base interactions energy: -1198.684
where: short stacking energy: -526.015
Base-Backbone interact. energy: -0.022
local terms energy: -608.208679
where:
bonds (distance) C4'-P energy: -105.226
bonds (distance) P-C4' energy: -119.655
flat angles C4'-P-C4' energy: -131.585
flat angles P-C4'-P energy: -81.355
tors. eta vs tors. theta energy: -170.389
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: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1751.492169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.492169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.492169 (E_RNA)
where:
Base-Base interactions energy: -1186.312
where: short stacking energy: -481.073
Base-Backbone interact. energy: -0.774
local terms energy: -564.406677
where:
bonds (distance) C4'-P energy: -116.154
bonds (distance) P-C4' energy: -121.652
flat angles C4'-P-C4' energy: -122.780
flat angles P-C4'-P energy: -73.060
tors. eta vs tors. theta energy: -130.760
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: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1612.909906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.909906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.909906 (E_RNA)
where:
Base-Base interactions energy: -1076.173
where: short stacking energy: -454.144
Base-Backbone interact. energy: 4.129
local terms energy: -540.866575
where:
bonds (distance) C4'-P energy: -108.870
bonds (distance) P-C4' energy: -122.160
flat angles C4'-P-C4' energy: -118.230
flat angles P-C4'-P energy: -73.689
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1356.027485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.027485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.027485 (E_RNA)
where:
Base-Base interactions energy: -899.711
where: short stacking energy: -376.179
Base-Backbone interact. energy: 2.988
local terms energy: -459.303883
where:
bonds (distance) C4'-P energy: -110.793
bonds (distance) P-C4' energy: -118.825
flat angles C4'-P-C4' energy: -95.451
flat angles P-C4'-P energy: -54.710
tors. eta vs tors. theta energy: -79.526
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: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -994.921796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.921796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.921796 (E_RNA)
where:
Base-Base interactions energy: -615.241
where: short stacking energy: -270.602
Base-Backbone interact. energy: -3.615
local terms energy: -376.066564
where:
bonds (distance) C4'-P energy: -98.567
bonds (distance) P-C4' energy: -106.641
flat angles C4'-P-C4' energy: -96.754
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -29.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -655.265459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.265459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.265459 (E_RNA)
where:
Base-Base interactions energy: -291.463
where: short stacking energy: -190.216
Base-Backbone interact. energy: -0.708
local terms energy: -363.093720
where:
bonds (distance) C4'-P energy: -89.152
bonds (distance) P-C4' energy: -108.882
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -498.388731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.388731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.388731 (E_RNA)
where:
Base-Base interactions energy: -193.649
where: short stacking energy: -148.641
Base-Backbone interact. energy: -3.000
local terms energy: -301.739148
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -100.772
flat angles C4'-P-C4' energy: -95.945
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: 14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2172.346879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.346879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.346879 (E_RNA)
where:
Base-Base interactions energy: -1490.569
where: short stacking energy: -617.148
Base-Backbone interact. energy: -3.611
local terms energy: -678.167851
where:
bonds (distance) C4'-P energy: -126.373
bonds (distance) P-C4' energy: -111.396
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -103.470
tors. eta vs tors. theta energy: -186.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2086.660766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.660766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.660766 (E_RNA)
where:
Base-Base interactions energy: -1426.297
where: short stacking energy: -590.176
Base-Backbone interact. energy: -2.475
local terms energy: -657.888036
where:
bonds (distance) C4'-P energy: -111.140
bonds (distance) P-C4' energy: -123.859
flat angles C4'-P-C4' energy: -132.566
flat angles P-C4'-P energy: -104.793
tors. eta vs tors. theta energy: -185.530
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: 434
Temperature: 1.000000
Total energy: -1966.185997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.185997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.185997 (E_RNA)
where:
Base-Base interactions energy: -1355.468
where: short stacking energy: -545.117
Base-Backbone interact. energy: -2.663
local terms energy: -608.054748
where:
bonds (distance) C4'-P energy: -100.501
bonds (distance) P-C4' energy: -101.327
flat angles C4'-P-C4' energy: -143.325
flat angles P-C4'-P energy: -85.646
tors. eta vs tors. theta energy: -177.256
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: 434
Temperature: 1.050000
Total energy: -1844.382710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.382710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.382710 (E_RNA)
where:
Base-Base interactions energy: -1245.644
where: short stacking energy: -569.639
Base-Backbone interact. energy: -0.978
local terms energy: -597.760266
where:
bonds (distance) C4'-P energy: -101.644
bonds (distance) P-C4' energy: -120.543
flat angles C4'-P-C4' energy: -127.442
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -163.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1734.083105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.083105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.083105 (E_RNA)
where:
Base-Base interactions energy: -1189.754
where: short stacking energy: -470.310
Base-Backbone interact. energy: -1.503
local terms energy: -542.826894
where:
bonds (distance) C4'-P energy: -107.968
bonds (distance) P-C4' energy: -117.806
flat angles C4'-P-C4' energy: -106.031
flat angles P-C4'-P energy: -78.639
tors. eta vs tors. theta energy: -132.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1625.788991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.788991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.788991 (E_RNA)
where:
Base-Base interactions energy: -1118.167
where: short stacking energy: -447.946
Base-Backbone interact. energy: 5.469
local terms energy: -513.091302
where:
bonds (distance) C4'-P energy: -100.073
bonds (distance) P-C4' energy: -95.434
flat angles C4'-P-C4' energy: -111.037
flat angles P-C4'-P energy: -78.024
tors. eta vs tors. theta energy: -128.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1341.231324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.231324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.231324 (E_RNA)
where:
Base-Base interactions energy: -858.784
where: short stacking energy: -381.187
Base-Backbone interact. energy: 13.844
local terms energy: -496.291490
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -132.401
flat angles C4'-P-C4' energy: -104.480
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -85.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1021.606362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.606362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.606362 (E_RNA)
where:
Base-Base interactions energy: -606.110
where: short stacking energy: -288.322
Base-Backbone interact. energy: -2.713
local terms energy: -412.783345
where:
bonds (distance) C4'-P energy: -106.509
bonds (distance) P-C4' energy: -103.634
flat angles C4'-P-C4' energy: -101.523
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: -51.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -689.523362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.523362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.523362 (E_RNA)
where:
Base-Base interactions energy: -318.510
where: short stacking energy: -194.309
Base-Backbone interact. energy: -0.103
local terms energy: -370.910209
where:
bonds (distance) C4'-P energy: -113.210
bonds (distance) P-C4' energy: -98.791
flat angles C4'-P-C4' energy: -98.612
flat angles P-C4'-P energy: -61.487
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -465.914167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.914167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.914167 (E_RNA)
where:
Base-Base interactions energy: -168.186
where: short stacking energy: -128.215
Base-Backbone interact. energy: 2.798
local terms energy: -300.526252
where:
bonds (distance) C4'-P energy: -100.079
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -99.408
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: 22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2161.723377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.723377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.723377 (E_RNA)
where:
Base-Base interactions energy: -1512.496
where: short stacking energy: -617.144
Base-Backbone interact. energy: -2.782
local terms energy: -646.445140
where:
bonds (distance) C4'-P energy: -117.690
bonds (distance) P-C4' energy: -112.558
flat angles C4'-P-C4' energy: -140.367
flat angles P-C4'-P energy: -88.162
tors. eta vs tors. theta energy: -187.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2055.460648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.460648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.460648 (E_RNA)
where:
Base-Base interactions energy: -1393.604
where: short stacking energy: -602.389
Base-Backbone interact. energy: 0.176
local terms energy: -662.032269
where:
bonds (distance) C4'-P energy: -108.879
bonds (distance) P-C4' energy: -118.601
flat angles C4'-P-C4' energy: -148.413
flat angles P-C4'-P energy: -99.875
tors. eta vs tors. theta energy: -186.264
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: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1965.018111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.018111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.018111 (E_RNA)
where:
Base-Base interactions energy: -1339.027
where: short stacking energy: -547.841
Base-Backbone interact. energy: -3.615
local terms energy: -622.376149
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -122.665
flat angles C4'-P-C4' energy: -139.440
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -170.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1848.971108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.971108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.971108 (E_RNA)
where:
Base-Base interactions energy: -1236.212
where: short stacking energy: -534.282
Base-Backbone interact. energy: -0.661
local terms energy: -612.097978
where:
bonds (distance) C4'-P energy: -108.911
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -126.188
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -155.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1734.092180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.092180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.092180 (E_RNA)
where:
Base-Base interactions energy: -1195.481
where: short stacking energy: -500.687
Base-Backbone interact. energy: -1.910
local terms energy: -536.701624
where:
bonds (distance) C4'-P energy: -102.159
bonds (distance) P-C4' energy: -96.248
flat angles C4'-P-C4' energy: -122.875
flat angles P-C4'-P energy: -75.646
tors. eta vs tors. theta energy: -139.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1592.478423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.478423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.478423 (E_RNA)
where:
Base-Base interactions energy: -1058.417
where: short stacking energy: -444.943
Base-Backbone interact. energy: -2.604
local terms energy: -531.457155
where:
bonds (distance) C4'-P energy: -112.041
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -104.533
flat angles P-C4'-P energy: -71.794
tors. eta vs tors. theta energy: -129.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1354.449576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.449576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.449576 (E_RNA)
where:
Base-Base interactions energy: -890.668
where: short stacking energy: -382.627
Base-Backbone interact. energy: 4.438
local terms energy: -468.219883
where:
bonds (distance) C4'-P energy: -88.348
bonds (distance) P-C4' energy: -102.734
flat angles C4'-P-C4' energy: -106.602
flat angles P-C4'-P energy: -72.267
tors. eta vs tors. theta energy: -98.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1015.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.003072 (E_RNA)
where:
Base-Base interactions energy: -593.882
where: short stacking energy: -289.572
Base-Backbone interact. energy: -3.264
local terms energy: -417.857220
where:
bonds (distance) C4'-P energy: -121.557
bonds (distance) P-C4' energy: -86.631
flat angles C4'-P-C4' energy: -86.953
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -50.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -721.719926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.719926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.719926 (E_RNA)
where:
Base-Base interactions energy: -380.365
where: short stacking energy: -217.502
Base-Backbone interact. energy: 3.293
local terms energy: -344.647546
where:
bonds (distance) C4'-P energy: -100.365
bonds (distance) P-C4' energy: -113.695
flat angles C4'-P-C4' energy: -85.982
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -536.454138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.454138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.454138 (E_RNA)
where:
Base-Base interactions energy: -205.506
where: short stacking energy: -156.805
Base-Backbone interact. energy: 5.952
local terms energy: -336.900525
where:
bonds (distance) C4'-P energy: -87.928
bonds (distance) P-C4' energy: -116.114
flat angles C4'-P-C4' energy: -93.752
flat angles P-C4'-P energy: -42.390
tors. eta vs tors. theta energy: 3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2169.603770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.603770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.603770 (E_RNA)
where:
Base-Base interactions energy: -1534.874
where: short stacking energy: -623.193
Base-Backbone interact. energy: -3.531
local terms energy: -631.199075
where:
bonds (distance) C4'-P energy: -116.310
bonds (distance) P-C4' energy: -113.428
flat angles C4'-P-C4' energy: -133.410
flat angles P-C4'-P energy: -86.783
tors. eta vs tors. theta energy: -181.268
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: 436
Temperature: 0.950000
Total energy: -2040.605465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.605465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.605465 (E_RNA)
where:
Base-Base interactions energy: -1378.628
where: short stacking energy: -614.836
Base-Backbone interact. energy: 0.775
local terms energy: -662.752318
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -132.021
flat angles P-C4'-P energy: -93.448
tors. eta vs tors. theta energy: -190.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1971.682017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.682017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.682017 (E_RNA)
where:
Base-Base interactions energy: -1349.149
where: short stacking energy: -554.228
Base-Backbone interact. energy: -1.488
local terms energy: -621.044814
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -120.084
flat angles C4'-P-C4' energy: -126.669
flat angles P-C4'-P energy: -89.866
tors. eta vs tors. theta energy: -172.976
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1809.622157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.622157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.622157 (E_RNA)
where:
Base-Base interactions energy: -1215.047
where: short stacking energy: -511.457
Base-Backbone interact. energy: -3.184
local terms energy: -591.390830
where:
bonds (distance) C4'-P energy: -112.209
bonds (distance) P-C4' energy: -118.364
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -87.251
tors. eta vs tors. theta energy: -157.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1782.619249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.619249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.619249 (E_RNA)
where:
Base-Base interactions energy: -1223.575
where: short stacking energy: -506.715
Base-Backbone interact. energy: -1.063
local terms energy: -557.981704
where:
bonds (distance) C4'-P energy: -101.438
bonds (distance) P-C4' energy: -115.711
flat angles C4'-P-C4' energy: -118.850
flat angles P-C4'-P energy: -72.776
tors. eta vs tors. theta energy: -149.208
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: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1594.864559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.864559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.864559 (E_RNA)
where:
Base-Base interactions energy: -1040.382
where: short stacking energy: -420.624
Base-Backbone interact. energy: -1.952
local terms energy: -552.531145
where:
bonds (distance) C4'-P energy: -110.556
bonds (distance) P-C4' energy: -124.510
flat angles C4'-P-C4' energy: -125.462
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -122.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1348.530184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.530184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.530184 (E_RNA)
where:
Base-Base interactions energy: -882.748
where: short stacking energy: -378.643
Base-Backbone interact. energy: -0.570
local terms energy: -465.213059
where:
bonds (distance) C4'-P energy: -94.267
bonds (distance) P-C4' energy: -100.397
flat angles C4'-P-C4' energy: -105.859
flat angles P-C4'-P energy: -67.728
tors. eta vs tors. theta energy: -96.962
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: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -947.334070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.334070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.334070 (E_RNA)
where:
Base-Base interactions energy: -554.198
where: short stacking energy: -250.834
Base-Backbone interact. energy: 0.648
local terms energy: -393.784752
where:
bonds (distance) C4'-P energy: -98.557
bonds (distance) P-C4' energy: -120.831
flat angles C4'-P-C4' energy: -101.364
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -16.214
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: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -660.251946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.251946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.251946 (E_RNA)
where:
Base-Base interactions energy: -327.955
where: short stacking energy: -169.951
Base-Backbone interact. energy: 0.581
local terms energy: -332.877556
where:
bonds (distance) C4'-P energy: -98.617
bonds (distance) P-C4' energy: -118.825
flat angles C4'-P-C4' energy: -77.901
flat angles P-C4'-P energy: -45.024
tors. eta vs tors. theta energy: 7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -440.545371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.545371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.545371 (E_RNA)
where:
Base-Base interactions energy: -156.178
where: short stacking energy: -94.569
Base-Backbone interact. energy: -2.103
local terms energy: -282.264126
where:
bonds (distance) C4'-P energy: -80.888
bonds (distance) P-C4' energy: -114.670
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -43.028
tors. eta vs tors. theta energy: 33.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2157.463731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.463731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.463731 (E_RNA)
where:
Base-Base interactions energy: -1486.186
where: short stacking energy: -611.679
Base-Backbone interact. energy: -4.032
local terms energy: -667.245943
where:
bonds (distance) C4'-P energy: -124.832
bonds (distance) P-C4' energy: -128.180
flat angles C4'-P-C4' energy: -141.854
flat angles P-C4'-P energy: -91.272
tors. eta vs tors. theta energy: -181.108
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: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2063.054523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.054523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.054523 (E_RNA)
where:
Base-Base interactions energy: -1403.124
where: short stacking energy: -593.797
Base-Backbone interact. energy: -1.897
local terms energy: -658.032577
where:
bonds (distance) C4'-P energy: -116.855
bonds (distance) P-C4' energy: -120.014
flat angles C4'-P-C4' energy: -141.611
flat angles P-C4'-P energy: -90.313
tors. eta vs tors. theta energy: -189.239
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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1959.831887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.831887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.831887 (E_RNA)
where:
Base-Base interactions energy: -1353.001
where: short stacking energy: -563.223
Base-Backbone interact. energy: -2.094
local terms energy: -604.736968
where:
bonds (distance) C4'-P energy: -102.795
bonds (distance) P-C4' energy: -122.898
flat angles C4'-P-C4' energy: -117.596
flat angles P-C4'-P energy: -91.306
tors. eta vs tors. theta energy: -170.142
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: 437
Temperature: 1.050000
Total energy: -1795.315147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.315147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.315147 (E_RNA)
where:
Base-Base interactions energy: -1238.294
where: short stacking energy: -528.082
Base-Backbone interact. energy: -0.943
local terms energy: -556.078562
where:
bonds (distance) C4'-P energy: -103.356
bonds (distance) P-C4' energy: -102.595
flat angles C4'-P-C4' energy: -117.378
flat angles P-C4'-P energy: -71.835
tors. eta vs tors. theta energy: -160.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1814.832736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.832736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.832736 (E_RNA)
where:
Base-Base interactions energy: -1212.680
where: short stacking energy: -512.488
Base-Backbone interact. energy: 0.590
local terms energy: -602.743086
where:
bonds (distance) C4'-P energy: -110.197
bonds (distance) P-C4' energy: -116.143
flat angles C4'-P-C4' energy: -134.239
flat angles P-C4'-P energy: -88.942
tors. eta vs tors. theta energy: -153.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1654.301534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.301534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.301534 (E_RNA)
where:
Base-Base interactions energy: -1113.551
where: short stacking energy: -463.464
Base-Backbone interact. energy: -4.551
local terms energy: -536.199343
where:
bonds (distance) C4'-P energy: -107.882
bonds (distance) P-C4' energy: -92.915
flat angles C4'-P-C4' energy: -123.478
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -138.332
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: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1413.369153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.369153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.369153 (E_RNA)
where:
Base-Base interactions energy: -943.582
where: short stacking energy: -400.422
Base-Backbone interact. energy: -1.416
local terms energy: -468.371430
where:
bonds (distance) C4'-P energy: -93.415
bonds (distance) P-C4' energy: -100.678
flat angles C4'-P-C4' energy: -119.844
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -111.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1005.963877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.963877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.963877 (E_RNA)
where:
Base-Base interactions energy: -618.171
where: short stacking energy: -270.638
Base-Backbone interact. energy: -4.047
local terms energy: -383.745676
where:
bonds (distance) C4'-P energy: -99.569
bonds (distance) P-C4' energy: -93.923
flat angles C4'-P-C4' energy: -103.382
flat angles P-C4'-P energy: -58.097
tors. eta vs tors. theta energy: -28.774
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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -687.502318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.502318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.502318 (E_RNA)
where:
Base-Base interactions energy: -372.298
where: short stacking energy: -208.689
Base-Backbone interact. energy: -2.505
local terms energy: -312.699038
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -75.311
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -51.655
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -481.665938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.665938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.665938 (E_RNA)
where:
Base-Base interactions energy: -157.134
where: short stacking energy: -126.802
Base-Backbone interact. energy: -2.365
local terms energy: -322.167360
where:
bonds (distance) C4'-P energy: -94.558
bonds (distance) P-C4' energy: -108.190
flat angles C4'-P-C4' energy: -99.963
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: 9.064
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: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2171.401709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.401709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.401709 (E_RNA)
where:
Base-Base interactions energy: -1511.872
where: short stacking energy: -629.505
Base-Backbone interact. energy: 0.576
local terms energy: -660.105569
where:
bonds (distance) C4'-P energy: -120.714
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -141.928
flat angles P-C4'-P energy: -91.426
tors. eta vs tors. theta energy: -182.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2025.762949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.762949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.762949 (E_RNA)
where:
Base-Base interactions energy: -1364.898
where: short stacking energy: -562.347
Base-Backbone interact. energy: -0.105
local terms energy: -660.759404
where:
bonds (distance) C4'-P energy: -120.099
bonds (distance) P-C4' energy: -115.050
flat angles C4'-P-C4' energy: -133.521
flat angles P-C4'-P energy: -105.979
tors. eta vs tors. theta energy: -186.112
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: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2018.920759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.920759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.920759 (E_RNA)
where:
Base-Base interactions energy: -1396.739
where: short stacking energy: -573.838
Base-Backbone interact. energy: -0.933
local terms energy: -621.248994
where:
bonds (distance) C4'-P energy: -115.441
bonds (distance) P-C4' energy: -121.442
flat angles C4'-P-C4' energy: -129.676
flat angles P-C4'-P energy: -84.797
tors. eta vs tors. theta energy: -169.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1834.123509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.123509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.123509 (E_RNA)
where:
Base-Base interactions energy: -1241.394
where: short stacking energy: -536.471
Base-Backbone interact. energy: -1.901
local terms energy: -590.828562
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -130.727
flat angles P-C4'-P energy: -79.240
tors. eta vs tors. theta energy: -150.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1751.388164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.388164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.388164 (E_RNA)
where:
Base-Base interactions energy: -1183.994
where: short stacking energy: -496.559
Base-Backbone interact. energy: -2.080
local terms energy: -565.313794
where:
bonds (distance) C4'-P energy: -130.948
bonds (distance) P-C4' energy: -86.096
flat angles C4'-P-C4' energy: -124.329
flat angles P-C4'-P energy: -83.971
tors. eta vs tors. theta energy: -139.970
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: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1636.323308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.323308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.323308 (E_RNA)
where:
Base-Base interactions energy: -1097.969
where: short stacking energy: -443.089
Base-Backbone interact. energy: -0.608
local terms energy: -537.746669
where:
bonds (distance) C4'-P energy: -100.048
bonds (distance) P-C4' energy: -106.814
flat angles C4'-P-C4' energy: -121.539
flat angles P-C4'-P energy: -76.566
tors. eta vs tors. theta energy: -132.780
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1466.124699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.124699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.124699 (E_RNA)
where:
Base-Base interactions energy: -951.807
where: short stacking energy: -407.022
Base-Backbone interact. energy: -1.774
local terms energy: -512.543795
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -115.696
flat angles C4'-P-C4' energy: -109.685
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -101.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -960.881731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.881731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.881731 (E_RNA)
where:
Base-Base interactions energy: -550.076
where: short stacking energy: -267.207
Base-Backbone interact. energy: 0.213
local terms energy: -411.018593
where:
bonds (distance) C4'-P energy: -99.842
bonds (distance) P-C4' energy: -101.579
flat angles C4'-P-C4' energy: -100.226
flat angles P-C4'-P energy: -66.999
tors. eta vs tors. theta energy: -42.373
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: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -724.422828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.422828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.422828 (E_RNA)
where:
Base-Base interactions energy: -366.277
where: short stacking energy: -199.186
Base-Backbone interact. energy: -1.996
local terms energy: -356.150025
where:
bonds (distance) C4'-P energy: -99.031
bonds (distance) P-C4' energy: -103.094
flat angles C4'-P-C4' energy: -103.153
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -477.883432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.883432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.883432 (E_RNA)
where:
Base-Base interactions energy: -189.296
where: short stacking energy: -145.367
Base-Backbone interact. energy: 3.080
local terms energy: -291.667430
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -108.548
flat angles C4'-P-C4' energy: -94.328
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: 27.825
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: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2170.270080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.270080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.270080 (E_RNA)
where:
Base-Base interactions energy: -1496.657
where: short stacking energy: -627.025
Base-Backbone interact. energy: -4.438
local terms energy: -669.174942
where:
bonds (distance) C4'-P energy: -117.929
bonds (distance) P-C4' energy: -129.515
flat angles C4'-P-C4' energy: -138.712
flat angles P-C4'-P energy: -87.705
tors. eta vs tors. theta energy: -195.313
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2058.816054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.816054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.816054 (E_RNA)
where:
Base-Base interactions energy: -1421.995
where: short stacking energy: -599.331
Base-Backbone interact. energy: -1.568
local terms energy: -635.252494
where:
bonds (distance) C4'-P energy: -105.664
bonds (distance) P-C4' energy: -121.256
flat angles C4'-P-C4' energy: -135.314
flat angles P-C4'-P energy: -100.654
tors. eta vs tors. theta energy: -172.366
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: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2003.801686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.801686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.801686 (E_RNA)
where:
Base-Base interactions energy: -1386.584
where: short stacking energy: -580.799
Base-Backbone interact. energy: 3.378
local terms energy: -620.595972
where:
bonds (distance) C4'-P energy: -99.153
bonds (distance) P-C4' energy: -117.245
flat angles C4'-P-C4' energy: -136.463
flat angles P-C4'-P energy: -84.244
tors. eta vs tors. theta energy: -183.491
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: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1846.000561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.000561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.000561 (E_RNA)
where:
Base-Base interactions energy: -1234.774
where: short stacking energy: -558.448
Base-Backbone interact. energy: 0.131
local terms energy: -611.358158
where:
bonds (distance) C4'-P energy: -105.666
bonds (distance) P-C4' energy: -132.133
flat angles C4'-P-C4' energy: -122.086
flat angles P-C4'-P energy: -83.610
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1759.381050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.381050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.381050 (E_RNA)
where:
Base-Base interactions energy: -1177.752
where: short stacking energy: -483.378
Base-Backbone interact. energy: -0.464
local terms energy: -581.165067
where:
bonds (distance) C4'-P energy: -106.817
bonds (distance) P-C4' energy: -110.095
flat angles C4'-P-C4' energy: -128.370
flat angles P-C4'-P energy: -79.355
tors. eta vs tors. theta energy: -156.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1607.149031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.149031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.149031 (E_RNA)
where:
Base-Base interactions energy: -1043.790
where: short stacking energy: -450.600
Base-Backbone interact. energy: -3.349
local terms energy: -560.010187
where:
bonds (distance) C4'-P energy: -112.873
bonds (distance) P-C4' energy: -117.627
flat angles C4'-P-C4' energy: -119.472
flat angles P-C4'-P energy: -75.827
tors. eta vs tors. theta energy: -134.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1516.043227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.043227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.043227 (E_RNA)
where:
Base-Base interactions energy: -1003.379
where: short stacking energy: -437.795
Base-Backbone interact. energy: 1.970
local terms energy: -514.634490
where:
bonds (distance) C4'-P energy: -90.987
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -110.965
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -121.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -954.493243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.493243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.493243 (E_RNA)
where:
Base-Base interactions energy: -543.566
where: short stacking energy: -262.716
Base-Backbone interact. energy: -3.468
local terms energy: -407.458956
where:
bonds (distance) C4'-P energy: -93.651
bonds (distance) P-C4' energy: -104.000
flat angles C4'-P-C4' energy: -109.045
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -35.921
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: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -672.741644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.741644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.741644 (E_RNA)
where:
Base-Base interactions energy: -311.745
where: short stacking energy: -185.193
Base-Backbone interact. energy: -2.739
local terms energy: -358.257781
where:
bonds (distance) C4'-P energy: -96.831
bonds (distance) P-C4' energy: -118.958
flat angles C4'-P-C4' energy: -113.182
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: 7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -504.793529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.793529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.793529 (E_RNA)
where:
Base-Base interactions energy: -186.443
where: short stacking energy: -133.628
Base-Backbone interact. energy: 2.545
local terms energy: -320.895628
where:
bonds (distance) C4'-P energy: -100.691
bonds (distance) P-C4' energy: -107.317
flat angles C4'-P-C4' energy: -81.153
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2168.329255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.329255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.329255 (E_RNA)
where:
Base-Base interactions energy: -1490.368
where: short stacking energy: -626.391
Base-Backbone interact. energy: -1.127
local terms energy: -676.834851
where:
bonds (distance) C4'-P energy: -109.583
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -144.396
flat angles P-C4'-P energy: -100.679
tors. eta vs tors. theta energy: -193.567
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: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2026.021311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.021311 (E_RNA)
where:
Base-Base interactions energy: -1389.533
where: short stacking energy: -584.498
Base-Backbone interact. energy: -1.026
local terms energy: -635.461993
where:
bonds (distance) C4'-P energy: -115.031
bonds (distance) P-C4' energy: -127.950
flat angles C4'-P-C4' energy: -129.119
flat angles P-C4'-P energy: -93.670
tors. eta vs tors. theta energy: -169.692
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1999.405544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.405544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.405544 (E_RNA)
where:
Base-Base interactions energy: -1368.771
where: short stacking energy: -586.225
Base-Backbone interact. energy: -0.461
local terms energy: -630.174242
where:
bonds (distance) C4'-P energy: -117.762
bonds (distance) P-C4' energy: -118.360
flat angles C4'-P-C4' energy: -131.478
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -173.830
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1848.629642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.629642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.629642 (E_RNA)
where:
Base-Base interactions energy: -1239.512
where: short stacking energy: -525.753
Base-Backbone interact. energy: -2.449
local terms energy: -606.668285
where:
bonds (distance) C4'-P energy: -109.838
bonds (distance) P-C4' energy: -122.312
flat angles C4'-P-C4' energy: -128.151
flat angles P-C4'-P energy: -85.637
tors. eta vs tors. theta energy: -160.730
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: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1732.392707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.392707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.392707 (E_RNA)
where:
Base-Base interactions energy: -1166.594
where: short stacking energy: -484.910
Base-Backbone interact. energy: -2.381
local terms energy: -563.417835
where:
bonds (distance) C4'-P energy: -102.381
bonds (distance) P-C4' energy: -109.784
flat angles C4'-P-C4' energy: -133.276
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -151.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1683.554133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.554133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.554133 (E_RNA)
where:
Base-Base interactions energy: -1146.604
where: short stacking energy: -499.927
Base-Backbone interact. energy: -1.082
local terms energy: -535.868031
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -110.570
flat angles C4'-P-C4' energy: -125.129
flat angles P-C4'-P energy: -70.533
tors. eta vs tors. theta energy: -145.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1507.242421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.242421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.242421 (E_RNA)
where:
Base-Base interactions energy: -974.619
where: short stacking energy: -387.323
Base-Backbone interact. energy: 0.314
local terms energy: -532.936707
where:
bonds (distance) C4'-P energy: -110.697
bonds (distance) P-C4' energy: -114.134
flat angles C4'-P-C4' energy: -126.781
flat angles P-C4'-P energy: -64.634
tors. eta vs tors. theta energy: -116.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1001.457214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.457214 (E_RNA)
where:
Base-Base interactions energy: -595.677
where: short stacking energy: -282.368
Base-Backbone interact. energy: 2.968
local terms energy: -408.748427
where:
bonds (distance) C4'-P energy: -96.045
bonds (distance) P-C4' energy: -99.494
flat angles C4'-P-C4' energy: -110.920
flat angles P-C4'-P energy: -65.476
tors. eta vs tors. theta energy: -36.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -617.363053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.363053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.363053 (E_RNA)
where:
Base-Base interactions energy: -262.732
where: short stacking energy: -146.546
Base-Backbone interact. energy: -2.246
local terms energy: -352.385359
where:
bonds (distance) C4'-P energy: -95.070
bonds (distance) P-C4' energy: -110.592
flat angles C4'-P-C4' energy: -103.249
flat angles P-C4'-P energy: -61.133
tors. eta vs tors. theta energy: 17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -452.733416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.733416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.733416 (E_RNA)
where:
Base-Base interactions energy: -151.483
where: short stacking energy: -119.623
Base-Backbone interact. energy: 2.404
local terms energy: -303.654150
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: 31.802
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: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2164.362574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.362574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.362574 (E_RNA)
where:
Base-Base interactions energy: -1524.337
where: short stacking energy: -622.195
Base-Backbone interact. energy: -4.249
local terms energy: -635.775816
where:
bonds (distance) C4'-P energy: -119.625
bonds (distance) P-C4' energy: -133.297
flat angles C4'-P-C4' energy: -135.776
flat angles P-C4'-P energy: -72.716
tors. eta vs tors. theta energy: -174.362
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: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2043.811362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.811362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.811362 (E_RNA)
where:
Base-Base interactions energy: -1422.398
where: short stacking energy: -558.780
Base-Backbone interact. energy: -1.337
local terms energy: -620.075723
where:
bonds (distance) C4'-P energy: -108.611
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -131.235
flat angles P-C4'-P energy: -92.961
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: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2016.716963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.716963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.716963 (E_RNA)
where:
Base-Base interactions energy: -1401.245
where: short stacking energy: -590.465
Base-Backbone interact. energy: -0.453
local terms energy: -615.019477
where:
bonds (distance) C4'-P energy: -121.960
bonds (distance) P-C4' energy: -121.747
flat angles C4'-P-C4' energy: -125.796
flat angles P-C4'-P energy: -70.514
tors. eta vs tors. theta energy: -175.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1838.114847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.114847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.114847 (E_RNA)
where:
Base-Base interactions energy: -1258.972
where: short stacking energy: -549.892
Base-Backbone interact. energy: 0.326
local terms energy: -579.469317
where:
bonds (distance) C4'-P energy: -97.689
bonds (distance) P-C4' energy: -109.833
flat angles C4'-P-C4' energy: -132.062
flat angles P-C4'-P energy: -82.334
tors. eta vs tors. theta energy: -157.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1797.561588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.561588 (E_RNA)
where:
Base-Base interactions energy: -1217.732
where: short stacking energy: -528.691
Base-Backbone interact. energy: 0.518
local terms energy: -580.347101
where:
bonds (distance) C4'-P energy: -112.480
bonds (distance) P-C4' energy: -112.792
flat angles C4'-P-C4' energy: -132.421
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -145.320
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1666.727854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.727854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.727854 (E_RNA)
where:
Base-Base interactions energy: -1109.212
where: short stacking energy: -436.983
Base-Backbone interact. energy: -1.690
local terms energy: -555.825991
where:
bonds (distance) C4'-P energy: -93.381
bonds (distance) P-C4' energy: -116.331
flat angles C4'-P-C4' energy: -123.673
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -140.228
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1461.073153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.073153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.073153 (E_RNA)
where:
Base-Base interactions energy: -959.261
where: short stacking energy: -429.156
Base-Backbone interact. energy: -2.358
local terms energy: -499.454038
where:
bonds (distance) C4'-P energy: -81.898
bonds (distance) P-C4' energy: -108.257
flat angles C4'-P-C4' energy: -116.434
flat angles P-C4'-P energy: -79.376
tors. eta vs tors. theta energy: -113.489
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: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -988.751987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.751987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.751987 (E_RNA)
where:
Base-Base interactions energy: -598.648
where: short stacking energy: -287.520
Base-Backbone interact. energy: -0.372
local terms energy: -389.731939
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -99.910
flat angles C4'-P-C4' energy: -83.685
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -55.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -642.871809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.871809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.871809 (E_RNA)
where:
Base-Base interactions energy: -312.927
where: short stacking energy: -182.556
Base-Backbone interact. energy: -0.785
local terms energy: -329.159753
where:
bonds (distance) C4'-P energy: -109.961
bonds (distance) P-C4' energy: -96.929
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -50.894
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: 441
Temperature: 1.350000
Total energy: -449.757965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.757965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.757965 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -130.424
Base-Backbone interact. energy: 7.772
local terms energy: -290.834775
where:
bonds (distance) C4'-P energy: -86.469
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -78.773
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: 35.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2157.250296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.250296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.250296 (E_RNA)
where:
Base-Base interactions energy: -1513.939
where: short stacking energy: -612.664
Base-Backbone interact. energy: -3.053
local terms energy: -640.258743
where:
bonds (distance) C4'-P energy: -124.351
bonds (distance) P-C4' energy: -118.058
flat angles C4'-P-C4' energy: -136.767
flat angles P-C4'-P energy: -86.291
tors. eta vs tors. theta energy: -174.792
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2028.353027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.353027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.353027 (E_RNA)
where:
Base-Base interactions energy: -1410.313
where: short stacking energy: -573.060
Base-Backbone interact. energy: -2.055
local terms energy: -615.985175
where:
bonds (distance) C4'-P energy: -104.073
bonds (distance) P-C4' energy: -127.256
flat angles C4'-P-C4' energy: -122.883
flat angles P-C4'-P energy: -99.355
tors. eta vs tors. theta energy: -162.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2036.199772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.199772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.199772 (E_RNA)
where:
Base-Base interactions energy: -1404.694
where: short stacking energy: -600.018
Base-Backbone interact. energy: 3.389
local terms energy: -634.894765
where:
bonds (distance) C4'-P energy: -106.915
bonds (distance) P-C4' energy: -116.172
flat angles C4'-P-C4' energy: -135.471
flat angles P-C4'-P energy: -97.571
tors. eta vs tors. theta energy: -178.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1884.574266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.574266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.574266 (E_RNA)
where:
Base-Base interactions energy: -1273.097
where: short stacking energy: -533.255
Base-Backbone interact. energy: 0.519
local terms energy: -611.996423
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -120.490
flat angles C4'-P-C4' energy: -135.866
flat angles P-C4'-P energy: -85.524
tors. eta vs tors. theta energy: -165.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1764.492693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.492693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.492693 (E_RNA)
where:
Base-Base interactions energy: -1180.629
where: short stacking energy: -510.995
Base-Backbone interact. energy: -1.931
local terms energy: -581.933354
where:
bonds (distance) C4'-P energy: -119.432
bonds (distance) P-C4' energy: -108.065
flat angles C4'-P-C4' energy: -128.336
flat angles P-C4'-P energy: -80.898
tors. eta vs tors. theta energy: -145.203
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: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1695.642471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.642471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.642471 (E_RNA)
where:
Base-Base interactions energy: -1163.565
where: short stacking energy: -480.948
Base-Backbone interact. energy: -2.947
local terms energy: -529.131099
where:
bonds (distance) C4'-P energy: -109.635
bonds (distance) P-C4' energy: -93.413
flat angles C4'-P-C4' energy: -118.205
flat angles P-C4'-P energy: -70.885
tors. eta vs tors. theta energy: -136.994
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: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1361.348874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.348874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.348874 (E_RNA)
where:
Base-Base interactions energy: -897.686
where: short stacking energy: -377.396
Base-Backbone interact. energy: -3.786
local terms energy: -459.876949
where:
bonds (distance) C4'-P energy: -108.896
bonds (distance) P-C4' energy: -89.841
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: -96.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -968.722419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.722419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.722419 (E_RNA)
where:
Base-Base interactions energy: -579.050
where: short stacking energy: -250.953
Base-Backbone interact. energy: -1.568
local terms energy: -388.104959
where:
bonds (distance) C4'-P energy: -92.558
bonds (distance) P-C4' energy: -102.751
flat angles C4'-P-C4' energy: -115.538
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: -22.819
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: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -727.167022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.167022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.167022 (E_RNA)
where:
Base-Base interactions energy: -379.311
where: short stacking energy: -191.631
Base-Backbone interact. energy: 1.820
local terms energy: -349.676199
where:
bonds (distance) C4'-P energy: -99.182
bonds (distance) P-C4' energy: -113.636
flat angles C4'-P-C4' energy: -94.313
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: 0.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -443.696156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.696156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.696156 (E_RNA)
where:
Base-Base interactions energy: -106.554
where: short stacking energy: -97.085
Base-Backbone interact. energy: -0.230
local terms energy: -336.912691
where:
bonds (distance) C4'-P energy: -100.095
bonds (distance) P-C4' energy: -111.480
flat angles C4'-P-C4' energy: -96.492
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: 26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2178.556217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.556217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.556217 (E_RNA)
where:
Base-Base interactions energy: -1528.964
where: short stacking energy: -614.454
Base-Backbone interact. energy: -1.309
local terms energy: -648.282802
where:
bonds (distance) C4'-P energy: -113.219
bonds (distance) P-C4' energy: -127.457
flat angles C4'-P-C4' energy: -136.400
flat angles P-C4'-P energy: -86.649
tors. eta vs tors. theta energy: -184.558
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: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2100.451671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.451671 (E_RNA)
where:
Base-Base interactions energy: -1445.369
where: short stacking energy: -612.474
Base-Backbone interact. energy: 3.629
local terms energy: -658.711620
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -121.742
flat angles C4'-P-C4' energy: -136.806
flat angles P-C4'-P energy: -91.742
tors. eta vs tors. theta energy: -189.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1981.726294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.726294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.726294 (E_RNA)
where:
Base-Base interactions energy: -1363.730
where: short stacking energy: -561.392
Base-Backbone interact. energy: -0.636
local terms energy: -617.360905
where:
bonds (distance) C4'-P energy: -110.326
bonds (distance) P-C4' energy: -115.058
flat angles C4'-P-C4' energy: -132.979
flat angles P-C4'-P energy: -91.103
tors. eta vs tors. theta energy: -167.895
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: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1889.776367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.776367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.776367 (E_RNA)
where:
Base-Base interactions energy: -1294.215
where: short stacking energy: -537.435
Base-Backbone interact. energy: -1.057
local terms energy: -594.503630
where:
bonds (distance) C4'-P energy: -114.937
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -130.109
flat angles P-C4'-P energy: -68.943
tors. eta vs tors. theta energy: -171.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1753.886821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.886821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.886821 (E_RNA)
where:
Base-Base interactions energy: -1196.646
where: short stacking energy: -480.151
Base-Backbone interact. energy: -0.925
local terms energy: -556.315408
where:
bonds (distance) C4'-P energy: -117.911
bonds (distance) P-C4' energy: -119.773
flat angles C4'-P-C4' energy: -119.111
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -128.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1627.075311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.075311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.075311 (E_RNA)
where:
Base-Base interactions energy: -1089.505
where: short stacking energy: -448.968
Base-Backbone interact. energy: -2.887
local terms energy: -534.684114
where:
bonds (distance) C4'-P energy: -105.825
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -126.025
flat angles P-C4'-P energy: -74.922
tors. eta vs tors. theta energy: -127.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1348.978626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.978626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.978626 (E_RNA)
where:
Base-Base interactions energy: -909.003
where: short stacking energy: -370.197
Base-Backbone interact. energy: 0.219
local terms energy: -440.195202
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -104.856
flat angles C4'-P-C4' energy: -95.939
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -79.363
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: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -945.108051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.108051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.108051 (E_RNA)
where:
Base-Base interactions energy: -567.580
where: short stacking energy: -294.298
Base-Backbone interact. energy: 0.497
local terms energy: -378.024584
where:
bonds (distance) C4'-P energy: -105.322
bonds (distance) P-C4' energy: -91.241
flat angles C4'-P-C4' energy: -84.183
flat angles P-C4'-P energy: -58.798
tors. eta vs tors. theta energy: -38.481
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: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -680.806835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.806835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.806835 (E_RNA)
where:
Base-Base interactions energy: -323.691
where: short stacking energy: -167.965
Base-Backbone interact. energy: -3.008
local terms energy: -354.107346
where:
bonds (distance) C4'-P energy: -106.708
bonds (distance) P-C4' energy: -120.945
flat angles C4'-P-C4' energy: -77.663
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: 4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -455.504789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.504789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.504789 (E_RNA)
where:
Base-Base interactions energy: -145.065
where: short stacking energy: -123.566
Base-Backbone interact. energy: -1.041
local terms energy: -309.398902
where:
bonds (distance) C4'-P energy: -103.639
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -84.222
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: 23.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2157.574788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.574788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.574788 (E_RNA)
where:
Base-Base interactions energy: -1489.322
where: short stacking energy: -606.495
Base-Backbone interact. energy: -3.488
local terms energy: -664.765017
where:
bonds (distance) C4'-P energy: -116.624
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -131.494
flat angles P-C4'-P energy: -101.833
tors. eta vs tors. theta energy: -181.609
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2120.667067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.667067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.667067 (E_RNA)
where:
Base-Base interactions energy: -1449.137
where: short stacking energy: -597.048
Base-Backbone interact. energy: -5.632
local terms energy: -665.898574
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -128.862
flat angles C4'-P-C4' energy: -135.321
flat angles P-C4'-P energy: -85.886
tors. eta vs tors. theta energy: -195.728
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: 444
Temperature: 1.000000
Total energy: -1988.757807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.757807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.757807 (E_RNA)
where:
Base-Base interactions energy: -1383.746
where: short stacking energy: -578.340
Base-Backbone interact. energy: -3.508
local terms energy: -601.503962
where:
bonds (distance) C4'-P energy: -84.772
bonds (distance) P-C4' energy: -114.075
flat angles C4'-P-C4' energy: -141.056
flat angles P-C4'-P energy: -86.002
tors. eta vs tors. theta energy: -175.599
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: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1884.708367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.708367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.708367 (E_RNA)
where:
Base-Base interactions energy: -1287.638
where: short stacking energy: -536.336
Base-Backbone interact. energy: -0.760
local terms energy: -596.310612
where:
bonds (distance) C4'-P energy: -110.985
bonds (distance) P-C4' energy: -106.456
flat angles C4'-P-C4' energy: -120.687
flat angles P-C4'-P energy: -95.061
tors. eta vs tors. theta energy: -163.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1750.244835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.244835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.244835 (E_RNA)
where:
Base-Base interactions energy: -1159.461
where: short stacking energy: -501.153
Base-Backbone interact. energy: -1.617
local terms energy: -589.166502
where:
bonds (distance) C4'-P energy: -120.603
bonds (distance) P-C4' energy: -111.607
flat angles C4'-P-C4' energy: -131.911
flat angles P-C4'-P energy: -77.308
tors. eta vs tors. theta energy: -147.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1696.403412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.403412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.403412 (E_RNA)
where:
Base-Base interactions energy: -1148.867
where: short stacking energy: -514.976
Base-Backbone interact. energy: -0.134
local terms energy: -547.402242
where:
bonds (distance) C4'-P energy: -100.910
bonds (distance) P-C4' energy: -105.923
flat angles C4'-P-C4' energy: -123.038
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -149.380
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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1380.195565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.195565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.195565 (E_RNA)
where:
Base-Base interactions energy: -889.115
where: short stacking energy: -397.546
Base-Backbone interact. energy: -1.291
local terms energy: -489.789068
where:
bonds (distance) C4'-P energy: -120.421
bonds (distance) P-C4' energy: -91.855
flat angles C4'-P-C4' energy: -116.937
flat angles P-C4'-P energy: -65.591
tors. eta vs tors. theta energy: -94.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -949.536652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.536652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.536652 (E_RNA)
where:
Base-Base interactions energy: -567.903
where: short stacking energy: -267.670
Base-Backbone interact. energy: -2.954
local terms energy: -378.679147
where:
bonds (distance) C4'-P energy: -108.777
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -100.143
flat angles P-C4'-P energy: -44.875
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: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -598.231789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.231789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.231789 (E_RNA)
where:
Base-Base interactions energy: -276.381
where: short stacking energy: -155.976
Base-Backbone interact. energy: -1.936
local terms energy: -319.914852
where:
bonds (distance) C4'-P energy: -94.684
bonds (distance) P-C4' energy: -97.552
flat angles C4'-P-C4' energy: -88.178
flat angles P-C4'-P energy: -54.085
tors. eta vs tors. theta energy: 14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -455.937608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.937608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.937608 (E_RNA)
where:
Base-Base interactions energy: -163.471
where: short stacking energy: -131.784
Base-Backbone interact. energy: 5.775
local terms energy: -298.241580
where:
bonds (distance) C4'-P energy: -92.638
bonds (distance) P-C4' energy: -101.688
flat angles C4'-P-C4' energy: -84.836
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: 22.800
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: 445
Temperature: 0.900000
Total energy: -2145.209722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.209722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.209722 (E_RNA)
where:
Base-Base interactions energy: -1498.034
where: short stacking energy: -611.104
Base-Backbone interact. energy: -2.139
local terms energy: -645.037639
where:
bonds (distance) C4'-P energy: -125.355
bonds (distance) P-C4' energy: -122.865
flat angles C4'-P-C4' energy: -131.923
flat angles P-C4'-P energy: -87.950
tors. eta vs tors. theta energy: -176.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2123.418662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.418662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.418662 (E_RNA)
where:
Base-Base interactions energy: -1446.101
where: short stacking energy: -607.641
Base-Backbone interact. energy: -4.290
local terms energy: -673.027556
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -123.954
flat angles C4'-P-C4' energy: -140.809
flat angles P-C4'-P energy: -94.131
tors. eta vs tors. theta energy: -197.304
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: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1979.911582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.911582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.911582 (E_RNA)
where:
Base-Base interactions energy: -1377.261
where: short stacking energy: -551.453
Base-Backbone interact. energy: -3.271
local terms energy: -599.378942
where:
bonds (distance) C4'-P energy: -115.277
bonds (distance) P-C4' energy: -98.829
flat angles C4'-P-C4' energy: -140.467
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -167.367
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: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1879.829248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.829248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.829248 (E_RNA)
where:
Base-Base interactions energy: -1286.311
where: short stacking energy: -554.435
Base-Backbone interact. energy: 0.453
local terms energy: -593.970979
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -112.840
flat angles C4'-P-C4' energy: -129.193
flat angles P-C4'-P energy: -82.039
tors. eta vs tors. theta energy: -175.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1743.535225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.535225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.535225 (E_RNA)
where:
Base-Base interactions energy: -1192.891
where: short stacking energy: -466.379
Base-Backbone interact. energy: -1.118
local terms energy: -549.525938
where:
bonds (distance) C4'-P energy: -122.029
bonds (distance) P-C4' energy: -104.865
flat angles C4'-P-C4' energy: -121.011
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -134.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1706.191885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.191885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.191885 (E_RNA)
where:
Base-Base interactions energy: -1153.156
where: short stacking energy: -507.458
Base-Backbone interact. energy: -4.413
local terms energy: -548.623298
where:
bonds (distance) C4'-P energy: -87.871
bonds (distance) P-C4' energy: -111.587
flat angles C4'-P-C4' energy: -122.290
flat angles P-C4'-P energy: -89.343
tors. eta vs tors. theta energy: -137.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1349.222316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.222316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.222316 (E_RNA)
where:
Base-Base interactions energy: -873.307
where: short stacking energy: -370.669
Base-Backbone interact. energy: -0.582
local terms energy: -475.333194
where:
bonds (distance) C4'-P energy: -96.389
bonds (distance) P-C4' energy: -117.098
flat angles C4'-P-C4' energy: -98.733
flat angles P-C4'-P energy: -73.271
tors. eta vs tors. theta energy: -89.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -999.413776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.413776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.413776 (E_RNA)
where:
Base-Base interactions energy: -598.757
where: short stacking energy: -281.824
Base-Backbone interact. energy: 2.805
local terms energy: -403.462412
where:
bonds (distance) C4'-P energy: -92.292
bonds (distance) P-C4' energy: -112.906
flat angles C4'-P-C4' energy: -97.138
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -49.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -626.490447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.490447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.490447 (E_RNA)
where:
Base-Base interactions energy: -293.980
where: short stacking energy: -173.264
Base-Backbone interact. energy: 6.872
local terms energy: -339.382222
where:
bonds (distance) C4'-P energy: -93.198
bonds (distance) P-C4' energy: -125.307
flat angles C4'-P-C4' energy: -95.413
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: 18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -491.013122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.013122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.013122 (E_RNA)
where:
Base-Base interactions energy: -168.203
where: short stacking energy: -142.677
Base-Backbone interact. energy: -2.123
local terms energy: -320.687181
where:
bonds (distance) C4'-P energy: -74.341
bonds (distance) P-C4' energy: -125.049
flat angles C4'-P-C4' energy: -70.574
flat angles P-C4'-P energy: -62.561
tors. eta vs tors. theta energy: 11.838
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: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2143.792429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.792429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.792429 (E_RNA)
where:
Base-Base interactions energy: -1472.913
where: short stacking energy: -582.689
Base-Backbone interact. energy: -3.190
local terms energy: -667.689770
where:
bonds (distance) C4'-P energy: -122.280
bonds (distance) P-C4' energy: -130.938
flat angles C4'-P-C4' energy: -140.077
flat angles P-C4'-P energy: -103.838
tors. eta vs tors. theta energy: -170.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2082.169851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.169851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.169851 (E_RNA)
where:
Base-Base interactions energy: -1421.237
where: short stacking energy: -617.121
Base-Backbone interact. energy: -2.644
local terms energy: -658.288530
where:
bonds (distance) C4'-P energy: -113.242
bonds (distance) P-C4' energy: -132.224
flat angles C4'-P-C4' energy: -136.088
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -194.260
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: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1993.439904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.439904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.439904 (E_RNA)
where:
Base-Base interactions energy: -1383.811
where: short stacking energy: -586.057
Base-Backbone interact. energy: 1.844
local terms energy: -611.472135
where:
bonds (distance) C4'-P energy: -106.772
bonds (distance) P-C4' energy: -113.225
flat angles C4'-P-C4' energy: -131.224
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -172.467
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: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1829.901368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.901368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.901368 (E_RNA)
where:
Base-Base interactions energy: -1227.097
where: short stacking energy: -524.347
Base-Backbone interact. energy: -0.241
local terms energy: -602.563827
where:
bonds (distance) C4'-P energy: -135.658
bonds (distance) P-C4' energy: -115.732
flat angles C4'-P-C4' energy: -126.134
flat angles P-C4'-P energy: -81.057
tors. eta vs tors. theta energy: -143.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1754.851326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.851326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.851326 (E_RNA)
where:
Base-Base interactions energy: -1181.604
where: short stacking energy: -482.809
Base-Backbone interact. energy: -0.302
local terms energy: -572.945942
where:
bonds (distance) C4'-P energy: -118.187
bonds (distance) P-C4' energy: -110.808
flat angles C4'-P-C4' energy: -123.478
flat angles P-C4'-P energy: -73.759
tors. eta vs tors. theta energy: -146.714
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: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1675.391177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.391177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.391177 (E_RNA)
where:
Base-Base interactions energy: -1153.538
where: short stacking energy: -486.326
Base-Backbone interact. energy: -2.335
local terms energy: -519.518543
where:
bonds (distance) C4'-P energy: -100.348
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -122.190
flat angles P-C4'-P energy: -69.815
tors. eta vs tors. theta energy: -134.212
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: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1418.359133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.359133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.359133 (E_RNA)
where:
Base-Base interactions energy: -948.987
where: short stacking energy: -413.711
Base-Backbone interact. energy: -3.255
local terms energy: -466.116601
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -108.977
flat angles C4'-P-C4' energy: -106.599
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -98.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -987.442929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.442929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.442929 (E_RNA)
where:
Base-Base interactions energy: -558.746
where: short stacking energy: -269.715
Base-Backbone interact. energy: -3.657
local terms energy: -425.039777
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -118.705
flat angles P-C4'-P energy: -49.585
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: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -636.139694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.139694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.139694 (E_RNA)
where:
Base-Base interactions energy: -317.322
where: short stacking energy: -181.875
Base-Backbone interact. energy: 2.156
local terms energy: -320.973480
where:
bonds (distance) C4'-P energy: -102.512
bonds (distance) P-C4' energy: -97.615
flat angles C4'-P-C4' energy: -73.869
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: 9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -458.324690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.324690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.324690 (E_RNA)
where:
Base-Base interactions energy: -192.252
where: short stacking energy: -135.065
Base-Backbone interact. energy: 4.188
local terms energy: -270.261464
where:
bonds (distance) C4'-P energy: -83.553
bonds (distance) P-C4' energy: -89.933
flat angles C4'-P-C4' energy: -87.008
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: 31.761
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: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2159.070997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.070997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.070997 (E_RNA)
where:
Base-Base interactions energy: -1493.243
where: short stacking energy: -609.210
Base-Backbone interact. energy: -5.912
local terms energy: -659.915695
where:
bonds (distance) C4'-P energy: -126.967
bonds (distance) P-C4' energy: -121.373
flat angles C4'-P-C4' energy: -132.309
flat angles P-C4'-P energy: -101.889
tors. eta vs tors. theta energy: -177.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2105.197359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.197359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.197359 (E_RNA)
where:
Base-Base interactions energy: -1437.935
where: short stacking energy: -613.302
Base-Backbone interact. energy: -2.750
local terms energy: -664.511895
where:
bonds (distance) C4'-P energy: -126.322
bonds (distance) P-C4' energy: -116.511
flat angles C4'-P-C4' energy: -134.691
flat angles P-C4'-P energy: -88.687
tors. eta vs tors. theta energy: -198.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2008.237195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.237195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.237195 (E_RNA)
where:
Base-Base interactions energy: -1366.731
where: short stacking energy: -541.018
Base-Backbone interact. energy: -3.101
local terms energy: -638.405601
where:
bonds (distance) C4'-P energy: -126.321
bonds (distance) P-C4' energy: -123.956
flat angles C4'-P-C4' energy: -122.119
flat angles P-C4'-P energy: -89.792
tors. eta vs tors. theta energy: -176.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1802.011004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.011004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.011004 (E_RNA)
where:
Base-Base interactions energy: -1196.566
where: short stacking energy: -529.458
Base-Backbone interact. energy: -0.301
local terms energy: -605.144761
where:
bonds (distance) C4'-P energy: -116.288
bonds (distance) P-C4' energy: -114.944
flat angles C4'-P-C4' energy: -134.426
flat angles P-C4'-P energy: -77.759
tors. eta vs tors. theta energy: -161.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1726.679688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.679688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.679688 (E_RNA)
where:
Base-Base interactions energy: -1174.636
where: short stacking energy: -485.886
Base-Backbone interact. energy: -0.279
local terms energy: -551.765029
where:
bonds (distance) C4'-P energy: -107.200
bonds (distance) P-C4' energy: -112.973
flat angles C4'-P-C4' energy: -119.441
flat angles P-C4'-P energy: -74.890
tors. eta vs tors. theta energy: -137.261
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1716.825014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.825014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.825014 (E_RNA)
where:
Base-Base interactions energy: -1162.371
where: short stacking energy: -500.607
Base-Backbone interact. energy: 2.453
local terms energy: -556.906870
where:
bonds (distance) C4'-P energy: -105.496
bonds (distance) P-C4' energy: -112.641
flat angles C4'-P-C4' energy: -105.829
flat angles P-C4'-P energy: -78.498
tors. eta vs tors. theta energy: -154.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1477.007333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.007333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.007333 (E_RNA)
where:
Base-Base interactions energy: -973.774
where: short stacking energy: -403.659
Base-Backbone interact. energy: -0.123
local terms energy: -503.110619
where:
bonds (distance) C4'-P energy: -96.175
bonds (distance) P-C4' energy: -116.526
flat angles C4'-P-C4' energy: -113.728
flat angles P-C4'-P energy: -86.888
tors. eta vs tors. theta energy: -89.794
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: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1024.890878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.890878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.890878 (E_RNA)
where:
Base-Base interactions energy: -604.857
where: short stacking energy: -274.583
Base-Backbone interact. energy: -2.703
local terms energy: -417.331198
where:
bonds (distance) C4'-P energy: -102.627
bonds (distance) P-C4' energy: -114.392
flat angles C4'-P-C4' energy: -101.225
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -45.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -614.084466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.084466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.084466 (E_RNA)
where:
Base-Base interactions energy: -269.211
where: short stacking energy: -168.507
Base-Backbone interact. energy: -4.565
local terms energy: -340.308638
where:
bonds (distance) C4'-P energy: -122.085
bonds (distance) P-C4' energy: -100.138
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -51.304
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: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -489.532259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.532259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.532259 (E_RNA)
where:
Base-Base interactions energy: -157.054
where: short stacking energy: -99.154
Base-Backbone interact. energy: -3.502
local terms energy: -328.975895
where:
bonds (distance) C4'-P energy: -113.458
bonds (distance) P-C4' energy: -102.809
flat angles C4'-P-C4' energy: -90.527
flat angles P-C4'-P energy: -63.981
tors. eta vs tors. theta energy: 41.799
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: 448
Temperature: 0.900000
Total energy: -2185.745078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.745078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.745078 (E_RNA)
where:
Base-Base interactions energy: -1511.007
where: short stacking energy: -625.338
Base-Backbone interact. energy: -3.658
local terms energy: -671.080340
where:
bonds (distance) C4'-P energy: -121.223
bonds (distance) P-C4' energy: -135.879
flat angles C4'-P-C4' energy: -138.595
flat angles P-C4'-P energy: -94.488
tors. eta vs tors. theta energy: -180.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2067.618034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.618034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.618034 (E_RNA)
where:
Base-Base interactions energy: -1395.313
where: short stacking energy: -573.497
Base-Backbone interact. energy: -4.170
local terms energy: -668.134609
where:
bonds (distance) C4'-P energy: -123.763
bonds (distance) P-C4' energy: -129.043
flat angles C4'-P-C4' energy: -131.221
flat angles P-C4'-P energy: -92.677
tors. eta vs tors. theta energy: -191.431
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: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2005.423833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.423833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.423833 (E_RNA)
where:
Base-Base interactions energy: -1392.786
where: short stacking energy: -555.675
Base-Backbone interact. energy: -2.499
local terms energy: -610.139073
where:
bonds (distance) C4'-P energy: -109.557
bonds (distance) P-C4' energy: -111.450
flat angles C4'-P-C4' energy: -125.397
flat angles P-C4'-P energy: -89.993
tors. eta vs tors. theta energy: -173.742
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: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1799.189593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.189593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.189593 (E_RNA)
where:
Base-Base interactions energy: -1221.689
where: short stacking energy: -501.327
Base-Backbone interact. energy: -1.604
local terms energy: -575.896514
where:
bonds (distance) C4'-P energy: -103.932
bonds (distance) P-C4' energy: -108.367
flat angles C4'-P-C4' energy: -128.555
flat angles P-C4'-P energy: -85.750
tors. eta vs tors. theta energy: -149.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1826.907003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.907003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.907003 (E_RNA)
where:
Base-Base interactions energy: -1236.198
where: short stacking energy: -501.426
Base-Backbone interact. energy: -0.435
local terms energy: -590.274898
where:
bonds (distance) C4'-P energy: -113.682
bonds (distance) P-C4' energy: -118.499
flat angles C4'-P-C4' energy: -126.115
flat angles P-C4'-P energy: -80.291
tors. eta vs tors. theta energy: -151.687
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: 448
Temperature: 1.150000
Total energy: -1651.082489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.082489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.082489 (E_RNA)
where:
Base-Base interactions energy: -1109.498
where: short stacking energy: -478.328
Base-Backbone interact. energy: -2.519
local terms energy: -539.065877
where:
bonds (distance) C4'-P energy: -124.405
bonds (distance) P-C4' energy: -93.181
flat angles C4'-P-C4' energy: -123.207
flat angles P-C4'-P energy: -59.410
tors. eta vs tors. theta energy: -138.863
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1400.684478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.684478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.684478 (E_RNA)
where:
Base-Base interactions energy: -921.874
where: short stacking energy: -384.206
Base-Backbone interact. energy: -2.455
local terms energy: -476.356034
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -110.550
flat angles C4'-P-C4' energy: -104.903
flat angles P-C4'-P energy: -62.174
tors. eta vs tors. theta energy: -99.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1011.345334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.345334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.345334 (E_RNA)
where:
Base-Base interactions energy: -606.600
where: short stacking energy: -292.799
Base-Backbone interact. energy: 3.200
local terms energy: -407.945189
where:
bonds (distance) C4'-P energy: -90.942
bonds (distance) P-C4' energy: -121.234
flat angles C4'-P-C4' energy: -103.262
flat angles P-C4'-P energy: -62.964
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -617.236737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.236737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.236737 (E_RNA)
where:
Base-Base interactions energy: -276.358
where: short stacking energy: -152.725
Base-Backbone interact. energy: 5.082
local terms energy: -345.960824
where:
bonds (distance) C4'-P energy: -108.878
bonds (distance) P-C4' energy: -118.281
flat angles C4'-P-C4' energy: -91.516
flat angles P-C4'-P energy: -35.500
tors. eta vs tors. theta energy: 8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -477.168495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.168495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.168495 (E_RNA)
where:
Base-Base interactions energy: -188.569
where: short stacking energy: -131.612
Base-Backbone interact. energy: 2.484
local terms energy: -291.083458
where:
bonds (distance) C4'-P energy: -97.452
bonds (distance) P-C4' energy: -107.925
flat angles C4'-P-C4' energy: -77.392
flat angles P-C4'-P energy: -41.379
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: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2136.596908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.596908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.596908 (E_RNA)
where:
Base-Base interactions energy: -1468.992
where: short stacking energy: -607.475
Base-Backbone interact. energy: -0.550
local terms energy: -667.055484
where:
bonds (distance) C4'-P energy: -118.046
bonds (distance) P-C4' energy: -118.188
flat angles C4'-P-C4' energy: -148.783
flat angles P-C4'-P energy: -101.063
tors. eta vs tors. theta energy: -180.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2065.048276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.048276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.048276 (E_RNA)
where:
Base-Base interactions energy: -1388.984
where: short stacking energy: -590.230
Base-Backbone interact. energy: 0.366
local terms energy: -676.429619
where:
bonds (distance) C4'-P energy: -121.218
bonds (distance) P-C4' energy: -138.686
flat angles C4'-P-C4' energy: -138.121
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -191.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1983.671830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.671830 (E_RNA)
where:
Base-Base interactions energy: -1368.103
where: short stacking energy: -555.829
Base-Backbone interact. energy: 4.447
local terms energy: -620.016564
where:
bonds (distance) C4'-P energy: -124.611
bonds (distance) P-C4' energy: -118.032
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -86.317
tors. eta vs tors. theta energy: -168.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1799.242085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.242085 (E_RNA)
where:
Base-Base interactions energy: -1201.439
where: short stacking energy: -507.503
Base-Backbone interact. energy: -2.151
local terms energy: -595.652476
where:
bonds (distance) C4'-P energy: -102.599
bonds (distance) P-C4' energy: -123.440
flat angles C4'-P-C4' energy: -132.097
flat angles P-C4'-P energy: -87.974
tors. eta vs tors. theta energy: -149.543
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1753.069986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.069986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.069986 (E_RNA)
where:
Base-Base interactions energy: -1214.677
where: short stacking energy: -486.479
Base-Backbone interact. energy: -2.213
local terms energy: -536.179903
where:
bonds (distance) C4'-P energy: -109.042
bonds (distance) P-C4' energy: -92.861
flat angles C4'-P-C4' energy: -117.558
flat angles P-C4'-P energy: -73.355
tors. eta vs tors. theta energy: -143.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1678.062720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.062720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.062720 (E_RNA)
where:
Base-Base interactions energy: -1120.373
where: short stacking energy: -468.241
Base-Backbone interact. energy: -0.030
local terms energy: -557.659826
where:
bonds (distance) C4'-P energy: -107.153
bonds (distance) P-C4' energy: -100.796
flat angles C4'-P-C4' energy: -123.986
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -157.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1394.916833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.916833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.916833 (E_RNA)
where:
Base-Base interactions energy: -901.069
where: short stacking energy: -400.049
Base-Backbone interact. energy: -3.165
local terms energy: -490.682229
where:
bonds (distance) C4'-P energy: -104.785
bonds (distance) P-C4' energy: -111.751
flat angles C4'-P-C4' energy: -122.412
flat angles P-C4'-P energy: -65.179
tors. eta vs tors. theta energy: -86.556
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: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1010.358441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.358441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.358441 (E_RNA)
where:
Base-Base interactions energy: -597.405
where: short stacking energy: -272.669
Base-Backbone interact. energy: -0.791
local terms energy: -412.163172
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -81.761
flat angles P-C4'-P energy: -69.765
tors. eta vs tors. theta energy: -39.746
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -633.220800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.220800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.220800 (E_RNA)
where:
Base-Base interactions energy: -271.905
where: short stacking energy: -170.006
Base-Backbone interact. energy: 0.140
local terms energy: -361.455874
where:
bonds (distance) C4'-P energy: -95.493
bonds (distance) P-C4' energy: -121.389
flat angles C4'-P-C4' energy: -82.564
flat angles P-C4'-P energy: -67.073
tors. eta vs tors. theta energy: 5.063
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: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -470.142759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.142759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.142759 (E_RNA)
where:
Base-Base interactions energy: -140.799
where: short stacking energy: -122.005
Base-Backbone interact. energy: 0.607
local terms energy: -329.950676
where:
bonds (distance) C4'-P energy: -99.726
bonds (distance) P-C4' energy: -118.454
flat angles C4'-P-C4' energy: -84.756
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: 27.292
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: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2150.252383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.252383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.252383 (E_RNA)
where:
Base-Base interactions energy: -1470.029
where: short stacking energy: -615.706
Base-Backbone interact. energy: -3.168
local terms energy: -677.055396
where:
bonds (distance) C4'-P energy: -128.506
bonds (distance) P-C4' energy: -120.587
flat angles C4'-P-C4' energy: -144.180
flat angles P-C4'-P energy: -95.846
tors. eta vs tors. theta energy: -187.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2076.235524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.235524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.235524 (E_RNA)
where:
Base-Base interactions energy: -1444.206
where: short stacking energy: -597.419
Base-Backbone interact. energy: -0.899
local terms energy: -631.131093
where:
bonds (distance) C4'-P energy: -115.990
bonds (distance) P-C4' energy: -100.329
flat angles C4'-P-C4' energy: -132.500
flat angles P-C4'-P energy: -97.733
tors. eta vs tors. theta energy: -184.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1966.682134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.682134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.682134 (E_RNA)
where:
Base-Base interactions energy: -1338.820
where: short stacking energy: -553.264
Base-Backbone interact. energy: -5.080
local terms energy: -622.781885
where:
bonds (distance) C4'-P energy: -113.963
bonds (distance) P-C4' energy: -116.085
flat angles C4'-P-C4' energy: -121.871
flat angles P-C4'-P energy: -97.962
tors. eta vs tors. theta energy: -172.901
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: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1804.630602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.630602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.630602 (E_RNA)
where:
Base-Base interactions energy: -1212.586
where: short stacking energy: -513.733
Base-Backbone interact. energy: -3.186
local terms energy: -588.858115
where:
bonds (distance) C4'-P energy: -96.974
bonds (distance) P-C4' energy: -120.483
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -92.910
tors. eta vs tors. theta energy: -153.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1813.304065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.304065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.304065 (E_RNA)
where:
Base-Base interactions energy: -1217.774
where: short stacking energy: -544.619
Base-Backbone interact. energy: 0.298
local terms energy: -595.827215
where:
bonds (distance) C4'-P energy: -116.745
bonds (distance) P-C4' energy: -105.275
flat angles C4'-P-C4' energy: -123.162
flat angles P-C4'-P energy: -89.168
tors. eta vs tors. theta energy: -161.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1701.988889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.988889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.988889 (E_RNA)
where:
Base-Base interactions energy: -1149.592
where: short stacking energy: -467.002
Base-Backbone interact. energy: -0.605
local terms energy: -551.792128
where:
bonds (distance) C4'-P energy: -92.857
bonds (distance) P-C4' energy: -130.509
flat angles C4'-P-C4' energy: -113.789
flat angles P-C4'-P energy: -73.644
tors. eta vs tors. theta energy: -140.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1377.707838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.707838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.707838 (E_RNA)
where:
Base-Base interactions energy: -923.039
where: short stacking energy: -397.995
Base-Backbone interact. energy: 2.298
local terms energy: -456.967319
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -96.942
flat angles C4'-P-C4' energy: -108.934
flat angles P-C4'-P energy: -65.814
tors. eta vs tors. theta energy: -95.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1007.586947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.586947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.586947 (E_RNA)
where:
Base-Base interactions energy: -617.430
where: short stacking energy: -285.759
Base-Backbone interact. energy: 2.460
local terms energy: -392.617746
where:
bonds (distance) C4'-P energy: -79.083
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -82.616
flat angles P-C4'-P energy: -70.481
tors. eta vs tors. theta energy: -57.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -590.591437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.591437 (E_RNA)
where:
Base-Base interactions energy: -265.609
where: short stacking energy: -194.512
Base-Backbone interact. energy: -0.754
local terms energy: -324.229144
where:
bonds (distance) C4'-P energy: -95.533
bonds (distance) P-C4' energy: -102.621
flat angles C4'-P-C4' energy: -78.486
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: 7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -486.129224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.129224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.129224 (E_RNA)
where:
Base-Base interactions energy: -164.888
where: short stacking energy: -113.970
Base-Backbone interact. energy: -0.369
local terms energy: -320.872043
where:
bonds (distance) C4'-P energy: -96.647
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -46.057
tors. eta vs tors. theta energy: 11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2152.555026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.555026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.555026 (E_RNA)
where:
Base-Base interactions energy: -1483.199
where: short stacking energy: -608.218
Base-Backbone interact. energy: -4.348
local terms energy: -665.008404
where:
bonds (distance) C4'-P energy: -122.392
bonds (distance) P-C4' energy: -110.345
flat angles C4'-P-C4' energy: -142.944
flat angles P-C4'-P energy: -107.242
tors. eta vs tors. theta energy: -182.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2077.548773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.548773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.548773 (E_RNA)
where:
Base-Base interactions energy: -1442.682
where: short stacking energy: -600.285
Base-Backbone interact. energy: 4.383
local terms energy: -639.249661
where:
bonds (distance) C4'-P energy: -117.227
bonds (distance) P-C4' energy: -120.728
flat angles C4'-P-C4' energy: -130.998
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -196.248
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1983.559115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.559115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.559115 (E_RNA)
where:
Base-Base interactions energy: -1372.313
where: short stacking energy: -533.569
Base-Backbone interact. energy: -1.640
local terms energy: -609.605665
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -107.096
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -77.135
tors. eta vs tors. theta energy: -168.333
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: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1845.312855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.312855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.312855 (E_RNA)
where:
Base-Base interactions energy: -1242.521
where: short stacking energy: -505.955
Base-Backbone interact. energy: -3.700
local terms energy: -599.091793
where:
bonds (distance) C4'-P energy: -121.553
bonds (distance) P-C4' energy: -102.909
flat angles C4'-P-C4' energy: -120.955
flat angles P-C4'-P energy: -99.111
tors. eta vs tors. theta energy: -154.564
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: 451
Temperature: 1.100000
Total energy: -1773.464009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.464009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.464009 (E_RNA)
where:
Base-Base interactions energy: -1193.658
where: short stacking energy: -517.042
Base-Backbone interact. energy: -1.613
local terms energy: -578.193358
where:
bonds (distance) C4'-P energy: -110.440
bonds (distance) P-C4' energy: -114.771
flat angles C4'-P-C4' energy: -121.253
flat angles P-C4'-P energy: -70.601
tors. eta vs tors. theta energy: -161.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1664.042283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.042283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.042283 (E_RNA)
where:
Base-Base interactions energy: -1122.257
where: short stacking energy: -469.310
Base-Backbone interact. energy: -0.523
local terms energy: -541.261760
where:
bonds (distance) C4'-P energy: -103.293
bonds (distance) P-C4' energy: -98.145
flat angles C4'-P-C4' energy: -126.051
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -139.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1402.201064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.201064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.201064 (E_RNA)
where:
Base-Base interactions energy: -903.941
where: short stacking energy: -411.964
Base-Backbone interact. energy: 0.074
local terms energy: -498.334375
where:
bonds (distance) C4'-P energy: -104.713
bonds (distance) P-C4' energy: -107.810
flat angles C4'-P-C4' energy: -113.957
flat angles P-C4'-P energy: -70.254
tors. eta vs tors. theta energy: -101.600
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1035.760690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.760690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.760690 (E_RNA)
where:
Base-Base interactions energy: -635.431
where: short stacking energy: -282.132
Base-Backbone interact. energy: -3.671
local terms energy: -396.658412
where:
bonds (distance) C4'-P energy: -109.520
bonds (distance) P-C4' energy: -101.982
flat angles C4'-P-C4' energy: -89.870
flat angles P-C4'-P energy: -65.156
tors. eta vs tors. theta energy: -30.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -607.380552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.380552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.380552 (E_RNA)
where:
Base-Base interactions energy: -259.836
where: short stacking energy: -173.375
Base-Backbone interact. energy: 1.492
local terms energy: -349.036649
where:
bonds (distance) C4'-P energy: -94.591
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -90.684
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -2.598
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: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -457.814494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.814494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.814494 (E_RNA)
where:
Base-Base interactions energy: -173.785
where: short stacking energy: -147.543
Base-Backbone interact. energy: 5.368
local terms energy: -289.397852
where:
bonds (distance) C4'-P energy: -92.396
bonds (distance) P-C4' energy: -107.714
flat angles C4'-P-C4' energy: -78.056
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: 30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2139.077530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.077530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.077530 (E_RNA)
where:
Base-Base interactions energy: -1475.109
where: short stacking energy: -623.995
Base-Backbone interact. energy: -4.366
local terms energy: -659.602528
where:
bonds (distance) C4'-P energy: -116.220
bonds (distance) P-C4' energy: -116.754
flat angles C4'-P-C4' energy: -139.329
flat angles P-C4'-P energy: -97.623
tors. eta vs tors. theta energy: -189.677
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2084.370434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.370434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.370434 (E_RNA)
where:
Base-Base interactions energy: -1444.532
where: short stacking energy: -620.622
Base-Backbone interact. energy: -2.576
local terms energy: -637.262679
where:
bonds (distance) C4'-P energy: -112.618
bonds (distance) P-C4' energy: -110.705
flat angles C4'-P-C4' energy: -131.305
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -204.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1998.399190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.399190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.399190 (E_RNA)
where:
Base-Base interactions energy: -1397.581
where: short stacking energy: -577.968
Base-Backbone interact. energy: -1.710
local terms energy: -599.107565
where:
bonds (distance) C4'-P energy: -113.059
bonds (distance) P-C4' energy: -106.984
flat angles C4'-P-C4' energy: -123.838
flat angles P-C4'-P energy: -85.829
tors. eta vs tors. theta energy: -169.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1902.953404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.953404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.953404 (E_RNA)
where:
Base-Base interactions energy: -1294.317
where: short stacking energy: -554.264
Base-Backbone interact. energy: -0.505
local terms energy: -608.131625
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -126.858
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -158.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1799.787233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.787233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.787233 (E_RNA)
where:
Base-Base interactions energy: -1203.483
where: short stacking energy: -505.797
Base-Backbone interact. energy: -1.719
local terms energy: -594.585286
where:
bonds (distance) C4'-P energy: -125.211
bonds (distance) P-C4' energy: -97.443
flat angles C4'-P-C4' energy: -133.950
flat angles P-C4'-P energy: -86.105
tors. eta vs tors. theta energy: -151.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1659.745921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.745921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.745921 (E_RNA)
where:
Base-Base interactions energy: -1111.680
where: short stacking energy: -454.591
Base-Backbone interact. energy: -0.645
local terms energy: -547.420710
where:
bonds (distance) C4'-P energy: -112.652
bonds (distance) P-C4' energy: -114.162
flat angles C4'-P-C4' energy: -106.042
flat angles P-C4'-P energy: -81.130
tors. eta vs tors. theta energy: -133.434
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: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1466.085410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.085410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.085410 (E_RNA)
where:
Base-Base interactions energy: -964.066
where: short stacking energy: -433.535
Base-Backbone interact. energy: -3.058
local terms energy: -498.961634
where:
bonds (distance) C4'-P energy: -110.518
bonds (distance) P-C4' energy: -114.649
flat angles C4'-P-C4' energy: -106.059
flat angles P-C4'-P energy: -64.147
tors. eta vs tors. theta energy: -103.589
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: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1009.069735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.069735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.069735 (E_RNA)
where:
Base-Base interactions energy: -623.882
where: short stacking energy: -267.252
Base-Backbone interact. energy: -3.623
local terms energy: -381.564846
where:
bonds (distance) C4'-P energy: -99.226
bonds (distance) P-C4' energy: -117.042
flat angles C4'-P-C4' energy: -73.683
flat angles P-C4'-P energy: -65.595
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -668.583628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.583628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.583628 (E_RNA)
where:
Base-Base interactions energy: -330.953
where: short stacking energy: -181.027
Base-Backbone interact. energy: 0.448
local terms energy: -338.078108
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -109.673
flat angles C4'-P-C4' energy: -84.715
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: 3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -459.217941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.217941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.217941 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -131.013
Base-Backbone interact. energy: 2.087
local terms energy: -307.332664
where:
bonds (distance) C4'-P energy: -87.480
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -93.628
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: 22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2114.232740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.232740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.232740 (E_RNA)
where:
Base-Base interactions energy: -1472.628
where: short stacking energy: -600.304
Base-Backbone interact. energy: 1.247
local terms energy: -642.851528
where:
bonds (distance) C4'-P energy: -109.515
bonds (distance) P-C4' energy: -114.858
flat angles C4'-P-C4' energy: -140.333
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -181.739
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: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2056.492363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.492363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.492363 (E_RNA)
where:
Base-Base interactions energy: -1400.913
where: short stacking energy: -587.625
Base-Backbone interact. energy: 0.433
local terms energy: -656.013000
where:
bonds (distance) C4'-P energy: -123.836
bonds (distance) P-C4' energy: -115.672
flat angles C4'-P-C4' energy: -143.105
flat angles P-C4'-P energy: -81.109
tors. eta vs tors. theta energy: -192.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1991.434156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.434156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.434156 (E_RNA)
where:
Base-Base interactions energy: -1362.508
where: short stacking energy: -552.714
Base-Backbone interact. energy: -3.799
local terms energy: -625.126590
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -122.658
flat angles C4'-P-C4' energy: -125.512
flat angles P-C4'-P energy: -96.377
tors. eta vs tors. theta energy: -170.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1849.192680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.192680 (E_RNA)
where:
Base-Base interactions energy: -1263.593
where: short stacking energy: -514.810
Base-Backbone interact. energy: -3.441
local terms energy: -582.159183
where:
bonds (distance) C4'-P energy: -110.806
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -68.886
tors. eta vs tors. theta energy: -161.002
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: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1787.567887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.567887 (E_RNA)
where:
Base-Base interactions energy: -1218.808
where: short stacking energy: -509.979
Base-Backbone interact. energy: -1.278
local terms energy: -567.481920
where:
bonds (distance) C4'-P energy: -105.279
bonds (distance) P-C4' energy: -100.636
flat angles C4'-P-C4' energy: -126.642
flat angles P-C4'-P energy: -79.450
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: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1661.500844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.500844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.500844 (E_RNA)
where:
Base-Base interactions energy: -1099.496
where: short stacking energy: -458.110
Base-Backbone interact. energy: -0.298
local terms energy: -561.707724
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -114.002
flat angles C4'-P-C4' energy: -120.240
flat angles P-C4'-P energy: -78.045
tors. eta vs tors. theta energy: -140.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1443.280728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.280728 (E_RNA)
where:
Base-Base interactions energy: -944.476
where: short stacking energy: -392.355
Base-Backbone interact. energy: -0.761
local terms energy: -498.043186
where:
bonds (distance) C4'-P energy: -108.823
bonds (distance) P-C4' energy: -105.413
flat angles C4'-P-C4' energy: -119.494
flat angles P-C4'-P energy: -68.248
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: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -979.102376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.102376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.102376 (E_RNA)
where:
Base-Base interactions energy: -577.903
where: short stacking energy: -270.516
Base-Backbone interact. energy: 0.973
local terms energy: -402.171763
where:
bonds (distance) C4'-P energy: -109.275
bonds (distance) P-C4' energy: -104.841
flat angles C4'-P-C4' energy: -92.087
flat angles P-C4'-P energy: -48.224
tors. eta vs tors. theta energy: -47.746
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: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -641.406674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.406674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.406674 (E_RNA)
where:
Base-Base interactions energy: -303.755
where: short stacking energy: -182.811
Base-Backbone interact. energy: -2.504
local terms energy: -335.147453
where:
bonds (distance) C4'-P energy: -82.929
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -88.006
flat angles P-C4'-P energy: -65.378
tors. eta vs tors. theta energy: 5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -457.832427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.832427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.832427 (E_RNA)
where:
Base-Base interactions energy: -162.508
where: short stacking energy: -130.785
Base-Backbone interact. energy: 4.793
local terms energy: -300.116608
where:
bonds (distance) C4'-P energy: -85.479
bonds (distance) P-C4' energy: -108.228
flat angles C4'-P-C4' energy: -88.724
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: 29.808
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: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2112.043061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.043061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.043061 (E_RNA)
where:
Base-Base interactions energy: -1463.933
where: short stacking energy: -576.808
Base-Backbone interact. energy: -1.383
local terms energy: -646.727436
where:
bonds (distance) C4'-P energy: -125.110
bonds (distance) P-C4' energy: -118.308
flat angles C4'-P-C4' energy: -137.170
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -170.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2093.653358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.653358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.653358 (E_RNA)
where:
Base-Base interactions energy: -1423.768
where: short stacking energy: -609.655
Base-Backbone interact. energy: -1.774
local terms energy: -668.111256
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -124.356
flat angles C4'-P-C4' energy: -133.170
flat angles P-C4'-P energy: -96.532
tors. eta vs tors. theta energy: -193.663
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1977.059383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.059383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.059383 (E_RNA)
where:
Base-Base interactions energy: -1371.487
where: short stacking energy: -569.687
Base-Backbone interact. energy: -1.759
local terms energy: -603.813770
where:
bonds (distance) C4'-P energy: -108.868
bonds (distance) P-C4' energy: -104.037
flat angles C4'-P-C4' energy: -128.453
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -171.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1856.073009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.073009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.073009 (E_RNA)
where:
Base-Base interactions energy: -1258.284
where: short stacking energy: -552.321
Base-Backbone interact. energy: -1.432
local terms energy: -596.356988
where:
bonds (distance) C4'-P energy: -112.464
bonds (distance) P-C4' energy: -109.716
flat angles C4'-P-C4' energy: -117.916
flat angles P-C4'-P energy: -73.183
tors. eta vs tors. theta energy: -183.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1785.388027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.388027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.388027 (E_RNA)
where:
Base-Base interactions energy: -1220.761
where: short stacking energy: -514.795
Base-Backbone interact. energy: -0.898
local terms energy: -563.728949
where:
bonds (distance) C4'-P energy: -97.510
bonds (distance) P-C4' energy: -116.960
flat angles C4'-P-C4' energy: -108.026
flat angles P-C4'-P energy: -89.682
tors. eta vs tors. theta energy: -151.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1602.131364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.131364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.131364 (E_RNA)
where:
Base-Base interactions energy: -1049.291
where: short stacking energy: -436.931
Base-Backbone interact. energy: -2.201
local terms energy: -550.638862
where:
bonds (distance) C4'-P energy: -92.034
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -90.688
tors. eta vs tors. theta energy: -128.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1386.500745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.500745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.500745 (E_RNA)
where:
Base-Base interactions energy: -919.806
where: short stacking energy: -395.860
Base-Backbone interact. energy: -2.684
local terms energy: -464.010651
where:
bonds (distance) C4'-P energy: -63.757
bonds (distance) P-C4' energy: -118.242
flat angles C4'-P-C4' energy: -99.704
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: -111.964
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: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -979.051571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.051571 (E_RNA)
where:
Base-Base interactions energy: -583.370
where: short stacking energy: -231.085
Base-Backbone interact. energy: -0.360
local terms energy: -395.322079
where:
bonds (distance) C4'-P energy: -94.707
bonds (distance) P-C4' energy: -115.572
flat angles C4'-P-C4' energy: -86.315
flat angles P-C4'-P energy: -70.410
tors. eta vs tors. theta energy: -28.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -605.322780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.322780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.322780 (E_RNA)
where:
Base-Base interactions energy: -262.440
where: short stacking energy: -149.080
Base-Backbone interact. energy: 0.840
local terms energy: -343.722908
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -105.778
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -59.064
tors. eta vs tors. theta energy: 17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -526.560008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.560008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.560008 (E_RNA)
where:
Base-Base interactions energy: -208.812
where: short stacking energy: -129.329
Base-Backbone interact. energy: -1.421
local terms energy: -316.327689
where:
bonds (distance) C4'-P energy: -105.001
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -91.241
flat angles P-C4'-P energy: -47.725
tors. eta vs tors. theta energy: 24.696
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: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2108.694408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.694408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.694408 (E_RNA)
where:
Base-Base interactions energy: -1451.051
where: short stacking energy: -592.277
Base-Backbone interact. energy: -1.302
local terms energy: -656.341161
where:
bonds (distance) C4'-P energy: -134.082
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -140.031
flat angles P-C4'-P energy: -83.881
tors. eta vs tors. theta energy: -180.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2130.616281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.616281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.616281 (E_RNA)
where:
Base-Base interactions energy: -1456.874
where: short stacking energy: -612.957
Base-Backbone interact. energy: 1.047
local terms energy: -674.789210
where:
bonds (distance) C4'-P energy: -126.438
bonds (distance) P-C4' energy: -113.566
flat angles C4'-P-C4' energy: -140.512
flat angles P-C4'-P energy: -95.681
tors. eta vs tors. theta energy: -198.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2019.355787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.355787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.355787 (E_RNA)
where:
Base-Base interactions energy: -1375.328
where: short stacking energy: -563.739
Base-Backbone interact. energy: -1.081
local terms energy: -642.946830
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -132.787
flat angles C4'-P-C4' energy: -120.797
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -188.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1884.136345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.136345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.136345 (E_RNA)
where:
Base-Base interactions energy: -1278.951
where: short stacking energy: -573.825
Base-Backbone interact. energy: 0.991
local terms energy: -606.176110
where:
bonds (distance) C4'-P energy: -112.538
bonds (distance) P-C4' energy: -110.240
flat angles C4'-P-C4' energy: -128.666
flat angles P-C4'-P energy: -86.003
tors. eta vs tors. theta energy: -168.729
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1765.414903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.414903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.414903 (E_RNA)
where:
Base-Base interactions energy: -1193.372
where: short stacking energy: -500.198
Base-Backbone interact. energy: -1.214
local terms energy: -570.829363
where:
bonds (distance) C4'-P energy: -117.987
bonds (distance) P-C4' energy: -109.588
flat angles C4'-P-C4' energy: -108.080
flat angles P-C4'-P energy: -86.036
tors. eta vs tors. theta energy: -149.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1652.084132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.084132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.084132 (E_RNA)
where:
Base-Base interactions energy: -1114.237
where: short stacking energy: -488.351
Base-Backbone interact. energy: 0.056
local terms energy: -537.903255
where:
bonds (distance) C4'-P energy: -97.081
bonds (distance) P-C4' energy: -94.419
flat angles C4'-P-C4' energy: -129.973
flat angles P-C4'-P energy: -74.604
tors. eta vs tors. theta energy: -141.827
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: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1409.368037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.368037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.368037 (E_RNA)
where:
Base-Base interactions energy: -937.797
where: short stacking energy: -408.841
Base-Backbone interact. energy: -0.769
local terms energy: -470.801077
where:
bonds (distance) C4'-P energy: -92.326
bonds (distance) P-C4' energy: -95.545
flat angles C4'-P-C4' energy: -115.835
flat angles P-C4'-P energy: -72.575
tors. eta vs tors. theta energy: -94.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1068.174402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.174402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.174402 (E_RNA)
where:
Base-Base interactions energy: -670.673
where: short stacking energy: -299.961
Base-Backbone interact. energy: 8.583
local terms energy: -406.084120
where:
bonds (distance) C4'-P energy: -115.121
bonds (distance) P-C4' energy: -93.533
flat angles C4'-P-C4' energy: -90.448
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -48.394
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -669.379636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.379636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.379636 (E_RNA)
where:
Base-Base interactions energy: -326.965
where: short stacking energy: -236.815
Base-Backbone interact. energy: 2.209
local terms energy: -344.624293
where:
bonds (distance) C4'-P energy: -93.889
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -82.039
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -541.156512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.156512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.156512 (E_RNA)
where:
Base-Base interactions energy: -208.438
where: short stacking energy: -155.395
Base-Backbone interact. energy: -3.421
local terms energy: -329.297142
where:
bonds (distance) C4'-P energy: -103.128
bonds (distance) P-C4' energy: -98.420
flat angles C4'-P-C4' energy: -95.144
flat angles P-C4'-P energy: -53.950
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: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2153.100533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.100533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.100533 (E_RNA)
where:
Base-Base interactions energy: -1506.389
where: short stacking energy: -595.963
Base-Backbone interact. energy: -2.503
local terms energy: -644.209166
where:
bonds (distance) C4'-P energy: -113.044
bonds (distance) P-C4' energy: -121.558
flat angles C4'-P-C4' energy: -139.945
flat angles P-C4'-P energy: -97.316
tors. eta vs tors. theta energy: -172.346
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2120.311948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.311948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.311948 (E_RNA)
where:
Base-Base interactions energy: -1443.211
where: short stacking energy: -584.645
Base-Backbone interact. energy: -4.608
local terms energy: -672.492644
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -111.345
flat angles C4'-P-C4' energy: -143.315
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -202.169
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2006.557396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.557396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.557396 (E_RNA)
where:
Base-Base interactions energy: -1391.550
where: short stacking energy: -582.818
Base-Backbone interact. energy: -2.030
local terms energy: -612.977350
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -128.477
flat angles P-C4'-P energy: -79.758
tors. eta vs tors. theta energy: -182.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1846.265187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.265187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.265187 (E_RNA)
where:
Base-Base interactions energy: -1257.812
where: short stacking energy: -522.628
Base-Backbone interact. energy: -0.341
local terms energy: -588.111862
where:
bonds (distance) C4'-P energy: -111.625
bonds (distance) P-C4' energy: -112.901
flat angles C4'-P-C4' energy: -121.583
flat angles P-C4'-P energy: -80.585
tors. eta vs tors. theta energy: -161.419
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: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1806.425086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.425086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.425086 (E_RNA)
where:
Base-Base interactions energy: -1249.563
where: short stacking energy: -522.870
Base-Backbone interact. energy: -2.653
local terms energy: -554.209788
where:
bonds (distance) C4'-P energy: -95.456
bonds (distance) P-C4' energy: -108.163
flat angles C4'-P-C4' energy: -119.390
flat angles P-C4'-P energy: -81.599
tors. eta vs tors. theta energy: -149.603
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: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1613.045575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.045575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.045575 (E_RNA)
where:
Base-Base interactions energy: -1080.483
where: short stacking energy: -458.705
Base-Backbone interact. energy: 2.355
local terms energy: -534.917331
where:
bonds (distance) C4'-P energy: -112.925
bonds (distance) P-C4' energy: -115.322
flat angles C4'-P-C4' energy: -101.301
flat angles P-C4'-P energy: -71.608
tors. eta vs tors. theta energy: -133.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1350.940355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.940355 (E_RNA)
where:
Base-Base interactions energy: -869.763
where: short stacking energy: -357.890
Base-Backbone interact. energy: -1.429
local terms energy: -479.748874
where:
bonds (distance) C4'-P energy: -112.476
bonds (distance) P-C4' energy: -112.349
flat angles C4'-P-C4' energy: -112.492
flat angles P-C4'-P energy: -66.721
tors. eta vs tors. theta energy: -75.711
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1138.694685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.694685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.694685 (E_RNA)
where:
Base-Base interactions energy: -730.837
where: short stacking energy: -316.747
Base-Backbone interact. energy: -0.867
local terms energy: -406.991327
where:
bonds (distance) C4'-P energy: -79.409
bonds (distance) P-C4' energy: -112.201
flat angles C4'-P-C4' energy: -95.185
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -49.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -644.267397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.267397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.267397 (E_RNA)
where:
Base-Base interactions energy: -285.810
where: short stacking energy: -166.608
Base-Backbone interact. energy: 0.061
local terms energy: -358.518811
where:
bonds (distance) C4'-P energy: -98.308
bonds (distance) P-C4' energy: -104.021
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -479.233456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.233456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.233456 (E_RNA)
where:
Base-Base interactions energy: -171.873
where: short stacking energy: -119.117
Base-Backbone interact. energy: 4.615
local terms energy: -311.976056
where:
bonds (distance) C4'-P energy: -103.018
bonds (distance) P-C4' energy: -107.184
flat angles C4'-P-C4' energy: -73.520
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: 31.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2163.741862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.741862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.741862 (E_RNA)
where:
Base-Base interactions energy: -1509.913
where: short stacking energy: -604.496
Base-Backbone interact. energy: -1.978
local terms energy: -651.851307
where:
bonds (distance) C4'-P energy: -125.352
bonds (distance) P-C4' energy: -122.016
flat angles C4'-P-C4' energy: -140.965
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -178.921
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: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2063.626480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.626480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.626480 (E_RNA)
where:
Base-Base interactions energy: -1401.702
where: short stacking energy: -587.086
Base-Backbone interact. energy: -4.442
local terms energy: -657.482159
where:
bonds (distance) C4'-P energy: -123.060
bonds (distance) P-C4' energy: -112.415
flat angles C4'-P-C4' energy: -141.923
flat angles P-C4'-P energy: -94.710
tors. eta vs tors. theta energy: -185.374
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2005.513962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.513962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.513962 (E_RNA)
where:
Base-Base interactions energy: -1386.635
where: short stacking energy: -583.154
Base-Backbone interact. energy: -2.457
local terms energy: -616.421557
where:
bonds (distance) C4'-P energy: -112.356
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -137.209
flat angles P-C4'-P energy: -80.460
tors. eta vs tors. theta energy: -190.068
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1839.737711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.737711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.737711 (E_RNA)
where:
Base-Base interactions energy: -1256.037
where: short stacking energy: -547.016
Base-Backbone interact. energy: -2.165
local terms energy: -581.535149
where:
bonds (distance) C4'-P energy: -107.086
bonds (distance) P-C4' energy: -112.056
flat angles C4'-P-C4' energy: -126.692
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: -162.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1799.410113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.410113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.410113 (E_RNA)
where:
Base-Base interactions energy: -1195.742
where: short stacking energy: -479.776
Base-Backbone interact. energy: -0.188
local terms energy: -603.480585
where:
bonds (distance) C4'-P energy: -104.350
bonds (distance) P-C4' energy: -126.522
flat angles C4'-P-C4' energy: -124.049
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -157.948
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1581.462991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.462991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.462991 (E_RNA)
where:
Base-Base interactions energy: -1050.803
where: short stacking energy: -425.998
Base-Backbone interact. energy: -2.245
local terms energy: -528.414785
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -100.716
flat angles C4'-P-C4' energy: -123.363
flat angles P-C4'-P energy: -84.071
tors. eta vs tors. theta energy: -129.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1407.276690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.276690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.276690 (E_RNA)
where:
Base-Base interactions energy: -931.766
where: short stacking energy: -381.545
Base-Backbone interact. energy: -1.827
local terms energy: -473.684063
where:
bonds (distance) C4'-P energy: -98.309
bonds (distance) P-C4' energy: -107.686
flat angles C4'-P-C4' energy: -97.476
flat angles P-C4'-P energy: -69.353
tors. eta vs tors. theta energy: -100.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1168.521719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.521719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.521719 (E_RNA)
where:
Base-Base interactions energy: -745.142
where: short stacking energy: -337.734
Base-Backbone interact. energy: -1.589
local terms energy: -421.791333
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -108.835
flat angles C4'-P-C4' energy: -106.633
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -62.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -708.375106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.375106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.375106 (E_RNA)
where:
Base-Base interactions energy: -369.538
where: short stacking energy: -209.782
Base-Backbone interact. energy: -1.405
local terms energy: -337.431456
where:
bonds (distance) C4'-P energy: -93.958
bonds (distance) P-C4' energy: -101.573
flat angles C4'-P-C4' energy: -97.011
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -1.683
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: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -463.663295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.663295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.663295 (E_RNA)
where:
Base-Base interactions energy: -183.726
where: short stacking energy: -107.476
Base-Backbone interact. energy: 3.585
local terms energy: -283.522962
where:
bonds (distance) C4'-P energy: -82.952
bonds (distance) P-C4' energy: -92.622
flat angles C4'-P-C4' energy: -100.578
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: 41.051
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: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2138.389904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.389904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.389904 (E_RNA)
where:
Base-Base interactions energy: -1497.439
where: short stacking energy: -602.933
Base-Backbone interact. energy: -0.856
local terms energy: -640.094888
where:
bonds (distance) C4'-P energy: -120.091
bonds (distance) P-C4' energy: -123.852
flat angles C4'-P-C4' energy: -135.760
flat angles P-C4'-P energy: -82.695
tors. eta vs tors. theta energy: -177.697
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: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2099.253987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.253987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.253987 (E_RNA)
where:
Base-Base interactions energy: -1456.362
where: short stacking energy: -611.104
Base-Backbone interact. energy: -1.759
local terms energy: -641.132991
where:
bonds (distance) C4'-P energy: -106.767
bonds (distance) P-C4' energy: -112.974
flat angles C4'-P-C4' energy: -134.755
flat angles P-C4'-P energy: -90.999
tors. eta vs tors. theta energy: -195.639
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: 458
Temperature: 1.000000
Total energy: -2006.717589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.717589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.717589 (E_RNA)
where:
Base-Base interactions energy: -1381.138
where: short stacking energy: -546.087
Base-Backbone interact. energy: -3.622
local terms energy: -621.956924
where:
bonds (distance) C4'-P energy: -110.148
bonds (distance) P-C4' energy: -111.154
flat angles C4'-P-C4' energy: -134.733
flat angles P-C4'-P energy: -83.575
tors. eta vs tors. theta energy: -182.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1863.668150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.668150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.668150 (E_RNA)
where:
Base-Base interactions energy: -1252.831
where: short stacking energy: -527.897
Base-Backbone interact. energy: -2.014
local terms energy: -608.823119
where:
bonds (distance) C4'-P energy: -123.851
bonds (distance) P-C4' energy: -111.036
flat angles C4'-P-C4' energy: -131.251
flat angles P-C4'-P energy: -83.590
tors. eta vs tors. theta energy: -159.095
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1885.249153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.249153 (E_RNA)
where:
Base-Base interactions energy: -1271.227
where: short stacking energy: -541.969
Base-Backbone interact. energy: 1.501
local terms energy: -615.522916
where:
bonds (distance) C4'-P energy: -108.782
bonds (distance) P-C4' energy: -124.557
flat angles C4'-P-C4' energy: -123.317
flat angles P-C4'-P energy: -84.865
tors. eta vs tors. theta energy: -174.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1598.493733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.493733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.493733 (E_RNA)
where:
Base-Base interactions energy: -1093.416
where: short stacking energy: -466.416
Base-Backbone interact. energy: -1.145
local terms energy: -503.932754
where:
bonds (distance) C4'-P energy: -92.046
bonds (distance) P-C4' energy: -92.250
flat angles C4'-P-C4' energy: -119.709
flat angles P-C4'-P energy: -74.149
tors. eta vs tors. theta energy: -125.779
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: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1337.920989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.920989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.920989 (E_RNA)
where:
Base-Base interactions energy: -854.086
where: short stacking energy: -376.615
Base-Backbone interact. energy: -0.931
local terms energy: -482.904311
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -106.214
flat angles C4'-P-C4' energy: -108.850
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: -102.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1081.797312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.797312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.797312 (E_RNA)
where:
Base-Base interactions energy: -648.507
where: short stacking energy: -301.943
Base-Backbone interact. energy: 1.743
local terms energy: -435.033496
where:
bonds (distance) C4'-P energy: -103.573
bonds (distance) P-C4' energy: -99.143
flat angles C4'-P-C4' energy: -103.705
flat angles P-C4'-P energy: -73.313
tors. eta vs tors. theta energy: -55.299
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: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -670.075442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.075442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.075442 (E_RNA)
where:
Base-Base interactions energy: -361.628
where: short stacking energy: -191.875
Base-Backbone interact. energy: 4.045
local terms energy: -312.492750
where:
bonds (distance) C4'-P energy: -81.355
bonds (distance) P-C4' energy: -85.363
flat angles C4'-P-C4' energy: -95.156
flat angles P-C4'-P energy: -49.344
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -450.498929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.498929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.498929 (E_RNA)
where:
Base-Base interactions energy: -153.798
where: short stacking energy: -118.362
Base-Backbone interact. energy: 2.149
local terms energy: -298.850625
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -103.633
flat angles C4'-P-C4' energy: -66.062
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: 14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2129.964459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.964459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.964459 (E_RNA)
where:
Base-Base interactions energy: -1475.605
where: short stacking energy: -596.201
Base-Backbone interact. energy: -2.628
local terms energy: -651.731551
where:
bonds (distance) C4'-P energy: -124.744
bonds (distance) P-C4' energy: -106.892
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -99.273
tors. eta vs tors. theta energy: -173.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2098.575259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.575259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.575259 (E_RNA)
where:
Base-Base interactions energy: -1441.382
where: short stacking energy: -608.914
Base-Backbone interact. energy: -2.309
local terms energy: -654.884549
where:
bonds (distance) C4'-P energy: -119.082
bonds (distance) P-C4' energy: -110.782
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -89.732
tors. eta vs tors. theta energy: -192.545
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: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2010.128956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.128956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.128956 (E_RNA)
where:
Base-Base interactions energy: -1370.616
where: short stacking energy: -555.014
Base-Backbone interact. energy: -2.357
local terms energy: -637.156395
where:
bonds (distance) C4'-P energy: -119.620
bonds (distance) P-C4' energy: -111.920
flat angles C4'-P-C4' energy: -130.865
flat angles P-C4'-P energy: -97.741
tors. eta vs tors. theta energy: -177.010
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1856.362112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.362112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.362112 (E_RNA)
where:
Base-Base interactions energy: -1260.676
where: short stacking energy: -537.944
Base-Backbone interact. energy: -1.429
local terms energy: -594.256947
where:
bonds (distance) C4'-P energy: -100.490
bonds (distance) P-C4' energy: -123.132
flat angles C4'-P-C4' energy: -113.260
flat angles P-C4'-P energy: -92.865
tors. eta vs tors. theta energy: -164.510
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: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1816.249600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.249600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.249600 (E_RNA)
where:
Base-Base interactions energy: -1232.876
where: short stacking energy: -532.094
Base-Backbone interact. energy: 3.735
local terms energy: -587.108420
where:
bonds (distance) C4'-P energy: -111.755
bonds (distance) P-C4' energy: -108.710
flat angles C4'-P-C4' energy: -117.945
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -161.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1594.058548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.058548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.058548 (E_RNA)
where:
Base-Base interactions energy: -1044.883
where: short stacking energy: -432.359
Base-Backbone interact. energy: -0.960
local terms energy: -548.214857
where:
bonds (distance) C4'-P energy: -110.051
bonds (distance) P-C4' energy: -108.132
flat angles C4'-P-C4' energy: -111.319
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -135.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1375.412739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.412739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.412739 (E_RNA)
where:
Base-Base interactions energy: -865.675
where: short stacking energy: -347.291
Base-Backbone interact. energy: 0.018
local terms energy: -509.755246
where:
bonds (distance) C4'-P energy: -116.937
bonds (distance) P-C4' energy: -112.014
flat angles C4'-P-C4' energy: -118.513
flat angles P-C4'-P energy: -76.006
tors. eta vs tors. theta energy: -86.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1047.441229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.441229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.441229 (E_RNA)
where:
Base-Base interactions energy: -642.971
where: short stacking energy: -290.899
Base-Backbone interact. energy: 0.627
local terms energy: -405.097357
where:
bonds (distance) C4'-P energy: -104.554
bonds (distance) P-C4' energy: -124.637
flat angles C4'-P-C4' energy: -94.598
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -32.710
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: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -607.395539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.395539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.395539 (E_RNA)
where:
Base-Base interactions energy: -283.823
where: short stacking energy: -179.485
Base-Backbone interact. energy: -1.089
local terms energy: -322.483031
where:
bonds (distance) C4'-P energy: -105.226
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -81.239
flat angles P-C4'-P energy: -47.748
tors. eta vs tors. theta energy: 14.416
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: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -484.783133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.783133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.783133 (E_RNA)
where:
Base-Base interactions energy: -159.828
where: short stacking energy: -139.199
Base-Backbone interact. energy: 3.410
local terms energy: -328.365352
where:
bonds (distance) C4'-P energy: -106.420
bonds (distance) P-C4' energy: -106.978
flat angles C4'-P-C4' energy: -89.284
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: 7.679
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: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2123.451983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.451983 (E_RNA)
where:
Base-Base interactions energy: -1493.788
where: short stacking energy: -585.986
Base-Backbone interact. energy: -6.636
local terms energy: -623.028063
where:
bonds (distance) C4'-P energy: -121.664
bonds (distance) P-C4' energy: -116.874
flat angles C4'-P-C4' energy: -137.921
flat angles P-C4'-P energy: -87.871
tors. eta vs tors. theta energy: -158.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2118.348036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.348036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.348036 (E_RNA)
where:
Base-Base interactions energy: -1466.175
where: short stacking energy: -620.799
Base-Backbone interact. energy: 0.127
local terms energy: -652.299528
where:
bonds (distance) C4'-P energy: -109.301
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -143.873
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -190.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2014.636737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.636737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.636737 (E_RNA)
where:
Base-Base interactions energy: -1357.248
where: short stacking energy: -585.714
Base-Backbone interact. energy: -3.513
local terms energy: -653.875488
where:
bonds (distance) C4'-P energy: -119.131
bonds (distance) P-C4' energy: -124.622
flat angles C4'-P-C4' energy: -142.088
flat angles P-C4'-P energy: -83.628
tors. eta vs tors. theta energy: -184.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1819.641091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.641091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.641091 (E_RNA)
where:
Base-Base interactions energy: -1215.954
where: short stacking energy: -511.501
Base-Backbone interact. energy: -1.155
local terms energy: -602.532093
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -128.514
flat angles P-C4'-P energy: -78.700
tors. eta vs tors. theta energy: -164.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1738.727637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.727637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.727637 (E_RNA)
where:
Base-Base interactions energy: -1182.307
where: short stacking energy: -498.167
Base-Backbone interact. energy: -1.643
local terms energy: -554.777639
where:
bonds (distance) C4'-P energy: -112.770
bonds (distance) P-C4' energy: -101.301
flat angles C4'-P-C4' energy: -118.289
flat angles P-C4'-P energy: -80.780
tors. eta vs tors. theta energy: -141.638
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: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1719.560320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.560320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.560320 (E_RNA)
where:
Base-Base interactions energy: -1164.830
where: short stacking energy: -484.608
Base-Backbone interact. energy: -0.146
local terms energy: -554.584569
where:
bonds (distance) C4'-P energy: -98.314
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -120.371
flat angles P-C4'-P energy: -89.964
tors. eta vs tors. theta energy: -142.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1388.907475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.907475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.907475 (E_RNA)
where:
Base-Base interactions energy: -895.764
where: short stacking energy: -386.615
Base-Backbone interact. energy: 1.110
local terms energy: -494.253378
where:
bonds (distance) C4'-P energy: -99.855
bonds (distance) P-C4' energy: -103.432
flat angles C4'-P-C4' energy: -115.722
flat angles P-C4'-P energy: -80.030
tors. eta vs tors. theta energy: -95.214
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1099.898023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.898023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.898023 (E_RNA)
where:
Base-Base interactions energy: -686.220
where: short stacking energy: -283.338
Base-Backbone interact. energy: -1.424
local terms energy: -412.253251
where:
bonds (distance) C4'-P energy: -100.602
bonds (distance) P-C4' energy: -104.749
flat angles C4'-P-C4' energy: -103.271
flat angles P-C4'-P energy: -68.904
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -631.172675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.172675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.172675 (E_RNA)
where:
Base-Base interactions energy: -280.387
where: short stacking energy: -181.079
Base-Backbone interact. energy: -4.749
local terms energy: -346.036612
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -93.807
flat angles C4'-P-C4' energy: -88.639
flat angles P-C4'-P energy: -65.395
tors. eta vs tors. theta energy: 2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -480.012896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.012896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.012896 (E_RNA)
where:
Base-Base interactions energy: -168.560
where: short stacking energy: -136.351
Base-Backbone interact. energy: 0.356
local terms energy: -311.809016
where:
bonds (distance) C4'-P energy: -110.472
bonds (distance) P-C4' energy: -106.530
flat angles C4'-P-C4' energy: -66.547
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: 16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2132.982539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.982539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.982539 (E_RNA)
where:
Base-Base interactions energy: -1470.522
where: short stacking energy: -604.358
Base-Backbone interact. energy: -1.292
local terms energy: -661.168784
where:
bonds (distance) C4'-P energy: -119.117
bonds (distance) P-C4' energy: -125.055
flat angles C4'-P-C4' energy: -132.022
flat angles P-C4'-P energy: -97.629
tors. eta vs tors. theta energy: -187.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2098.487866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.487866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.487866 (E_RNA)
where:
Base-Base interactions energy: -1429.060
where: short stacking energy: -608.409
Base-Backbone interact. energy: -2.832
local terms energy: -666.596618
where:
bonds (distance) C4'-P energy: -120.059
bonds (distance) P-C4' energy: -130.277
flat angles C4'-P-C4' energy: -133.958
flat angles P-C4'-P energy: -88.487
tors. eta vs tors. theta energy: -193.816
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: 461
Temperature: 1.000000
Total energy: -2005.553289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.553289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.553289 (E_RNA)
where:
Base-Base interactions energy: -1396.334
where: short stacking energy: -566.945
Base-Backbone interact. energy: 0.232
local terms energy: -609.451773
where:
bonds (distance) C4'-P energy: -117.824
bonds (distance) P-C4' energy: -98.683
flat angles C4'-P-C4' energy: -116.992
flat angles P-C4'-P energy: -90.007
tors. eta vs tors. theta energy: -185.947
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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1859.156844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.156844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.156844 (E_RNA)
where:
Base-Base interactions energy: -1277.005
where: short stacking energy: -530.707
Base-Backbone interact. energy: -2.645
local terms energy: -579.507474
where:
bonds (distance) C4'-P energy: -120.126
bonds (distance) P-C4' energy: -107.442
flat angles C4'-P-C4' energy: -110.692
flat angles P-C4'-P energy: -79.815
tors. eta vs tors. theta energy: -161.433
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: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1782.007772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.007772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.007772 (E_RNA)
where:
Base-Base interactions energy: -1207.913
where: short stacking energy: -508.939
Base-Backbone interact. energy: -1.622
local terms energy: -572.473084
where:
bonds (distance) C4'-P energy: -105.314
bonds (distance) P-C4' energy: -115.933
flat angles C4'-P-C4' energy: -118.739
flat angles P-C4'-P energy: -78.094
tors. eta vs tors. theta energy: -154.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1657.096881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.096881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.096881 (E_RNA)
where:
Base-Base interactions energy: -1110.776
where: short stacking energy: -490.368
Base-Backbone interact. energy: 0.861
local terms energy: -547.181930
where:
bonds (distance) C4'-P energy: -108.177
bonds (distance) P-C4' energy: -104.624
flat angles C4'-P-C4' energy: -117.055
flat angles P-C4'-P energy: -75.990
tors. eta vs tors. theta energy: -141.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1431.436695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.436695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.436695 (E_RNA)
where:
Base-Base interactions energy: -946.148
where: short stacking energy: -399.181
Base-Backbone interact. energy: 5.846
local terms energy: -491.134883
where:
bonds (distance) C4'-P energy: -91.484
bonds (distance) P-C4' energy: -115.583
flat angles C4'-P-C4' energy: -118.905
flat angles P-C4'-P energy: -66.079
tors. eta vs tors. theta energy: -99.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1112.964555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.964555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.964555 (E_RNA)
where:
Base-Base interactions energy: -712.645
where: short stacking energy: -327.661
Base-Backbone interact. energy: -2.962
local terms energy: -397.356995
where:
bonds (distance) C4'-P energy: -86.332
bonds (distance) P-C4' energy: -110.394
flat angles C4'-P-C4' energy: -79.120
flat angles P-C4'-P energy: -66.624
tors. eta vs tors. theta energy: -54.888
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: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -639.180910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.180910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.180910 (E_RNA)
where:
Base-Base interactions energy: -300.289
where: short stacking energy: -189.789
Base-Backbone interact. energy: 1.617
local terms energy: -340.508523
where:
bonds (distance) C4'-P energy: -89.328
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -78.470
flat angles P-C4'-P energy: -66.396
tors. eta vs tors. theta energy: 3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -460.515312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.515312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.515312 (E_RNA)
where:
Base-Base interactions energy: -162.948
where: short stacking energy: -132.915
Base-Backbone interact. energy: -2.140
local terms energy: -295.427222
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -102.361
flat angles C4'-P-C4' energy: -60.745
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: 20.703
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: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2135.934789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.934789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.934789 (E_RNA)
where:
Base-Base interactions energy: -1495.564
where: short stacking energy: -624.093
Base-Backbone interact. energy: 1.304
local terms energy: -641.674649
where:
bonds (distance) C4'-P energy: -113.894
bonds (distance) P-C4' energy: -127.187
flat angles C4'-P-C4' energy: -130.676
flat angles P-C4'-P energy: -88.329
tors. eta vs tors. theta energy: -181.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2113.121614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.121614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.121614 (E_RNA)
where:
Base-Base interactions energy: -1445.791
where: short stacking energy: -605.614
Base-Backbone interact. energy: -0.393
local terms energy: -666.938119
where:
bonds (distance) C4'-P energy: -114.384
bonds (distance) P-C4' energy: -125.824
flat angles C4'-P-C4' energy: -137.441
flat angles P-C4'-P energy: -89.553
tors. eta vs tors. theta energy: -199.737
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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1999.239541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.239541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.239541 (E_RNA)
where:
Base-Base interactions energy: -1360.181
where: short stacking energy: -567.091
Base-Backbone interact. energy: 0.200
local terms energy: -639.258387
where:
bonds (distance) C4'-P energy: -108.286
bonds (distance) P-C4' energy: -120.574
flat angles C4'-P-C4' energy: -146.895
flat angles P-C4'-P energy: -82.870
tors. eta vs tors. theta energy: -180.634
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: 462
Temperature: 1.050000
Total energy: -1859.744799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.744799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.744799 (E_RNA)
where:
Base-Base interactions energy: -1272.689
where: short stacking energy: -510.082
Base-Backbone interact. energy: 2.650
local terms energy: -589.705664
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -126.085
flat angles C4'-P-C4' energy: -114.338
flat angles P-C4'-P energy: -74.698
tors. eta vs tors. theta energy: -160.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1736.418264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.418264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.418264 (E_RNA)
where:
Base-Base interactions energy: -1147.979
where: short stacking energy: -491.211
Base-Backbone interact. energy: 1.086
local terms energy: -589.525637
where:
bonds (distance) C4'-P energy: -108.590
bonds (distance) P-C4' energy: -110.163
flat angles C4'-P-C4' energy: -139.375
flat angles P-C4'-P energy: -89.310
tors. eta vs tors. theta energy: -142.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1615.712133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.712133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.712133 (E_RNA)
where:
Base-Base interactions energy: -1100.553
where: short stacking energy: -476.908
Base-Backbone interact. energy: -1.438
local terms energy: -513.720914
where:
bonds (distance) C4'-P energy: -102.309
bonds (distance) P-C4' energy: -106.980
flat angles C4'-P-C4' energy: -114.239
flat angles P-C4'-P energy: -63.073
tors. eta vs tors. theta energy: -127.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1460.606793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.606793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.606793 (E_RNA)
where:
Base-Base interactions energy: -964.908
where: short stacking energy: -429.724
Base-Backbone interact. energy: 0.796
local terms energy: -496.495376
where:
bonds (distance) C4'-P energy: -90.315
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -113.418
flat angles P-C4'-P energy: -72.940
tors. eta vs tors. theta energy: -105.644
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1029.826409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.826409 (E_RNA)
where:
Base-Base interactions energy: -642.717
where: short stacking energy: -278.765
Base-Backbone interact. energy: -0.002
local terms energy: -387.108171
where:
bonds (distance) C4'-P energy: -102.114
bonds (distance) P-C4' energy: -102.944
flat angles C4'-P-C4' energy: -105.872
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -609.574379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.574379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.574379 (E_RNA)
where:
Base-Base interactions energy: -279.721
where: short stacking energy: -185.894
Base-Backbone interact. energy: -1.693
local terms energy: -328.160247
where:
bonds (distance) C4'-P energy: -79.106
bonds (distance) P-C4' energy: -97.237
flat angles C4'-P-C4' energy: -99.591
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -526.980380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.980380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.980380 (E_RNA)
where:
Base-Base interactions energy: -206.683
where: short stacking energy: -161.930
Base-Backbone interact. energy: 1.930
local terms energy: -322.227477
where:
bonds (distance) C4'-P energy: -94.423
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -97.071
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: 11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2126.685712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.685712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.685712 (E_RNA)
where:
Base-Base interactions energy: -1475.771
where: short stacking energy: -598.708
Base-Backbone interact. energy: -1.195
local terms energy: -649.719280
where:
bonds (distance) C4'-P energy: -112.320
bonds (distance) P-C4' energy: -138.307
flat angles C4'-P-C4' energy: -129.293
flat angles P-C4'-P energy: -98.870
tors. eta vs tors. theta energy: -170.930
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: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2106.551912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.551912 (E_RNA)
where:
Base-Base interactions energy: -1451.584
where: short stacking energy: -592.693
Base-Backbone interact. energy: -7.392
local terms energy: -647.575941
where:
bonds (distance) C4'-P energy: -119.000
bonds (distance) P-C4' energy: -115.572
flat angles C4'-P-C4' energy: -136.330
flat angles P-C4'-P energy: -83.603
tors. eta vs tors. theta energy: -193.071
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1993.267503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.267503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.267503 (E_RNA)
where:
Base-Base interactions energy: -1356.504
where: short stacking energy: -579.994
Base-Backbone interact. energy: -2.774
local terms energy: -633.989598
where:
bonds (distance) C4'-P energy: -110.866
bonds (distance) P-C4' energy: -115.328
flat angles C4'-P-C4' energy: -142.975
flat angles P-C4'-P energy: -88.797
tors. eta vs tors. theta energy: -176.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1880.193144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.193144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.193144 (E_RNA)
where:
Base-Base interactions energy: -1266.444
where: short stacking energy: -519.863
Base-Backbone interact. energy: -2.575
local terms energy: -611.173994
where:
bonds (distance) C4'-P energy: -115.595
bonds (distance) P-C4' energy: -117.204
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -100.113
tors. eta vs tors. theta energy: -152.435
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: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1752.452504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.452504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.452504 (E_RNA)
where:
Base-Base interactions energy: -1162.232
where: short stacking energy: -492.633
Base-Backbone interact. energy: -2.152
local terms energy: -588.068791
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -119.538
flat angles C4'-P-C4' energy: -129.411
flat angles P-C4'-P energy: -77.728
tors. eta vs tors. theta energy: -152.776
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: 2
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1654.962156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.962156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.962156 (E_RNA)
where:
Base-Base interactions energy: -1095.445
where: short stacking energy: -455.797
Base-Backbone interact. energy: -3.593
local terms energy: -555.924206
where:
bonds (distance) C4'-P energy: -119.754
bonds (distance) P-C4' energy: -107.362
flat angles C4'-P-C4' energy: -128.620
flat angles P-C4'-P energy: -75.820
tors. eta vs tors. theta energy: -124.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1435.335690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.335690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.335690 (E_RNA)
where:
Base-Base interactions energy: -915.859
where: short stacking energy: -405.526
Base-Backbone interact. energy: -2.230
local terms energy: -517.246973
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -104.775
flat angles P-C4'-P energy: -70.142
tors. eta vs tors. theta energy: -109.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1054.635131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.635131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.635131 (E_RNA)
where:
Base-Base interactions energy: -637.353
where: short stacking energy: -273.281
Base-Backbone interact. energy: -3.666
local terms energy: -413.615423
where:
bonds (distance) C4'-P energy: -97.525
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -105.826
flat angles P-C4'-P energy: -68.190
tors. eta vs tors. theta energy: -44.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -620.115176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.115176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.115176 (E_RNA)
where:
Base-Base interactions energy: -298.458
where: short stacking energy: -166.106
Base-Backbone interact. energy: 4.255
local terms energy: -325.912430
where:
bonds (distance) C4'-P energy: -102.328
bonds (distance) P-C4' energy: -100.658
flat angles C4'-P-C4' energy: -87.167
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: 4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -485.134576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.134576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.134576 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -132.866
Base-Backbone interact. energy: -0.411
local terms energy: -313.822238
where:
bonds (distance) C4'-P energy: -90.500
bonds (distance) P-C4' energy: -95.778
flat angles C4'-P-C4' energy: -77.421
flat angles P-C4'-P energy: -62.382
tors. eta vs tors. theta energy: 12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2135.368761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.368761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.368761 (E_RNA)
where:
Base-Base interactions energy: -1482.001
where: short stacking energy: -641.779
Base-Backbone interact. energy: 4.735
local terms energy: -658.102697
where:
bonds (distance) C4'-P energy: -117.520
bonds (distance) P-C4' energy: -127.685
flat angles C4'-P-C4' energy: -130.978
flat angles P-C4'-P energy: -92.668
tors. eta vs tors. theta energy: -189.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2118.779973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.779973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.779973 (E_RNA)
where:
Base-Base interactions energy: -1460.618
where: short stacking energy: -602.860
Base-Backbone interact. energy: -2.988
local terms energy: -655.174648
where:
bonds (distance) C4'-P energy: -119.109
bonds (distance) P-C4' energy: -130.566
flat angles C4'-P-C4' energy: -134.048
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -186.384
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: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1955.954669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.954669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.954669 (E_RNA)
where:
Base-Base interactions energy: -1336.221
where: short stacking energy: -555.748
Base-Backbone interact. energy: -3.017
local terms energy: -616.716779
where:
bonds (distance) C4'-P energy: -102.351
bonds (distance) P-C4' energy: -121.626
flat angles C4'-P-C4' energy: -134.890
flat angles P-C4'-P energy: -87.703
tors. eta vs tors. theta energy: -170.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1853.338019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.338019 (E_RNA)
where:
Base-Base interactions energy: -1271.750
where: short stacking energy: -519.481
Base-Backbone interact. energy: -2.266
local terms energy: -579.321750
where:
bonds (distance) C4'-P energy: -94.625
bonds (distance) P-C4' energy: -117.051
flat angles C4'-P-C4' energy: -120.599
flat angles P-C4'-P energy: -93.208
tors. eta vs tors. theta energy: -153.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1719.000115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.000115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.000115 (E_RNA)
where:
Base-Base interactions energy: -1147.865
where: short stacking energy: -487.631
Base-Backbone interact. energy: 0.687
local terms energy: -571.822766
where:
bonds (distance) C4'-P energy: -115.883
bonds (distance) P-C4' energy: -105.800
flat angles C4'-P-C4' energy: -116.122
flat angles P-C4'-P energy: -80.933
tors. eta vs tors. theta energy: -153.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1611.491264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.491264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.491264 (E_RNA)
where:
Base-Base interactions energy: -1041.128
where: short stacking energy: -457.227
Base-Backbone interact. energy: -3.068
local terms energy: -567.295048
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -126.623
flat angles C4'-P-C4' energy: -127.078
flat angles P-C4'-P energy: -66.596
tors. eta vs tors. theta energy: -132.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1398.672139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.672139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.672139 (E_RNA)
where:
Base-Base interactions energy: -935.874
where: short stacking energy: -380.882
Base-Backbone interact. energy: -3.669
local terms energy: -459.129460
where:
bonds (distance) C4'-P energy: -104.966
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -95.832
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -98.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1029.409206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.409206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.409206 (E_RNA)
where:
Base-Base interactions energy: -622.225
where: short stacking energy: -301.540
Base-Backbone interact. energy: -4.028
local terms energy: -403.156560
where:
bonds (distance) C4'-P energy: -110.089
bonds (distance) P-C4' energy: -111.637
flat angles C4'-P-C4' energy: -90.424
flat angles P-C4'-P energy: -59.865
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -691.340736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.340736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.340736 (E_RNA)
where:
Base-Base interactions energy: -321.690
where: short stacking energy: -202.491
Base-Backbone interact. energy: 6.588
local terms energy: -376.239110
where:
bonds (distance) C4'-P energy: -96.335
bonds (distance) P-C4' energy: -120.026
flat angles C4'-P-C4' energy: -100.190
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -449.808890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.808890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.808890 (E_RNA)
where:
Base-Base interactions energy: -161.279
where: short stacking energy: -111.029
Base-Backbone interact. energy: 1.642
local terms energy: -290.171281
where:
bonds (distance) C4'-P energy: -85.419
bonds (distance) P-C4' energy: -101.974
flat angles C4'-P-C4' energy: -74.435
flat angles P-C4'-P energy: -42.323
tors. eta vs tors. theta energy: 13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2167.145604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.145604 (E_RNA)
where:
Base-Base interactions energy: -1501.944
where: short stacking energy: -630.409
Base-Backbone interact. energy: -5.072
local terms energy: -660.128830
where:
bonds (distance) C4'-P energy: -119.147
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -139.487
flat angles P-C4'-P energy: -97.307
tors. eta vs tors. theta energy: -186.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2104.435804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.435804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.435804 (E_RNA)
where:
Base-Base interactions energy: -1446.638
where: short stacking energy: -580.348
Base-Backbone interact. energy: -0.850
local terms energy: -656.947653
where:
bonds (distance) C4'-P energy: -126.943
bonds (distance) P-C4' energy: -119.307
flat angles C4'-P-C4' energy: -140.913
flat angles P-C4'-P energy: -92.152
tors. eta vs tors. theta energy: -177.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1980.043405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.043405 (E_RNA)
where:
Base-Base interactions energy: -1371.918
where: short stacking energy: -557.141
Base-Backbone interact. energy: -1.287
local terms energy: -606.838330
where:
bonds (distance) C4'-P energy: -102.042
bonds (distance) P-C4' energy: -117.340
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -94.273
tors. eta vs tors. theta energy: -171.271
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1855.859749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.859749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.859749 (E_RNA)
where:
Base-Base interactions energy: -1265.156
where: short stacking energy: -510.911
Base-Backbone interact. energy: 0.981
local terms energy: -591.684787
where:
bonds (distance) C4'-P energy: -111.656
bonds (distance) P-C4' energy: -130.701
flat angles C4'-P-C4' energy: -115.671
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -151.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1708.795350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.795350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.795350 (E_RNA)
where:
Base-Base interactions energy: -1161.272
where: short stacking energy: -487.576
Base-Backbone interact. energy: 2.416
local terms energy: -549.940256
where:
bonds (distance) C4'-P energy: -96.626
bonds (distance) P-C4' energy: -109.251
flat angles C4'-P-C4' energy: -115.492
flat angles P-C4'-P energy: -76.803
tors. eta vs tors. theta energy: -151.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1623.213346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.213346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.213346 (E_RNA)
where:
Base-Base interactions energy: -1093.003
where: short stacking energy: -472.706
Base-Backbone interact. energy: -0.746
local terms energy: -529.464415
where:
bonds (distance) C4'-P energy: -99.970
bonds (distance) P-C4' energy: -103.020
flat angles C4'-P-C4' energy: -115.698
flat angles P-C4'-P energy: -66.248
tors. eta vs tors. theta energy: -144.529
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1417.997733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.997733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.997733 (E_RNA)
where:
Base-Base interactions energy: -916.766
where: short stacking energy: -374.551
Base-Backbone interact. energy: 0.935
local terms energy: -502.166135
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -122.563
flat angles C4'-P-C4' energy: -113.504
flat angles P-C4'-P energy: -72.205
tors. eta vs tors. theta energy: -98.791
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: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1024.664757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.664757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.664757 (E_RNA)
where:
Base-Base interactions energy: -579.313
where: short stacking energy: -280.556
Base-Backbone interact. energy: 1.864
local terms energy: -447.215428
where:
bonds (distance) C4'-P energy: -94.910
bonds (distance) P-C4' energy: -115.718
flat angles C4'-P-C4' energy: -109.443
flat angles P-C4'-P energy: -68.556
tors. eta vs tors. theta energy: -58.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -665.562461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.562461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.562461 (E_RNA)
where:
Base-Base interactions energy: -299.647
where: short stacking energy: -193.213
Base-Backbone interact. energy: 1.562
local terms energy: -367.476938
where:
bonds (distance) C4'-P energy: -111.105
bonds (distance) P-C4' energy: -104.892
flat angles C4'-P-C4' energy: -97.879
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -464.338284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.338284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.338284 (E_RNA)
where:
Base-Base interactions energy: -170.578
where: short stacking energy: -140.548
Base-Backbone interact. energy: -1.109
local terms energy: -292.651539
where:
bonds (distance) C4'-P energy: -86.060
bonds (distance) P-C4' energy: -107.273
flat angles C4'-P-C4' energy: -76.392
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: 19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2177.366331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.366331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.366331 (E_RNA)
where:
Base-Base interactions energy: -1510.486
where: short stacking energy: -610.878
Base-Backbone interact. energy: -2.169
local terms energy: -664.711420
where:
bonds (distance) C4'-P energy: -119.680
bonds (distance) P-C4' energy: -125.438
flat angles C4'-P-C4' energy: -143.991
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -177.795
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2097.191757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.191757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.191757 (E_RNA)
where:
Base-Base interactions energy: -1437.094
where: short stacking energy: -596.110
Base-Backbone interact. energy: -3.415
local terms energy: -656.682690
where:
bonds (distance) C4'-P energy: -121.431
bonds (distance) P-C4' energy: -127.409
flat angles C4'-P-C4' energy: -134.693
flat angles P-C4'-P energy: -84.879
tors. eta vs tors. theta energy: -188.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1994.768649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.768649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.768649 (E_RNA)
where:
Base-Base interactions energy: -1396.094
where: short stacking energy: -579.740
Base-Backbone interact. energy: -0.035
local terms energy: -598.639126
where:
bonds (distance) C4'-P energy: -117.212
bonds (distance) P-C4' energy: -118.432
flat angles C4'-P-C4' energy: -112.408
flat angles P-C4'-P energy: -86.477
tors. eta vs tors. theta energy: -164.109
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: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1880.363111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.363111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.363111 (E_RNA)
where:
Base-Base interactions energy: -1294.694
where: short stacking energy: -528.216
Base-Backbone interact. energy: -1.233
local terms energy: -584.436046
where:
bonds (distance) C4'-P energy: -110.994
bonds (distance) P-C4' energy: -120.358
flat angles C4'-P-C4' energy: -128.397
flat angles P-C4'-P energy: -68.432
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1716.237932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.237932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.237932 (E_RNA)
where:
Base-Base interactions energy: -1173.593
where: short stacking energy: -491.103
Base-Backbone interact. energy: -0.215
local terms energy: -542.429290
where:
bonds (distance) C4'-P energy: -104.543
bonds (distance) P-C4' energy: -110.061
flat angles C4'-P-C4' energy: -126.257
flat angles P-C4'-P energy: -75.979
tors. eta vs tors. theta energy: -125.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1679.054722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.054722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.054722 (E_RNA)
where:
Base-Base interactions energy: -1129.686
where: short stacking energy: -479.445
Base-Backbone interact. energy: -1.205
local terms energy: -548.163956
where:
bonds (distance) C4'-P energy: -95.249
bonds (distance) P-C4' energy: -92.377
flat angles C4'-P-C4' energy: -125.793
flat angles P-C4'-P energy: -89.482
tors. eta vs tors. theta energy: -145.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1440.924621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.924621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.924621 (E_RNA)
where:
Base-Base interactions energy: -951.546
where: short stacking energy: -406.306
Base-Backbone interact. energy: 2.426
local terms energy: -491.804750
where:
bonds (distance) C4'-P energy: -98.196
bonds (distance) P-C4' energy: -100.834
flat angles C4'-P-C4' energy: -110.657
flat angles P-C4'-P energy: -77.077
tors. eta vs tors. theta energy: -105.040
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1008.538728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.538728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.538728 (E_RNA)
where:
Base-Base interactions energy: -612.217
where: short stacking energy: -256.828
Base-Backbone interact. energy: 2.723
local terms energy: -399.045449
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -97.851
flat angles C4'-P-C4' energy: -94.476
flat angles P-C4'-P energy: -61.041
tors. eta vs tors. theta energy: -36.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -706.279217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.279217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.279217 (E_RNA)
where:
Base-Base interactions energy: -371.900
where: short stacking energy: -196.004
Base-Backbone interact. energy: 0.078
local terms energy: -334.456814
where:
bonds (distance) C4'-P energy: -114.214
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -95.932
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: 3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -451.129307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.129307 (E_RNA)
where:
Base-Base interactions energy: -171.563
where: short stacking energy: -125.251
Base-Backbone interact. energy: -4.049
local terms energy: -275.517464
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -93.357
flat angles C4'-P-C4' energy: -75.317
flat angles P-C4'-P energy: -52.779
tors. eta vs tors. theta energy: 23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2169.685135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.685135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.685135 (E_RNA)
where:
Base-Base interactions energy: -1527.972
where: short stacking energy: -638.887
Base-Backbone interact. energy: -2.717
local terms energy: -638.996169
where:
bonds (distance) C4'-P energy: -117.484
bonds (distance) P-C4' energy: -109.633
flat angles C4'-P-C4' energy: -137.357
flat angles P-C4'-P energy: -90.356
tors. eta vs tors. theta energy: -184.167
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: 467
Temperature: 0.950000
Total energy: -2056.786852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.786852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.786852 (E_RNA)
where:
Base-Base interactions energy: -1380.749
where: short stacking energy: -561.599
Base-Backbone interact. energy: -1.309
local terms energy: -674.729232
where:
bonds (distance) C4'-P energy: -121.995
bonds (distance) P-C4' energy: -121.516
flat angles C4'-P-C4' energy: -141.028
flat angles P-C4'-P energy: -106.906
tors. eta vs tors. theta energy: -183.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2042.873692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.873692 (E_RNA)
where:
Base-Base interactions energy: -1365.820
where: short stacking energy: -593.425
Base-Backbone interact. energy: 1.884
local terms energy: -678.937801
where:
bonds (distance) C4'-P energy: -126.261
bonds (distance) P-C4' energy: -122.878
flat angles C4'-P-C4' energy: -142.771
flat angles P-C4'-P energy: -91.546
tors. eta vs tors. theta energy: -195.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1865.057571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.057571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.057571 (E_RNA)
where:
Base-Base interactions energy: -1250.377
where: short stacking energy: -524.441
Base-Backbone interact. energy: 0.054
local terms energy: -614.734961
where:
bonds (distance) C4'-P energy: -112.874
bonds (distance) P-C4' energy: -113.643
flat angles C4'-P-C4' energy: -138.517
flat angles P-C4'-P energy: -88.759
tors. eta vs tors. theta energy: -160.941
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: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1720.750695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.750695 (E_RNA)
where:
Base-Base interactions energy: -1161.849
where: short stacking energy: -485.529
Base-Backbone interact. energy: -2.384
local terms energy: -556.517171
where:
bonds (distance) C4'-P energy: -100.211
bonds (distance) P-C4' energy: -116.239
flat angles C4'-P-C4' energy: -126.911
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -142.300
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: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1629.893797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.893797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.893797 (E_RNA)
where:
Base-Base interactions energy: -1064.989
where: short stacking energy: -455.277
Base-Backbone interact. energy: -0.941
local terms energy: -563.963813
where:
bonds (distance) C4'-P energy: -113.385
bonds (distance) P-C4' energy: -125.982
flat angles C4'-P-C4' energy: -123.366
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -127.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1499.938115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.938115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.938115 (E_RNA)
where:
Base-Base interactions energy: -1023.114
where: short stacking energy: -424.133
Base-Backbone interact. energy: -3.838
local terms energy: -472.985875
where:
bonds (distance) C4'-P energy: -82.948
bonds (distance) P-C4' energy: -96.925
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -114.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1003.051221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.051221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.051221 (E_RNA)
where:
Base-Base interactions energy: -612.283
where: short stacking energy: -282.142
Base-Backbone interact. energy: 2.158
local terms energy: -392.925828
where:
bonds (distance) C4'-P energy: -101.215
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -53.065
tors. eta vs tors. theta energy: -42.059
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: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -794.005305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.005305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.005305 (E_RNA)
where:
Base-Base interactions energy: -416.924
where: short stacking energy: -227.545
Base-Backbone interact. energy: 2.800
local terms energy: -379.880657
where:
bonds (distance) C4'-P energy: -96.854
bonds (distance) P-C4' energy: -107.352
flat angles C4'-P-C4' energy: -94.228
flat angles P-C4'-P energy: -50.914
tors. eta vs tors. theta energy: -30.533
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: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -470.276909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.276909 (E_RNA)
where:
Base-Base interactions energy: -165.753
where: short stacking energy: -144.499
Base-Backbone interact. energy: -0.952
local terms energy: -303.571805
where:
bonds (distance) C4'-P energy: -98.512
bonds (distance) P-C4' energy: -99.282
flat angles C4'-P-C4' energy: -77.637
flat angles P-C4'-P energy: -46.883
tors. eta vs tors. theta energy: 18.742
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: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2150.238666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.238666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.238666 (E_RNA)
where:
Base-Base interactions energy: -1493.637
where: short stacking energy: -605.389
Base-Backbone interact. energy: -1.914
local terms energy: -654.687410
where:
bonds (distance) C4'-P energy: -132.839
bonds (distance) P-C4' energy: -115.738
flat angles C4'-P-C4' energy: -140.367
flat angles P-C4'-P energy: -85.426
tors. eta vs tors. theta energy: -180.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2040.778236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.778236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.778236 (E_RNA)
where:
Base-Base interactions energy: -1395.388
where: short stacking energy: -563.752
Base-Backbone interact. energy: -3.616
local terms energy: -641.773868
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -126.411
flat angles C4'-P-C4' energy: -134.237
flat angles P-C4'-P energy: -85.526
tors. eta vs tors. theta energy: -173.285
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: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2068.937625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.937625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.937625 (E_RNA)
where:
Base-Base interactions energy: -1425.656
where: short stacking energy: -591.884
Base-Backbone interact. energy: -0.347
local terms energy: -642.934981
where:
bonds (distance) C4'-P energy: -108.043
bonds (distance) P-C4' energy: -135.351
flat angles C4'-P-C4' energy: -130.967
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -178.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1904.901063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.901063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.901063 (E_RNA)
where:
Base-Base interactions energy: -1322.869
where: short stacking energy: -532.502
Base-Backbone interact. energy: -2.070
local terms energy: -579.962234
where:
bonds (distance) C4'-P energy: -113.963
bonds (distance) P-C4' energy: -107.982
flat angles C4'-P-C4' energy: -122.175
flat angles P-C4'-P energy: -82.054
tors. eta vs tors. theta energy: -153.788
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1696.662466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.662466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.662466 (E_RNA)
where:
Base-Base interactions energy: -1155.790
where: short stacking energy: -491.017
Base-Backbone interact. energy: 1.167
local terms energy: -542.038912
where:
bonds (distance) C4'-P energy: -109.239
bonds (distance) P-C4' energy: -111.656
flat angles C4'-P-C4' energy: -120.851
flat angles P-C4'-P energy: -65.529
tors. eta vs tors. theta energy: -134.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1694.254079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.254079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.254079 (E_RNA)
where:
Base-Base interactions energy: -1118.888
where: short stacking energy: -486.000
Base-Backbone interact. energy: -1.752
local terms energy: -573.613565
where:
bonds (distance) C4'-P energy: -109.174
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -123.998
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -142.859
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: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1432.897091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.897091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.897091 (E_RNA)
where:
Base-Base interactions energy: -941.492
where: short stacking energy: -416.332
Base-Backbone interact. energy: -3.102
local terms energy: -488.302667
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -119.494
flat angles C4'-P-C4' energy: -117.218
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -111.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1027.005157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.005157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.005157 (E_RNA)
where:
Base-Base interactions energy: -626.473
where: short stacking energy: -265.526
Base-Backbone interact. energy: -1.281
local terms energy: -399.251099
where:
bonds (distance) C4'-P energy: -103.696
bonds (distance) P-C4' energy: -99.414
flat angles C4'-P-C4' energy: -106.060
flat angles P-C4'-P energy: -58.221
tors. eta vs tors. theta energy: -31.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -671.388244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.388244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.388244 (E_RNA)
where:
Base-Base interactions energy: -334.516
where: short stacking energy: -187.646
Base-Backbone interact. energy: 2.272
local terms energy: -339.144371
where:
bonds (distance) C4'-P energy: -89.745
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -85.001
flat angles P-C4'-P energy: -61.843
tors. eta vs tors. theta energy: 7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -483.323347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.323347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.323347 (E_RNA)
where:
Base-Base interactions energy: -164.947
where: short stacking energy: -142.578
Base-Backbone interact. energy: 6.735
local terms energy: -325.111434
where:
bonds (distance) C4'-P energy: -79.888
bonds (distance) P-C4' energy: -109.953
flat angles C4'-P-C4' energy: -90.995
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: 19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2139.452702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.452702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.452702 (E_RNA)
where:
Base-Base interactions energy: -1491.489
where: short stacking energy: -627.850
Base-Backbone interact. energy: -0.703
local terms energy: -647.260157
where:
bonds (distance) C4'-P energy: -135.123
bonds (distance) P-C4' energy: -108.226
flat angles C4'-P-C4' energy: -144.514
flat angles P-C4'-P energy: -79.771
tors. eta vs tors. theta energy: -179.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2042.600832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.600832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.600832 (E_RNA)
where:
Base-Base interactions energy: -1417.485
where: short stacking energy: -567.433
Base-Backbone interact. energy: -2.307
local terms energy: -622.808847
where:
bonds (distance) C4'-P energy: -113.197
bonds (distance) P-C4' energy: -121.643
flat angles C4'-P-C4' energy: -119.094
flat angles P-C4'-P energy: -94.333
tors. eta vs tors. theta energy: -174.541
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: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2031.392099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.392099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.392099 (E_RNA)
where:
Base-Base interactions energy: -1395.616
where: short stacking energy: -598.896
Base-Backbone interact. energy: -0.558
local terms energy: -635.217317
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -117.805
flat angles C4'-P-C4' energy: -140.867
flat angles P-C4'-P energy: -80.760
tors. eta vs tors. theta energy: -185.008
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1883.894186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.894186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.894186 (E_RNA)
where:
Base-Base interactions energy: -1303.676
where: short stacking energy: -534.078
Base-Backbone interact. energy: 3.907
local terms energy: -584.125610
where:
bonds (distance) C4'-P energy: -96.801
bonds (distance) P-C4' energy: -108.872
flat angles C4'-P-C4' energy: -139.076
flat angles P-C4'-P energy: -77.346
tors. eta vs tors. theta energy: -162.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1714.431387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.431387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.431387 (E_RNA)
where:
Base-Base interactions energy: -1163.553
where: short stacking energy: -485.031
Base-Backbone interact. energy: -3.049
local terms energy: -547.829536
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -104.111
flat angles C4'-P-C4' energy: -119.307
flat angles P-C4'-P energy: -72.648
tors. eta vs tors. theta energy: -140.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1661.070407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.070407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.070407 (E_RNA)
where:
Base-Base interactions energy: -1097.580
where: short stacking energy: -465.380
Base-Backbone interact. energy: 0.587
local terms energy: -564.077435
where:
bonds (distance) C4'-P energy: -97.297
bonds (distance) P-C4' energy: -117.399
flat angles C4'-P-C4' energy: -129.418
flat angles P-C4'-P energy: -77.442
tors. eta vs tors. theta energy: -142.521
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: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1448.551022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.551022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.551022 (E_RNA)
where:
Base-Base interactions energy: -962.716
where: short stacking energy: -445.370
Base-Backbone interact. energy: 1.133
local terms energy: -486.967936
where:
bonds (distance) C4'-P energy: -97.132
bonds (distance) P-C4' energy: -80.737
flat angles C4'-P-C4' energy: -114.863
flat angles P-C4'-P energy: -71.156
tors. eta vs tors. theta energy: -123.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -958.943181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.943181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.943181 (E_RNA)
where:
Base-Base interactions energy: -592.319
where: short stacking energy: -240.774
Base-Backbone interact. energy: 2.746
local terms energy: -369.370691
where:
bonds (distance) C4'-P energy: -92.922
bonds (distance) P-C4' energy: -116.745
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -52.528
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -712.634370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.634370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.634370 (E_RNA)
where:
Base-Base interactions energy: -349.553
where: short stacking energy: -177.079
Base-Backbone interact. energy: 0.473
local terms energy: -363.554687
where:
bonds (distance) C4'-P energy: -110.452
bonds (distance) P-C4' energy: -105.665
flat angles C4'-P-C4' energy: -94.275
flat angles P-C4'-P energy: -50.446
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -464.171693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.171693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.171693 (E_RNA)
where:
Base-Base interactions energy: -149.056
where: short stacking energy: -137.164
Base-Backbone interact. energy: 0.007
local terms energy: -315.121790
where:
bonds (distance) C4'-P energy: -90.591
bonds (distance) P-C4' energy: -103.163
flat angles C4'-P-C4' energy: -87.722
flat angles P-C4'-P energy: -65.596
tors. eta vs tors. theta energy: 31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2139.663047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.663047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.663047 (E_RNA)
where:
Base-Base interactions energy: -1509.676
where: short stacking energy: -625.177
Base-Backbone interact. energy: -0.143
local terms energy: -629.843960
where:
bonds (distance) C4'-P energy: -116.892
bonds (distance) P-C4' energy: -115.063
flat angles C4'-P-C4' energy: -127.977
flat angles P-C4'-P energy: -94.812
tors. eta vs tors. theta energy: -175.099
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: 470
Temperature: 0.950000
Total energy: -2041.714208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.714208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.714208 (E_RNA)
where:
Base-Base interactions energy: -1421.223
where: short stacking energy: -578.087
Base-Backbone interact. energy: -1.564
local terms energy: -618.926807
where:
bonds (distance) C4'-P energy: -112.316
bonds (distance) P-C4' energy: -116.658
flat angles C4'-P-C4' energy: -140.894
flat angles P-C4'-P energy: -87.128
tors. eta vs tors. theta energy: -161.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2064.799148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.799148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.799148 (E_RNA)
where:
Base-Base interactions energy: -1401.008
where: short stacking energy: -578.563
Base-Backbone interact. energy: -3.464
local terms energy: -660.327975
where:
bonds (distance) C4'-P energy: -123.890
bonds (distance) P-C4' energy: -129.286
flat angles C4'-P-C4' energy: -130.224
flat angles P-C4'-P energy: -88.279
tors. eta vs tors. theta energy: -188.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1896.264290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.264290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.264290 (E_RNA)
where:
Base-Base interactions energy: -1304.810
where: short stacking energy: -510.947
Base-Backbone interact. energy: -1.270
local terms energy: -590.184609
where:
bonds (distance) C4'-P energy: -120.515
bonds (distance) P-C4' energy: -110.576
flat angles C4'-P-C4' energy: -133.633
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -145.260
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1693.268992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.268992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.268992 (E_RNA)
where:
Base-Base interactions energy: -1163.488
where: short stacking energy: -494.110
Base-Backbone interact. energy: -1.321
local terms energy: -528.460755
where:
bonds (distance) C4'-P energy: -101.469
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -111.070
flat angles P-C4'-P energy: -66.437
tors. eta vs tors. theta energy: -137.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1644.589941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.589941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.589941 (E_RNA)
where:
Base-Base interactions energy: -1111.165
where: short stacking energy: -475.664
Base-Backbone interact. energy: 0.493
local terms energy: -533.917598
where:
bonds (distance) C4'-P energy: -108.711
bonds (distance) P-C4' energy: -100.956
flat angles C4'-P-C4' energy: -114.926
flat angles P-C4'-P energy: -66.056
tors. eta vs tors. theta energy: -143.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1472.658833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.658833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.658833 (E_RNA)
where:
Base-Base interactions energy: -942.655
where: short stacking energy: -406.663
Base-Backbone interact. energy: -1.757
local terms energy: -528.246981
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -101.403
flat angles C4'-P-C4' energy: -119.638
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -129.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1039.168429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.168429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.168429 (E_RNA)
where:
Base-Base interactions energy: -629.720
where: short stacking energy: -278.421
Base-Backbone interact. energy: 1.034
local terms energy: -410.482642
where:
bonds (distance) C4'-P energy: -107.415
bonds (distance) P-C4' energy: -96.209
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -42.165
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -733.386158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.386158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.386158 (E_RNA)
where:
Base-Base interactions energy: -365.417
where: short stacking energy: -189.095
Base-Backbone interact. energy: -0.985
local terms energy: -366.983682
where:
bonds (distance) C4'-P energy: -99.726
bonds (distance) P-C4' energy: -103.100
flat angles C4'-P-C4' energy: -110.179
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: 7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -497.068149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.068149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.068149 (E_RNA)
where:
Base-Base interactions energy: -183.673
where: short stacking energy: -134.126
Base-Backbone interact. energy: 1.422
local terms energy: -314.817959
where:
bonds (distance) C4'-P energy: -93.839
bonds (distance) P-C4' energy: -92.614
flat angles C4'-P-C4' energy: -86.015
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: 20.797
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: 471
Temperature: 0.900000
Total energy: -2166.208579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.208579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.208579 (E_RNA)
where:
Base-Base interactions energy: -1498.973
where: short stacking energy: -612.861
Base-Backbone interact. energy: -1.230
local terms energy: -666.005182
where:
bonds (distance) C4'-P energy: -131.502
bonds (distance) P-C4' energy: -114.635
flat angles C4'-P-C4' energy: -145.071
flat angles P-C4'-P energy: -90.167
tors. eta vs tors. theta energy: -184.629
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2093.615613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.615613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.615613 (E_RNA)
where:
Base-Base interactions energy: -1424.533
where: short stacking energy: -582.232
Base-Backbone interact. energy: -3.526
local terms energy: -665.556398
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -116.085
flat angles C4'-P-C4' energy: -138.830
flat angles P-C4'-P energy: -94.593
tors. eta vs tors. theta energy: -187.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1990.896014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.896014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.896014 (E_RNA)
where:
Base-Base interactions energy: -1369.947
where: short stacking energy: -551.898
Base-Backbone interact. energy: -3.385
local terms energy: -617.564061
where:
bonds (distance) C4'-P energy: -128.074
bonds (distance) P-C4' energy: -115.513
flat angles C4'-P-C4' energy: -124.981
flat angles P-C4'-P energy: -83.762
tors. eta vs tors. theta energy: -165.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1905.041236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.041236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.041236 (E_RNA)
where:
Base-Base interactions energy: -1322.593
where: short stacking energy: -534.672
Base-Backbone interact. energy: -4.789
local terms energy: -577.658306
where:
bonds (distance) C4'-P energy: -103.954
bonds (distance) P-C4' energy: -94.031
flat angles C4'-P-C4' energy: -137.041
flat angles P-C4'-P energy: -81.061
tors. eta vs tors. theta energy: -161.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1710.447000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.447000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.447000 (E_RNA)
where:
Base-Base interactions energy: -1160.924
where: short stacking energy: -485.248
Base-Backbone interact. energy: -3.522
local terms energy: -546.000748
where:
bonds (distance) C4'-P energy: -111.097
bonds (distance) P-C4' energy: -103.810
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -78.013
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: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1631.597749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.597749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.597749 (E_RNA)
where:
Base-Base interactions energy: -1083.122
where: short stacking energy: -458.205
Base-Backbone interact. energy: -0.336
local terms energy: -548.140060
where:
bonds (distance) C4'-P energy: -115.080
bonds (distance) P-C4' energy: -104.756
flat angles C4'-P-C4' energy: -118.455
flat angles P-C4'-P energy: -72.578
tors. eta vs tors. theta energy: -137.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1440.866310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.866310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.866310 (E_RNA)
where:
Base-Base interactions energy: -930.357
where: short stacking energy: -419.802
Base-Backbone interact. energy: -1.206
local terms energy: -509.303202
where:
bonds (distance) C4'-P energy: -92.217
bonds (distance) P-C4' energy: -108.169
flat angles C4'-P-C4' energy: -121.934
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -106.454
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: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1009.868867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.868867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.868867 (E_RNA)
where:
Base-Base interactions energy: -620.502
where: short stacking energy: -256.583
Base-Backbone interact. energy: 3.812
local terms energy: -393.179665
where:
bonds (distance) C4'-P energy: -104.679
bonds (distance) P-C4' energy: -113.903
flat angles C4'-P-C4' energy: -81.750
flat angles P-C4'-P energy: -62.225
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -712.331577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.331577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.331577 (E_RNA)
where:
Base-Base interactions energy: -336.470
where: short stacking energy: -179.509
Base-Backbone interact. energy: -4.181
local terms energy: -371.681271
where:
bonds (distance) C4'-P energy: -102.738
bonds (distance) P-C4' energy: -115.908
flat angles C4'-P-C4' energy: -85.562
flat angles P-C4'-P energy: -56.498
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -467.670441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.670441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.670441 (E_RNA)
where:
Base-Base interactions energy: -159.773
where: short stacking energy: -119.734
Base-Backbone interact. energy: 4.333
local terms energy: -312.230524
where:
bonds (distance) C4'-P energy: -91.149
bonds (distance) P-C4' energy: -115.388
flat angles C4'-P-C4' energy: -78.568
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: 24.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2178.408988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.408988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.408988 (E_RNA)
where:
Base-Base interactions energy: -1537.373
where: short stacking energy: -620.638
Base-Backbone interact. energy: -1.149
local terms energy: -639.887363
where:
bonds (distance) C4'-P energy: -121.864
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -134.312
flat angles P-C4'-P energy: -84.350
tors. eta vs tors. theta energy: -179.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2087.978973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.978973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.978973 (E_RNA)
where:
Base-Base interactions energy: -1469.001
where: short stacking energy: -603.889
Base-Backbone interact. energy: -1.634
local terms energy: -617.344244
where:
bonds (distance) C4'-P energy: -100.695
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -86.301
tors. eta vs tors. theta energy: -189.249
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: 472
Temperature: 1.000000
Total energy: -1981.676701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.676701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.676701 (E_RNA)
where:
Base-Base interactions energy: -1365.955
where: short stacking energy: -563.283
Base-Backbone interact. energy: -2.861
local terms energy: -612.860431
where:
bonds (distance) C4'-P energy: -112.405
bonds (distance) P-C4' energy: -125.977
flat angles C4'-P-C4' energy: -122.448
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -173.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1886.832746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.832746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.832746 (E_RNA)
where:
Base-Base interactions energy: -1296.974
where: short stacking energy: -538.654
Base-Backbone interact. energy: 5.174
local terms energy: -595.032416
where:
bonds (distance) C4'-P energy: -117.886
bonds (distance) P-C4' energy: -94.530
flat angles C4'-P-C4' energy: -123.117
flat angles P-C4'-P energy: -94.335
tors. eta vs tors. theta energy: -165.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1708.228313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.228313 (E_RNA)
where:
Base-Base interactions energy: -1140.339
where: short stacking energy: -508.713
Base-Backbone interact. energy: -0.292
local terms energy: -567.597252
where:
bonds (distance) C4'-P energy: -105.560
bonds (distance) P-C4' energy: -103.526
flat angles C4'-P-C4' energy: -132.272
flat angles P-C4'-P energy: -77.113
tors. eta vs tors. theta energy: -149.127
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: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1630.835031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.835031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.835031 (E_RNA)
where:
Base-Base interactions energy: -1088.918
where: short stacking energy: -475.657
Base-Backbone interact. energy: -2.167
local terms energy: -539.749932
where:
bonds (distance) C4'-P energy: -95.731
bonds (distance) P-C4' energy: -109.210
flat angles C4'-P-C4' energy: -109.799
flat angles P-C4'-P energy: -81.702
tors. eta vs tors. theta energy: -143.308
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: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1432.583620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.583620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.583620 (E_RNA)
where:
Base-Base interactions energy: -945.643
where: short stacking energy: -411.554
Base-Backbone interact. energy: -4.195
local terms energy: -482.746153
where:
bonds (distance) C4'-P energy: -100.300
bonds (distance) P-C4' energy: -101.833
flat angles C4'-P-C4' energy: -96.787
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -108.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1000.307872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.307872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.307872 (E_RNA)
where:
Base-Base interactions energy: -593.473
where: short stacking energy: -248.369
Base-Backbone interact. energy: -0.957
local terms energy: -405.877800
where:
bonds (distance) C4'-P energy: -98.809
bonds (distance) P-C4' energy: -106.394
flat angles C4'-P-C4' energy: -98.480
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -739.996325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.996325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.996325 (E_RNA)
where:
Base-Base interactions energy: -407.869
where: short stacking energy: -197.514
Base-Backbone interact. energy: 1.443
local terms energy: -333.570545
where:
bonds (distance) C4'-P energy: -92.017
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -92.456
flat angles P-C4'-P energy: -54.502
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -484.382083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.382083 (E_RNA)
where:
Base-Base interactions energy: -176.254
where: short stacking energy: -125.487
Base-Backbone interact. energy: 2.078
local terms energy: -310.205922
where:
bonds (distance) C4'-P energy: -95.818
bonds (distance) P-C4' energy: -112.815
flat angles C4'-P-C4' energy: -79.479
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: 41.420
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: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2188.504838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.504838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.504838 (E_RNA)
where:
Base-Base interactions energy: -1550.608
where: short stacking energy: -632.102
Base-Backbone interact. energy: -3.273
local terms energy: -634.623858
where:
bonds (distance) C4'-P energy: -125.964
bonds (distance) P-C4' energy: -116.657
flat angles C4'-P-C4' energy: -128.362
flat angles P-C4'-P energy: -85.015
tors. eta vs tors. theta energy: -178.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2085.240870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.240870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.240870 (E_RNA)
where:
Base-Base interactions energy: -1423.022
where: short stacking energy: -602.472
Base-Backbone interact. energy: 0.091
local terms energy: -662.310151
where:
bonds (distance) C4'-P energy: -117.137
bonds (distance) P-C4' energy: -114.623
flat angles C4'-P-C4' energy: -141.390
flat angles P-C4'-P energy: -94.328
tors. eta vs tors. theta energy: -194.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1961.968029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.968029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.968029 (E_RNA)
where:
Base-Base interactions energy: -1313.516
where: short stacking energy: -534.245
Base-Backbone interact. energy: -3.028
local terms energy: -645.423633
where:
bonds (distance) C4'-P energy: -113.278
bonds (distance) P-C4' energy: -111.025
flat angles C4'-P-C4' energy: -135.162
flat angles P-C4'-P energy: -97.182
tors. eta vs tors. theta energy: -188.776
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: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1886.244791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.244791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.244791 (E_RNA)
where:
Base-Base interactions energy: -1292.433
where: short stacking energy: -516.009
Base-Backbone interact. energy: -3.115
local terms energy: -590.696802
where:
bonds (distance) C4'-P energy: -106.020
bonds (distance) P-C4' energy: -126.132
flat angles C4'-P-C4' energy: -115.471
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -165.920
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: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1709.753073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.753073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.753073 (E_RNA)
where:
Base-Base interactions energy: -1155.573
where: short stacking energy: -520.466
Base-Backbone interact. energy: -2.208
local terms energy: -551.972284
where:
bonds (distance) C4'-P energy: -106.477
bonds (distance) P-C4' energy: -110.426
flat angles C4'-P-C4' energy: -101.411
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -156.243
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1675.988451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.988451 (E_RNA)
where:
Base-Base interactions energy: -1107.514
where: short stacking energy: -482.670
Base-Backbone interact. energy: 0.194
local terms energy: -568.668483
where:
bonds (distance) C4'-P energy: -119.033
bonds (distance) P-C4' energy: -103.715
flat angles C4'-P-C4' energy: -121.556
flat angles P-C4'-P energy: -76.821
tors. eta vs tors. theta energy: -147.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1404.119008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.119008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.119008 (E_RNA)
where:
Base-Base interactions energy: -918.881
where: short stacking energy: -369.781
Base-Backbone interact. energy: -2.900
local terms energy: -482.338547
where:
bonds (distance) C4'-P energy: -108.555
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -103.451
flat angles P-C4'-P energy: -68.489
tors. eta vs tors. theta energy: -93.706
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: 473
Temperature: 1.250000
Total energy: -998.544357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.544357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.544357 (E_RNA)
where:
Base-Base interactions energy: -570.797
where: short stacking energy: -258.184
Base-Backbone interact. energy: -2.539
local terms energy: -425.208669
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -113.487
flat angles C4'-P-C4' energy: -118.642
flat angles P-C4'-P energy: -62.657
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -738.227507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.227507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.227507 (E_RNA)
where:
Base-Base interactions energy: -401.010
where: short stacking energy: -208.054
Base-Backbone interact. energy: -0.540
local terms energy: -336.677779
where:
bonds (distance) C4'-P energy: -94.003
bonds (distance) P-C4' energy: -92.323
flat angles C4'-P-C4' energy: -93.486
flat angles P-C4'-P energy: -59.684
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: 473
Temperature: 1.350000
Total energy: -487.193435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.193435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.193435 (E_RNA)
where:
Base-Base interactions energy: -194.958
where: short stacking energy: -115.618
Base-Backbone interact. energy: -0.929
local terms energy: -291.307270
where:
bonds (distance) C4'-P energy: -87.876
bonds (distance) P-C4' energy: -113.347
flat angles C4'-P-C4' energy: -81.581
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: 31.552
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: 474
Temperature: 0.900000
Total energy: -2180.694456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.694456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.694456 (E_RNA)
where:
Base-Base interactions energy: -1522.371
where: short stacking energy: -640.437
Base-Backbone interact. energy: 3.940
local terms energy: -662.263398
where:
bonds (distance) C4'-P energy: -121.872
bonds (distance) P-C4' energy: -117.780
flat angles C4'-P-C4' energy: -139.801
flat angles P-C4'-P energy: -100.182
tors. eta vs tors. theta energy: -182.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2105.066343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.066343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.066343 (E_RNA)
where:
Base-Base interactions energy: -1422.606
where: short stacking energy: -610.027
Base-Backbone interact. energy: -1.177
local terms energy: -681.283177
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -120.165
flat angles C4'-P-C4' energy: -137.328
flat angles P-C4'-P energy: -95.945
tors. eta vs tors. theta energy: -209.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1970.672345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.672345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.672345 (E_RNA)
where:
Base-Base interactions energy: -1322.814
where: short stacking energy: -542.689
Base-Backbone interact. energy: -3.340
local terms energy: -644.517844
where:
bonds (distance) C4'-P energy: -126.939
bonds (distance) P-C4' energy: -112.239
flat angles C4'-P-C4' energy: -124.015
flat angles P-C4'-P energy: -103.842
tors. eta vs tors. theta energy: -177.483
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: 474
Temperature: 1.050000
Total energy: -1946.353458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.353458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.353458 (E_RNA)
where:
Base-Base interactions energy: -1359.113
where: short stacking energy: -530.982
Base-Backbone interact. energy: -3.464
local terms energy: -583.776520
where:
bonds (distance) C4'-P energy: -102.588
bonds (distance) P-C4' energy: -120.020
flat angles C4'-P-C4' energy: -124.872
flat angles P-C4'-P energy: -79.027
tors. eta vs tors. theta energy: -157.271
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: 474
Temperature: 1.100000
Total energy: -1695.036185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.036185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.036185 (E_RNA)
where:
Base-Base interactions energy: -1127.344
where: short stacking energy: -490.840
Base-Backbone interact. energy: -3.404
local terms energy: -564.288092
where:
bonds (distance) C4'-P energy: -110.043
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -115.882
flat angles P-C4'-P energy: -72.900
tors. eta vs tors. theta energy: -148.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1669.332777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.332777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.332777 (E_RNA)
where:
Base-Base interactions energy: -1083.870
where: short stacking energy: -479.873
Base-Backbone interact. energy: 0.788
local terms energy: -586.250775
where:
bonds (distance) C4'-P energy: -102.732
bonds (distance) P-C4' energy: -103.024
flat angles C4'-P-C4' energy: -136.782
flat angles P-C4'-P energy: -95.334
tors. eta vs tors. theta energy: -148.380
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: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1416.712496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.712496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.712496 (E_RNA)
where:
Base-Base interactions energy: -942.278
where: short stacking energy: -385.324
Base-Backbone interact. energy: 1.507
local terms energy: -475.941747
where:
bonds (distance) C4'-P energy: -100.064
bonds (distance) P-C4' energy: -109.213
flat angles C4'-P-C4' energy: -102.599
flat angles P-C4'-P energy: -68.451
tors. eta vs tors. theta energy: -95.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1041.153218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.153218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.153218 (E_RNA)
where:
Base-Base interactions energy: -641.797
where: short stacking energy: -289.347
Base-Backbone interact. energy: 2.093
local terms energy: -401.449665
where:
bonds (distance) C4'-P energy: -94.698
bonds (distance) P-C4' energy: -111.822
flat angles C4'-P-C4' energy: -91.758
flat angles P-C4'-P energy: -64.032
tors. eta vs tors. theta energy: -39.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -743.076194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.076194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.076194 (E_RNA)
where:
Base-Base interactions energy: -382.720
where: short stacking energy: -206.577
Base-Backbone interact. energy: -1.244
local terms energy: -359.111974
where:
bonds (distance) C4'-P energy: -104.639
bonds (distance) P-C4' energy: -90.660
flat angles C4'-P-C4' energy: -100.605
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -481.725485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.725485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.725485 (E_RNA)
where:
Base-Base interactions energy: -172.613
where: short stacking energy: -142.610
Base-Backbone interact. energy: -2.278
local terms energy: -306.834859
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -94.061
flat angles C4'-P-C4' energy: -83.539
flat angles P-C4'-P energy: -57.559
tors. eta vs tors. theta energy: 20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2185.049828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.049828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.049828 (E_RNA)
where:
Base-Base interactions energy: -1529.035
where: short stacking energy: -625.319
Base-Backbone interact. energy: 0.026
local terms energy: -656.041300
where:
bonds (distance) C4'-P energy: -119.873
bonds (distance) P-C4' energy: -122.651
flat angles C4'-P-C4' energy: -143.166
flat angles P-C4'-P energy: -91.198
tors. eta vs tors. theta energy: -179.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2064.177585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.177585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.177585 (E_RNA)
where:
Base-Base interactions energy: -1418.480
where: short stacking energy: -610.214
Base-Backbone interact. energy: -0.400
local terms energy: -645.298019
where:
bonds (distance) C4'-P energy: -92.441
bonds (distance) P-C4' energy: -120.909
flat angles C4'-P-C4' energy: -135.414
flat angles P-C4'-P energy: -95.578
tors. eta vs tors. theta energy: -200.956
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1977.076327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.076327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.076327 (E_RNA)
where:
Base-Base interactions energy: -1330.610
where: short stacking energy: -545.963
Base-Backbone interact. energy: -1.775
local terms energy: -644.690772
where:
bonds (distance) C4'-P energy: -116.840
bonds (distance) P-C4' energy: -117.948
flat angles C4'-P-C4' energy: -135.526
flat angles P-C4'-P energy: -98.612
tors. eta vs tors. theta energy: -175.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1885.287729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.287729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.287729 (E_RNA)
where:
Base-Base interactions energy: -1309.388
where: short stacking energy: -520.233
Base-Backbone interact. energy: -2.661
local terms energy: -573.238902
where:
bonds (distance) C4'-P energy: -105.644
bonds (distance) P-C4' energy: -108.830
flat angles C4'-P-C4' energy: -124.229
flat angles P-C4'-P energy: -77.756
tors. eta vs tors. theta energy: -156.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1772.702143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.702143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.702143 (E_RNA)
where:
Base-Base interactions energy: -1191.853
where: short stacking energy: -505.109
Base-Backbone interact. energy: -0.993
local terms energy: -579.855896
where:
bonds (distance) C4'-P energy: -118.575
bonds (distance) P-C4' energy: -115.416
flat angles C4'-P-C4' energy: -110.360
flat angles P-C4'-P energy: -87.295
tors. eta vs tors. theta energy: -148.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1658.887623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.887623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.887623 (E_RNA)
where:
Base-Base interactions energy: -1087.577
where: short stacking energy: -464.255
Base-Backbone interact. energy: -3.753
local terms energy: -567.557493
where:
bonds (distance) C4'-P energy: -99.984
bonds (distance) P-C4' energy: -114.467
flat angles C4'-P-C4' energy: -118.191
flat angles P-C4'-P energy: -93.240
tors. eta vs tors. theta energy: -141.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1433.341549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.341549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.341549 (E_RNA)
where:
Base-Base interactions energy: -932.914
where: short stacking energy: -392.450
Base-Backbone interact. energy: -1.433
local terms energy: -498.994008
where:
bonds (distance) C4'-P energy: -108.372
bonds (distance) P-C4' energy: -97.013
flat angles C4'-P-C4' energy: -123.466
flat angles P-C4'-P energy: -76.102
tors. eta vs tors. theta energy: -94.040
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: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1086.491929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.491929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.491929 (E_RNA)
where:
Base-Base interactions energy: -649.016
where: short stacking energy: -279.227
Base-Backbone interact. energy: 0.911
local terms energy: -438.387190
where:
bonds (distance) C4'-P energy: -108.501
bonds (distance) P-C4' energy: -104.920
flat angles C4'-P-C4' energy: -94.970
flat angles P-C4'-P energy: -77.998
tors. eta vs tors. theta energy: -51.998
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -739.323807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.323807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.323807 (E_RNA)
where:
Base-Base interactions energy: -369.241
where: short stacking energy: -195.329
Base-Backbone interact. energy: -0.751
local terms energy: -369.330896
where:
bonds (distance) C4'-P energy: -108.112
bonds (distance) P-C4' energy: -102.708
flat angles C4'-P-C4' energy: -84.562
flat angles P-C4'-P energy: -66.064
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -465.776866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.776866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.776866 (E_RNA)
where:
Base-Base interactions energy: -171.447
where: short stacking energy: -137.589
Base-Backbone interact. energy: 3.123
local terms energy: -297.453322
where:
bonds (distance) C4'-P energy: -93.221
bonds (distance) P-C4' energy: -117.961
flat angles C4'-P-C4' energy: -74.553
flat angles P-C4'-P energy: -42.122
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: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2170.180033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.180033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.180033 (E_RNA)
where:
Base-Base interactions energy: -1502.788
where: short stacking energy: -610.827
Base-Backbone interact. energy: -1.062
local terms energy: -666.330863
where:
bonds (distance) C4'-P energy: -111.757
bonds (distance) P-C4' energy: -132.111
flat angles C4'-P-C4' energy: -141.186
flat angles P-C4'-P energy: -104.487
tors. eta vs tors. theta energy: -176.789
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: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2058.974989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.974989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.974989 (E_RNA)
where:
Base-Base interactions energy: -1419.265
where: short stacking energy: -597.886
Base-Backbone interact. energy: 0.756
local terms energy: -640.466569
where:
bonds (distance) C4'-P energy: -115.370
bonds (distance) P-C4' energy: -107.325
flat angles C4'-P-C4' energy: -138.494
flat angles P-C4'-P energy: -90.360
tors. eta vs tors. theta energy: -188.917
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2002.441713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.441713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.441713 (E_RNA)
where:
Base-Base interactions energy: -1376.826
where: short stacking energy: -579.550
Base-Backbone interact. energy: -1.989
local terms energy: -623.627050
where:
bonds (distance) C4'-P energy: -104.287
bonds (distance) P-C4' energy: -111.992
flat angles C4'-P-C4' energy: -135.871
flat angles P-C4'-P energy: -89.962
tors. eta vs tors. theta energy: -181.514
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: 476
Temperature: 1.050000
Total energy: -1931.063979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.063979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.063979 (E_RNA)
where:
Base-Base interactions energy: -1345.469
where: short stacking energy: -546.733
Base-Backbone interact. energy: -2.252
local terms energy: -583.343678
where:
bonds (distance) C4'-P energy: -113.177
bonds (distance) P-C4' energy: -108.842
flat angles C4'-P-C4' energy: -127.678
flat angles P-C4'-P energy: -79.482
tors. eta vs tors. theta energy: -154.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1744.368457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.368457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.368457 (E_RNA)
where:
Base-Base interactions energy: -1180.465
where: short stacking energy: -509.287
Base-Backbone interact. energy: -5.655
local terms energy: -558.248814
where:
bonds (distance) C4'-P energy: -105.942
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -126.399
flat angles P-C4'-P energy: -75.979
tors. eta vs tors. theta energy: -142.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1582.473477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.473477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.473477 (E_RNA)
where:
Base-Base interactions energy: -1107.436
where: short stacking energy: -454.165
Base-Backbone interact. energy: 2.577
local terms energy: -477.613680
where:
bonds (distance) C4'-P energy: -91.204
bonds (distance) P-C4' energy: -95.540
flat angles C4'-P-C4' energy: -113.151
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -127.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1468.079351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.079351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.079351 (E_RNA)
where:
Base-Base interactions energy: -963.886
where: short stacking energy: -434.536
Base-Backbone interact. energy: -5.478
local terms energy: -498.715673
where:
bonds (distance) C4'-P energy: -107.169
bonds (distance) P-C4' energy: -97.800
flat angles C4'-P-C4' energy: -119.111
flat angles P-C4'-P energy: -65.807
tors. eta vs tors. theta energy: -108.828
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: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1156.814629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.814629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.814629 (E_RNA)
where:
Base-Base interactions energy: -729.817
where: short stacking energy: -326.003
Base-Backbone interact. energy: 0.009
local terms energy: -427.007484
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -108.699
flat angles C4'-P-C4' energy: -108.114
flat angles P-C4'-P energy: -64.146
tors. eta vs tors. theta energy: -56.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -675.698547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.698547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.698547 (E_RNA)
where:
Base-Base interactions energy: -328.137
where: short stacking energy: -166.942
Base-Backbone interact. energy: -3.902
local terms energy: -343.659634
where:
bonds (distance) C4'-P energy: -112.923
bonds (distance) P-C4' energy: -105.471
flat angles C4'-P-C4' energy: -92.769
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: 8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -485.789980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.789980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.789980 (E_RNA)
where:
Base-Base interactions energy: -169.107
where: short stacking energy: -123.464
Base-Backbone interact. energy: 1.400
local terms energy: -318.082447
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -109.466
flat angles C4'-P-C4' energy: -89.658
flat angles P-C4'-P energy: -59.144
tors. eta vs tors. theta energy: 38.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2132.881503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.881503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.881503 (E_RNA)
where:
Base-Base interactions energy: -1452.535
where: short stacking energy: -620.006
Base-Backbone interact. energy: -3.855
local terms energy: -676.491535
where:
bonds (distance) C4'-P energy: -132.640
bonds (distance) P-C4' energy: -127.298
flat angles C4'-P-C4' energy: -136.981
flat angles P-C4'-P energy: -96.550
tors. eta vs tors. theta energy: -183.023
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: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2073.498539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.498539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.498539 (E_RNA)
where:
Base-Base interactions energy: -1398.820
where: short stacking energy: -593.029
Base-Backbone interact. energy: -2.006
local terms energy: -672.673460
where:
bonds (distance) C4'-P energy: -127.293
bonds (distance) P-C4' energy: -118.221
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -192.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1961.353676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.353676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.353676 (E_RNA)
where:
Base-Base interactions energy: -1341.133
where: short stacking energy: -560.788
Base-Backbone interact. energy: -1.521
local terms energy: -618.700075
where:
bonds (distance) C4'-P energy: -106.499
bonds (distance) P-C4' energy: -99.320
flat angles C4'-P-C4' energy: -127.988
flat angles P-C4'-P energy: -100.596
tors. eta vs tors. theta energy: -184.297
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1924.343909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.343909 (E_RNA)
where:
Base-Base interactions energy: -1302.508
where: short stacking energy: -525.246
Base-Backbone interact. energy: -0.661
local terms energy: -621.174438
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -126.505
flat angles C4'-P-C4' energy: -137.546
flat angles P-C4'-P energy: -89.745
tors. eta vs tors. theta energy: -157.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1703.827909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.827909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.827909 (E_RNA)
where:
Base-Base interactions energy: -1139.671
where: short stacking energy: -496.388
Base-Backbone interact. energy: -2.749
local terms energy: -561.407744
where:
bonds (distance) C4'-P energy: -108.966
bonds (distance) P-C4' energy: -95.601
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -77.946
tors. eta vs tors. theta energy: -145.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1565.653522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.653522 (E_RNA)
where:
Base-Base interactions energy: -1033.107
where: short stacking energy: -452.224
Base-Backbone interact. energy: 0.158
local terms energy: -532.704394
where:
bonds (distance) C4'-P energy: -118.835
bonds (distance) P-C4' energy: -95.509
flat angles C4'-P-C4' energy: -112.020
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -124.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1399.912949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.912949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.912949 (E_RNA)
where:
Base-Base interactions energy: -908.913
where: short stacking energy: -377.245
Base-Backbone interact. energy: -1.511
local terms energy: -489.489343
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -115.272
flat angles C4'-P-C4' energy: -111.641
flat angles P-C4'-P energy: -69.616
tors. eta vs tors. theta energy: -99.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1118.472952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.472952 (E_RNA)
where:
Base-Base interactions energy: -693.361
where: short stacking energy: -309.864
Base-Backbone interact. energy: -2.592
local terms energy: -422.519899
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -101.476
flat angles P-C4'-P energy: -66.043
tors. eta vs tors. theta energy: -60.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -725.919442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.919442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.919442 (E_RNA)
where:
Base-Base interactions energy: -382.977
where: short stacking energy: -186.329
Base-Backbone interact. energy: 4.180
local terms energy: -347.122841
where:
bonds (distance) C4'-P energy: -84.583
bonds (distance) P-C4' energy: -108.874
flat angles C4'-P-C4' energy: -91.248
flat angles P-C4'-P energy: -58.101
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -453.343499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.343499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.343499 (E_RNA)
where:
Base-Base interactions energy: -147.930
where: short stacking energy: -120.819
Base-Backbone interact. energy: 7.017
local terms energy: -312.430401
where:
bonds (distance) C4'-P energy: -91.862
bonds (distance) P-C4' energy: -113.381
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -70.669
tors. eta vs tors. theta energy: 29.778
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: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2148.150500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.150500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.150500 (E_RNA)
where:
Base-Base interactions energy: -1466.088
where: short stacking energy: -613.562
Base-Backbone interact. energy: -4.677
local terms energy: -677.385279
where:
bonds (distance) C4'-P energy: -113.868
bonds (distance) P-C4' energy: -138.319
flat angles C4'-P-C4' energy: -135.826
flat angles P-C4'-P energy: -103.148
tors. eta vs tors. theta energy: -186.225
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: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2051.152086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.152086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.152086 (E_RNA)
where:
Base-Base interactions energy: -1380.533
where: short stacking energy: -572.357
Base-Backbone interact. energy: -3.161
local terms energy: -667.457691
where:
bonds (distance) C4'-P energy: -119.573
bonds (distance) P-C4' energy: -129.874
flat angles C4'-P-C4' energy: -138.210
flat angles P-C4'-P energy: -80.596
tors. eta vs tors. theta energy: -199.205
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: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1928.351769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.351769 (E_RNA)
where:
Base-Base interactions energy: -1321.272
where: short stacking energy: -497.439
Base-Backbone interact. energy: 1.371
local terms energy: -608.450650
where:
bonds (distance) C4'-P energy: -115.739
bonds (distance) P-C4' energy: -129.514
flat angles C4'-P-C4' energy: -127.820
flat angles P-C4'-P energy: -81.806
tors. eta vs tors. theta energy: -153.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1947.905129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.905129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.905129 (E_RNA)
where:
Base-Base interactions energy: -1365.849
where: short stacking energy: -549.279
Base-Backbone interact. energy: -2.249
local terms energy: -579.807440
where:
bonds (distance) C4'-P energy: -96.697
bonds (distance) P-C4' energy: -109.584
flat angles C4'-P-C4' energy: -131.743
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: -162.983
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: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1683.741402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.741402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.741402 (E_RNA)
where:
Base-Base interactions energy: -1120.776
where: short stacking energy: -495.449
Base-Backbone interact. energy: -1.561
local terms energy: -561.404595
where:
bonds (distance) C4'-P energy: -103.168
bonds (distance) P-C4' energy: -107.218
flat angles C4'-P-C4' energy: -119.897
flat angles P-C4'-P energy: -87.215
tors. eta vs tors. theta energy: -143.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1641.957686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.957686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.957686 (E_RNA)
where:
Base-Base interactions energy: -1081.384
where: short stacking energy: -469.880
Base-Backbone interact. energy: -1.344
local terms energy: -559.229033
where:
bonds (distance) C4'-P energy: -113.328
bonds (distance) P-C4' energy: -114.169
flat angles C4'-P-C4' energy: -116.726
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -137.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1427.463463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.463463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.463463 (E_RNA)
where:
Base-Base interactions energy: -924.902
where: short stacking energy: -398.851
Base-Backbone interact. energy: -4.495
local terms energy: -498.067230
where:
bonds (distance) C4'-P energy: -107.279
bonds (distance) P-C4' energy: -108.340
flat angles C4'-P-C4' energy: -111.507
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -112.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1052.417304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.417304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.417304 (E_RNA)
where:
Base-Base interactions energy: -638.985
where: short stacking energy: -293.846
Base-Backbone interact. energy: -0.456
local terms energy: -412.976594
where:
bonds (distance) C4'-P energy: -103.384
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -85.321
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -59.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -702.968037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.968037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.968037 (E_RNA)
where:
Base-Base interactions energy: -349.068
where: short stacking energy: -207.094
Base-Backbone interact. energy: -1.424
local terms energy: -352.475856
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -91.812
flat angles C4'-P-C4' energy: -72.415
flat angles P-C4'-P energy: -71.884
tors. eta vs tors. theta energy: -29.363
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: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -461.625203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.625203 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -123.570
Base-Backbone interact. energy: -0.367
local terms energy: -301.945106
where:
bonds (distance) C4'-P energy: -112.579
bonds (distance) P-C4' energy: -99.526
flat angles C4'-P-C4' energy: -78.775
flat angles P-C4'-P energy: -49.422
tors. eta vs tors. theta energy: 38.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2126.898794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.898794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.898794 (E_RNA)
where:
Base-Base interactions energy: -1488.595
where: short stacking energy: -594.892
Base-Backbone interact. energy: -0.445
local terms energy: -637.858879
where:
bonds (distance) C4'-P energy: -117.137
bonds (distance) P-C4' energy: -126.981
flat angles C4'-P-C4' energy: -134.824
flat angles P-C4'-P energy: -93.175
tors. eta vs tors. theta energy: -165.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2068.564967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.564967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.564967 (E_RNA)
where:
Base-Base interactions energy: -1402.949
where: short stacking energy: -609.831
Base-Backbone interact. energy: 0.484
local terms energy: -666.100000
where:
bonds (distance) C4'-P energy: -115.959
bonds (distance) P-C4' energy: -120.282
flat angles C4'-P-C4' energy: -148.075
flat angles P-C4'-P energy: -97.664
tors. eta vs tors. theta energy: -184.120
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1954.991232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.991232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.991232 (E_RNA)
where:
Base-Base interactions energy: -1332.129
where: short stacking energy: -543.948
Base-Backbone interact. energy: -1.791
local terms energy: -621.070735
where:
bonds (distance) C4'-P energy: -111.976
bonds (distance) P-C4' energy: -127.154
flat angles C4'-P-C4' energy: -130.285
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -166.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1912.675625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.675625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.675625 (E_RNA)
where:
Base-Base interactions energy: -1347.595
where: short stacking energy: -523.992
Base-Backbone interact. energy: -1.917
local terms energy: -563.163264
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -109.837
flat angles C4'-P-C4' energy: -121.723
flat angles P-C4'-P energy: -78.367
tors. eta vs tors. theta energy: -151.331
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: 479
Temperature: 1.100000
Total energy: -1691.432929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.432929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.432929 (E_RNA)
where:
Base-Base interactions energy: -1116.235
where: short stacking energy: -460.850
Base-Backbone interact. energy: -0.154
local terms energy: -575.044033
where:
bonds (distance) C4'-P energy: -114.022
bonds (distance) P-C4' energy: -115.009
flat angles C4'-P-C4' energy: -126.800
flat angles P-C4'-P energy: -82.557
tors. eta vs tors. theta energy: -136.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1642.571618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.571618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.571618 (E_RNA)
where:
Base-Base interactions energy: -1089.046
where: short stacking energy: -474.001
Base-Backbone interact. energy: -0.529
local terms energy: -552.996328
where:
bonds (distance) C4'-P energy: -100.672
bonds (distance) P-C4' energy: -128.640
flat angles C4'-P-C4' energy: -115.177
flat angles P-C4'-P energy: -67.379
tors. eta vs tors. theta energy: -141.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1445.083796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.083796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.083796 (E_RNA)
where:
Base-Base interactions energy: -931.319
where: short stacking energy: -418.221
Base-Backbone interact. energy: -0.477
local terms energy: -513.288034
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -112.043
flat angles C4'-P-C4' energy: -102.737
flat angles P-C4'-P energy: -73.745
tors. eta vs tors. theta energy: -126.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1088.306668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.306668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.306668 (E_RNA)
where:
Base-Base interactions energy: -681.480
where: short stacking energy: -302.545
Base-Backbone interact. energy: 2.906
local terms energy: -409.732188
where:
bonds (distance) C4'-P energy: -102.867
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -90.133
flat angles P-C4'-P energy: -63.320
tors. eta vs tors. theta energy: -58.218
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: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -686.861061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.861061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.861061 (E_RNA)
where:
Base-Base interactions energy: -337.744
where: short stacking energy: -203.300
Base-Backbone interact. energy: 2.575
local terms energy: -351.692545
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -82.514
flat angles P-C4'-P energy: -59.685
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -453.899918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.899918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.899918 (E_RNA)
where:
Base-Base interactions energy: -153.239
where: short stacking energy: -126.862
Base-Backbone interact. energy: 0.803
local terms energy: -301.464318
where:
bonds (distance) C4'-P energy: -91.916
bonds (distance) P-C4' energy: -99.023
flat angles C4'-P-C4' energy: -71.240
flat angles P-C4'-P energy: -56.378
tors. eta vs tors. theta energy: 17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2111.236578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.236578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.236578 (E_RNA)
where:
Base-Base interactions energy: -1443.773
where: short stacking energy: -583.327
Base-Backbone interact. energy: -3.017
local terms energy: -664.446312
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -130.416
flat angles C4'-P-C4' energy: -135.803
flat angles P-C4'-P energy: -103.195
tors. eta vs tors. theta energy: -170.160
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: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2106.350574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.350574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.350574 (E_RNA)
where:
Base-Base interactions energy: -1430.881
where: short stacking energy: -596.021
Base-Backbone interact. energy: -2.980
local terms energy: -672.489482
where:
bonds (distance) C4'-P energy: -118.697
bonds (distance) P-C4' energy: -124.291
flat angles C4'-P-C4' energy: -141.150
flat angles P-C4'-P energy: -89.961
tors. eta vs tors. theta energy: -198.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2015.311727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.311727 (E_RNA)
where:
Base-Base interactions energy: -1403.020
where: short stacking energy: -535.306
Base-Backbone interact. energy: 1.678
local terms energy: -613.969680
where:
bonds (distance) C4'-P energy: -107.731
bonds (distance) P-C4' energy: -118.275
flat angles C4'-P-C4' energy: -130.286
flat angles P-C4'-P energy: -95.745
tors. eta vs tors. theta energy: -161.932
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: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1882.114292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.114292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.114292 (E_RNA)
where:
Base-Base interactions energy: -1288.322
where: short stacking energy: -534.904
Base-Backbone interact. energy: -0.750
local terms energy: -593.042740
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -127.264
flat angles C4'-P-C4' energy: -123.391
flat angles P-C4'-P energy: -82.908
tors. eta vs tors. theta energy: -158.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1678.046543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.046543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.046543 (E_RNA)
where:
Base-Base interactions energy: -1121.851
where: short stacking energy: -488.748
Base-Backbone interact. energy: -0.524
local terms energy: -555.672178
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -111.856
flat angles C4'-P-C4' energy: -117.793
flat angles P-C4'-P energy: -68.131
tors. eta vs tors. theta energy: -146.563
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1655.252347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.252347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.252347 (E_RNA)
where:
Base-Base interactions energy: -1137.092
where: short stacking energy: -487.021
Base-Backbone interact. energy: -1.977
local terms energy: -516.183734
where:
bonds (distance) C4'-P energy: -95.912
bonds (distance) P-C4' energy: -87.782
flat angles C4'-P-C4' energy: -119.975
flat angles P-C4'-P energy: -85.864
tors. eta vs tors. theta energy: -126.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1423.362717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.362717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.362717 (E_RNA)
where:
Base-Base interactions energy: -947.736
where: short stacking energy: -402.237
Base-Backbone interact. energy: -1.483
local terms energy: -474.143434
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -65.473
tors. eta vs tors. theta energy: -95.408
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: 480
Temperature: 1.250000
Total energy: -1095.696872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.696872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.696872 (E_RNA)
where:
Base-Base interactions energy: -659.730
where: short stacking energy: -316.386
Base-Backbone interact. energy: 0.159
local terms energy: -436.125710
where:
bonds (distance) C4'-P energy: -91.337
bonds (distance) P-C4' energy: -97.136
flat angles C4'-P-C4' energy: -114.942
flat angles P-C4'-P energy: -54.806
tors. eta vs tors. theta energy: -77.904
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: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -691.893107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.893107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.893107 (E_RNA)
where:
Base-Base interactions energy: -350.579
where: short stacking energy: -180.972
Base-Backbone interact. energy: -2.987
local terms energy: -338.327371
where:
bonds (distance) C4'-P energy: -94.129
bonds (distance) P-C4' energy: -99.584
flat angles C4'-P-C4' energy: -102.561
flat angles P-C4'-P energy: -57.888
tors. eta vs tors. theta energy: 15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -451.064851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.064851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.064851 (E_RNA)
where:
Base-Base interactions energy: -131.545
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.501
local terms energy: -319.019485
where:
bonds (distance) C4'-P energy: -97.151
bonds (distance) P-C4' energy: -102.061
flat angles C4'-P-C4' energy: -104.270
flat angles P-C4'-P energy: -60.484
tors. eta vs tors. theta energy: 44.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2134.640027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.640027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.640027 (E_RNA)
where:
Base-Base interactions energy: -1491.290
where: short stacking energy: -617.197
Base-Backbone interact. energy: -5.302
local terms energy: -638.048086
where:
bonds (distance) C4'-P energy: -118.248
bonds (distance) P-C4' energy: -128.954
flat angles C4'-P-C4' energy: -120.624
flat angles P-C4'-P energy: -89.770
tors. eta vs tors. theta energy: -180.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2095.441490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.441490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.441490 (E_RNA)
where:
Base-Base interactions energy: -1443.449
where: short stacking energy: -589.020
Base-Backbone interact. energy: -0.427
local terms energy: -651.565582
where:
bonds (distance) C4'-P energy: -119.822
bonds (distance) P-C4' energy: -119.217
flat angles C4'-P-C4' energy: -137.423
flat angles P-C4'-P energy: -78.464
tors. eta vs tors. theta energy: -196.639
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: 481
Temperature: 1.000000
Total energy: -2005.738344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.738344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.738344 (E_RNA)
where:
Base-Base interactions energy: -1379.792
where: short stacking energy: -555.518
Base-Backbone interact. energy: -3.195
local terms energy: -622.751318
where:
bonds (distance) C4'-P energy: -113.383
bonds (distance) P-C4' energy: -121.914
flat angles C4'-P-C4' energy: -130.604
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -176.284
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: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1898.605478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.605478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.605478 (E_RNA)
where:
Base-Base interactions energy: -1287.995
where: short stacking energy: -551.081
Base-Backbone interact. energy: -3.565
local terms energy: -607.045488
where:
bonds (distance) C4'-P energy: -107.540
bonds (distance) P-C4' energy: -115.048
flat angles C4'-P-C4' energy: -138.193
flat angles P-C4'-P energy: -86.297
tors. eta vs tors. theta energy: -159.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1686.199984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.199984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.199984 (E_RNA)
where:
Base-Base interactions energy: -1087.192
where: short stacking energy: -467.350
Base-Backbone interact. energy: -1.202
local terms energy: -597.806645
where:
bonds (distance) C4'-P energy: -130.036
bonds (distance) P-C4' energy: -97.436
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -91.790
tors. eta vs tors. theta energy: -144.569
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: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1645.938863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.938863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.938863 (E_RNA)
where:
Base-Base interactions energy: -1086.656
where: short stacking energy: -442.610
Base-Backbone interact. energy: -1.611
local terms energy: -557.671749
where:
bonds (distance) C4'-P energy: -124.174
bonds (distance) P-C4' energy: -109.883
flat angles C4'-P-C4' energy: -109.081
flat angles P-C4'-P energy: -82.687
tors. eta vs tors. theta energy: -131.847
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: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1510.196833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.196833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.196833 (E_RNA)
where:
Base-Base interactions energy: -1016.046
where: short stacking energy: -432.232
Base-Backbone interact. energy: 7.580
local terms energy: -501.730353
where:
bonds (distance) C4'-P energy: -109.814
bonds (distance) P-C4' energy: -103.110
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -66.723
tors. eta vs tors. theta energy: -108.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1024.206090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.206090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.206090 (E_RNA)
where:
Base-Base interactions energy: -618.481
where: short stacking energy: -269.232
Base-Backbone interact. energy: 0.305
local terms energy: -406.030259
where:
bonds (distance) C4'-P energy: -96.567
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -111.102
flat angles P-C4'-P energy: -57.874
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -771.164111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.164111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.164111 (E_RNA)
where:
Base-Base interactions energy: -395.518
where: short stacking energy: -190.277
Base-Backbone interact. energy: -1.096
local terms energy: -374.550147
where:
bonds (distance) C4'-P energy: -103.198
bonds (distance) P-C4' energy: -118.161
flat angles C4'-P-C4' energy: -93.994
flat angles P-C4'-P energy: -59.866
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -492.134411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.134411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.134411 (E_RNA)
where:
Base-Base interactions energy: -166.435
where: short stacking energy: -153.411
Base-Backbone interact. energy: -0.725
local terms energy: -324.974585
where:
bonds (distance) C4'-P energy: -91.635
bonds (distance) P-C4' energy: -115.787
flat angles C4'-P-C4' energy: -90.564
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: 19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2146.009805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.009805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.009805 (E_RNA)
where:
Base-Base interactions energy: -1485.449
where: short stacking energy: -612.975
Base-Backbone interact. energy: -4.878
local terms energy: -655.682154
where:
bonds (distance) C4'-P energy: -107.828
bonds (distance) P-C4' energy: -121.789
flat angles C4'-P-C4' energy: -142.685
flat angles P-C4'-P energy: -98.080
tors. eta vs tors. theta energy: -185.300
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: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2104.204672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.204672 (E_RNA)
where:
Base-Base interactions energy: -1455.145
where: short stacking energy: -617.935
Base-Backbone interact. energy: 2.001
local terms energy: -651.060542
where:
bonds (distance) C4'-P energy: -108.563
bonds (distance) P-C4' energy: -113.713
flat angles C4'-P-C4' energy: -142.538
flat angles P-C4'-P energy: -88.542
tors. eta vs tors. theta energy: -197.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2007.299129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.299129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.299129 (E_RNA)
where:
Base-Base interactions energy: -1400.929
where: short stacking energy: -551.942
Base-Backbone interact. energy: -2.779
local terms energy: -603.591319
where:
bonds (distance) C4'-P energy: -126.859
bonds (distance) P-C4' energy: -106.890
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -77.570
tors. eta vs tors. theta energy: -163.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1909.631640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.631640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.631640 (E_RNA)
where:
Base-Base interactions energy: -1294.411
where: short stacking energy: -518.574
Base-Backbone interact. energy: -1.129
local terms energy: -614.092019
where:
bonds (distance) C4'-P energy: -115.525
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -81.683
tors. eta vs tors. theta energy: -166.369
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: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1717.256930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.256930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.256930 (E_RNA)
where:
Base-Base interactions energy: -1142.498
where: short stacking energy: -486.076
Base-Backbone interact. energy: -1.388
local terms energy: -573.371524
where:
bonds (distance) C4'-P energy: -112.490
bonds (distance) P-C4' energy: -105.725
flat angles C4'-P-C4' energy: -128.229
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -160.180
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: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1629.362760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.362760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.362760 (E_RNA)
where:
Base-Base interactions energy: -1090.203
where: short stacking energy: -462.718
Base-Backbone interact. energy: -2.071
local terms energy: -537.088632
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -112.183
flat angles C4'-P-C4' energy: -118.966
flat angles P-C4'-P energy: -79.043
tors. eta vs tors. theta energy: -129.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1446.241145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.241145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.241145 (E_RNA)
where:
Base-Base interactions energy: -947.002
where: short stacking energy: -398.030
Base-Backbone interact. energy: -1.444
local terms energy: -497.795609
where:
bonds (distance) C4'-P energy: -93.179
bonds (distance) P-C4' energy: -121.379
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -74.724
tors. eta vs tors. theta energy: -95.958
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: 482
Temperature: 1.250000
Total energy: -982.672050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.672050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.672050 (E_RNA)
where:
Base-Base interactions energy: -554.960
where: short stacking energy: -274.114
Base-Backbone interact. energy: -4.303
local terms energy: -423.409074
where:
bonds (distance) C4'-P energy: -95.980
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -93.393
flat angles P-C4'-P energy: -70.523
tors. eta vs tors. theta energy: -46.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -741.074475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.074475 (E_RNA)
where:
Base-Base interactions energy: -396.164
where: short stacking energy: -222.294
Base-Backbone interact. energy: -2.804
local terms energy: -342.106649
where:
bonds (distance) C4'-P energy: -96.869
bonds (distance) P-C4' energy: -108.712
flat angles C4'-P-C4' energy: -95.275
flat angles P-C4'-P energy: -38.184
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -481.182329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.182329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.182329 (E_RNA)
where:
Base-Base interactions energy: -173.499
where: short stacking energy: -136.756
Base-Backbone interact. energy: -3.426
local terms energy: -304.257183
where:
bonds (distance) C4'-P energy: -89.806
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -79.785
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: 20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2143.633862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.633862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.633862 (E_RNA)
where:
Base-Base interactions energy: -1506.566
where: short stacking energy: -600.104
Base-Backbone interact. energy: -2.349
local terms energy: -634.718521
where:
bonds (distance) C4'-P energy: -115.823
bonds (distance) P-C4' energy: -123.130
flat angles C4'-P-C4' energy: -129.857
flat angles P-C4'-P energy: -84.403
tors. eta vs tors. theta energy: -181.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2044.425465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.425465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.425465 (E_RNA)
where:
Base-Base interactions energy: -1394.614
where: short stacking energy: -550.456
Base-Backbone interact. energy: -1.511
local terms energy: -648.300509
where:
bonds (distance) C4'-P energy: -121.249
bonds (distance) P-C4' energy: -107.376
flat angles C4'-P-C4' energy: -137.550
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -173.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2064.732342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.732342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.732342 (E_RNA)
where:
Base-Base interactions energy: -1406.203
where: short stacking energy: -608.254
Base-Backbone interact. energy: -2.495
local terms energy: -656.033791
where:
bonds (distance) C4'-P energy: -110.029
bonds (distance) P-C4' energy: -116.908
flat angles C4'-P-C4' energy: -139.621
flat angles P-C4'-P energy: -82.178
tors. eta vs tors. theta energy: -207.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1936.697393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.697393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.697393 (E_RNA)
where:
Base-Base interactions energy: -1330.204
where: short stacking energy: -543.502
Base-Backbone interact. energy: -2.796
local terms energy: -603.697734
where:
bonds (distance) C4'-P energy: -95.132
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -136.344
flat angles P-C4'-P energy: -86.048
tors. eta vs tors. theta energy: -172.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1736.780630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.780630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.780630 (E_RNA)
where:
Base-Base interactions energy: -1165.955
where: short stacking energy: -485.807
Base-Backbone interact. energy: -1.371
local terms energy: -569.454332
where:
bonds (distance) C4'-P energy: -111.925
bonds (distance) P-C4' energy: -128.945
flat angles C4'-P-C4' energy: -111.483
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -147.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1611.416718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.416718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.416718 (E_RNA)
where:
Base-Base interactions energy: -1061.475
where: short stacking energy: -446.067
Base-Backbone interact. energy: -2.057
local terms energy: -547.885640
where:
bonds (distance) C4'-P energy: -106.372
bonds (distance) P-C4' energy: -102.833
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -85.108
tors. eta vs tors. theta energy: -123.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1487.796457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.796457 (E_RNA)
where:
Base-Base interactions energy: -985.757
where: short stacking energy: -391.710
Base-Backbone interact. energy: -3.189
local terms energy: -498.850351
where:
bonds (distance) C4'-P energy: -97.511
bonds (distance) P-C4' energy: -100.252
flat angles C4'-P-C4' energy: -121.269
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -109.177
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: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -929.505991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.505991 (E_RNA)
where:
Base-Base interactions energy: -544.090
where: short stacking energy: -266.037
Base-Backbone interact. energy: 0.197
local terms energy: -385.612836
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -110.955
flat angles C4'-P-C4' energy: -79.624
flat angles P-C4'-P energy: -59.325
tors. eta vs tors. theta energy: -38.985
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: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -737.842304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.842304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.842304 (E_RNA)
where:
Base-Base interactions energy: -405.116
where: short stacking energy: -195.382
Base-Backbone interact. energy: -2.679
local terms energy: -330.046869
where:
bonds (distance) C4'-P energy: -80.922
bonds (distance) P-C4' energy: -102.541
flat angles C4'-P-C4' energy: -98.705
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: 17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -472.329395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.329395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.329395 (E_RNA)
where:
Base-Base interactions energy: -168.613
where: short stacking energy: -139.146
Base-Backbone interact. energy: 2.523
local terms energy: -306.239432
where:
bonds (distance) C4'-P energy: -96.451
bonds (distance) P-C4' energy: -118.811
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: 23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/test1-c6eeca96_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE